# created by ASDP Version 1.0 Copyright(C) 2010 # Fri May 10 23:40:17 2013 # Command: /farm/software/asdp/asdp-1.0-release/bin//../bin/noesyassign # -c /data/PSVS/PSVS-v1.4-dev/results/SRR115C_R3Cons_em_bcr3/rpf_calc/input/ctrl_file # -o rpf_calc # -q SRR115C_R3Cons_em_bcr3.pdb.iupac # Summary for n.peaks Total simulated peaks: 137 Number of peaks NOT matched in the Peak List: 0 M score = 0 Average shift in HX: -3e-05 Average ab-shift in HX: 0.0027(Assignment used: 100) Average shift in X: -0.0063 Average ab-shift in X: 0.029(Assignment used: 97) Average shift in HX2: 6.6e-05 Average ab-shift in HX2: 0.0031(Assignment used: 137) #For peaklist n.peaks: Rmax: 5 Model ave Inconsistent score: 0.103(214/2076) Model 1 Inconsistent score: 0.109(227/2076) Model 2 Inconsistent score: 0.106(221/2076) Model 3 Inconsistent score: 0.105(217/2076) Model 4 Inconsistent score: 0.11(229/2076) Model 5 Inconsistent score: 0.107(223/2076) Model 6 Inconsistent score: 0.106(220/2076) Model 7 Inconsistent score: 0.106(220/2076) Model 8 Inconsistent score: 0.104(216/2076) Model 9 Inconsistent score: 0.105(219/2076) Model 10 Inconsistent score: 0.109(226/2076) Model 11 Inconsistent score: 0.108(224/2076) Model 12 Inconsistent score: 0.107(223/2076) Model 13 Inconsistent score: 0.105(219/2076) Model 14 Inconsistent score: 0.108(225/2076) Model 15 Inconsistent score: 0.106(220/2076) Model 16 Inconsistent score: 0.108(224/2076) Model 17 Inconsistent score: 0.105(218/2076) Model 18 Inconsistent score: 0.106(220/2076) Model 19 Inconsistent score: 0.107(222/2076) Model 20 Inconsistent score: 0.105(217/2076) Model ave Missing interactions: 0.0867 (138/1592) weighted: 0.00791 (2.69e+04/3.4e+06) <3: 0 (0/152) <3w: 0 (0/7.05e+05) Model 1 Missing interactions: 0.0892 (143/1604) weighted: 0.00979 (3.43e+04/3.5e+06) <3: 0 (0/152) <3w: 0 (0/7.03e+05) Model 2 Missing interactions: 0.0955 (154/1612) weighted: 0.00962 (3.42e+04/3.55e+06) <3: 0 (0/153) <3w: 0 (0/7.09e+05) Model 3 Missing interactions: 0.0938 (151/1609) weighted: 0.00964 (3.41e+04/3.54e+06) <3: 0 (0/153) <3w: 0 (0/7.19e+05) Model 4 Missing interactions: 0.0918 (145/1580) weighted: 0.00976 (3.42e+04/3.5e+06) <3: 0 (0/152) <3w: 0 (0/7.05e+05) Model 5 Missing interactions: 0.0967 (155/1603) weighted: 0.00917 (3.2e+04/3.49e+06) <3: 0 (0/151) <3w: 0 (0/7e+05) Model 6 Missing interactions: 0.092 (147/1597) weighted: 0.0106 (3.71e+04/3.51e+06) <3: 0 (0/152) <3w: 0 (0/7.12e+05) Model 7 Missing interactions: 0.0885 (141/1593) weighted: 0.00858 (3.01e+04/3.51e+06) <3: 0 (0/153) <3w: 0 (0/7.02e+05) Model 8 Missing interactions: 0.0916 (147/1605) weighted: 0.0103 (3.68e+04/3.59e+06) <3: 0 (0/149) <3w: 0 (0/7.19e+05) Model 9 Missing interactions: 0.0921 (147/1596) weighted: 0.0125 (4.38e+04/3.51e+06) <3: 0 (0/149) <3w: 0 (0/7.12e+05) Model 10 Missing interactions: 0.0888 (141/1588) weighted: 0.00965 (3.35e+04/3.48e+06) <3: 0 (0/151) <3w: 0 (0/7.04e+05) Model 11 Missing interactions: 0.0954 (153/1604) weighted: 0.00929 (3.29e+04/3.54e+06) <3: 0 (0/152) <3w: 0 (0/7.03e+05) Model 12 Missing interactions: 0.097 (157/1618) weighted: 0.0104 (3.68e+04/3.53e+06) <3: 0 (0/152) <3w: 0 (0/7.07e+05) Model 13 Missing interactions: 0.0886 (142/1602) weighted: 0.00947 (3.33e+04/3.52e+06) <3: 0 (0/152) <3w: 0 (0/7.21e+05) Model 14 Missing interactions: 0.0883 (139/1575) weighted: 0.00814 (2.87e+04/3.53e+06) <3: 0 (0/153) <3w: 0 (0/7.09e+05) Model 15 Missing interactions: 0.0944 (152/1611) weighted: 0.0106 (3.77e+04/3.56e+06) <3: 0 (0/151) <3w: 0 (0/6.98e+05) Model 16 Missing interactions: 0.0901 (143/1588) weighted: 0.00872 (3.07e+04/3.53e+06) <3: 0 (0/151) <3w: 0 (0/7.04e+05) Model 17 Missing interactions: 0.0903 (145/1605) weighted: 0.00986 (3.49e+04/3.54e+06) <3: 0 (0/151) <3w: 0 (0/6.97e+05) Model 18 Missing interactions: 0.094 (151/1606) weighted: 0.0117 (4.09e+04/3.5e+06) <3: 0 (0/150) <3w: 0 (0/6.99e+05) Model 19 Missing interactions: 0.0983 (159/1618) weighted: 0.0107 (3.75e+04/3.5e+06) <3: 0 (0/151) <3w: 0 (0/6.91e+05) Model 20 Missing interactions: 0.0956 (154/1611) weighted: 0.0104 (3.61e+04/3.49e+06) <3: 0 (0/151) <3w: 0 (0/7.06e+05) Model ave Recall: 0.897 Precision: all: 0.913 allw: 0.992 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.905 F-measure:(Recall,PrecisionW) 0.942 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 1 Recall: 0.891 Precision: all: 0.911 allw: 0.99 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.901 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 2 Recall: 0.894 Precision: all: 0.904 allw: 0.99 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.899 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 3 Recall: 0.895 Precision: all: 0.906 allw: 0.99 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.901 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 4 Recall: 0.89 Precision: all: 0.908 allw: 0.99 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.899 F-measure:(Recall,PrecisionW) 0.937 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 5 Recall: 0.893 Precision: all: 0.903 allw: 0.991 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.898 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 6 Recall: 0.894 Precision: all: 0.908 allw: 0.989 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.901 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 7 Recall: 0.894 Precision: all: 0.911 allw: 0.991 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.903 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 8 Recall: 0.896 Precision: all: 0.908 allw: 0.99 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.902 F-measure:(Recall,PrecisionW) 0.941 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 9 Recall: 0.895 Precision: all: 0.908 allw: 0.988 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.901 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 10 Recall: 0.891 Precision: all: 0.911 allw: 0.99 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.901 F-measure:(Recall,PrecisionW) 0.938 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 11 Recall: 0.892 Precision: all: 0.905 allw: 0.991 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.898 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 12 Recall: 0.893 Precision: all: 0.903 allw: 0.99 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.898 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 13 Recall: 0.895 Precision: all: 0.911 allw: 0.991 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.903 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 14 Recall: 0.892 Precision: all: 0.912 allw: 0.992 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.902 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 15 Recall: 0.894 Precision: all: 0.906 allw: 0.989 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.9 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 16 Recall: 0.892 Precision: all: 0.91 allw: 0.991 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.901 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 17 Recall: 0.895 Precision: all: 0.91 allw: 0.99 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.902 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 18 Recall: 0.894 Precision: all: 0.906 allw: 0.988 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.9 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 19 Recall: 0.893 Precision: all: 0.902 allw: 0.989 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.897 F-measure:(Recall,PrecisionW) 0.939 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 Model 20 Recall: 0.895 Precision: all: 0.904 allw: 0.99 <3: 1 <3w: 1 F-measure:(Recall,Precision) 0.9 F-measure:(Recall,PrecisionW) 0.94 F-measure:(0,PrecisionIdeal) 1 F-measure:(0,PrecisionIdealW) 1 For freely-rotating-chain model: Model ave Inconsistent score: 0.462(959/2076) Model ave Missing interactions: 0.0449 (32/712) weighted: 0.0119 (4.7e+03/3.95e+05) <3: 0 (0/135) <3w: 0 (0/2.04e+05) Recall: 0.538 Precision: all: 0.955 allw: 0.988 F-measure:(RecallFree,PrecisionFree) 0.688 F-measure:(ReallFree,PrecisionFreeW) 0.697 # Summary for c_aro.peaks Total simulated peaks: 22 Number of peaks NOT matched in the Peak List: 0 M score = 0 Average shift in HX: -0.0013 Average ab-shift in HX: 0.002(Assignment used: 11) Average shift in X: 0.0073 Average ab-shift in X: 0.027(Assignment used: 11) Average shift in HX2: -0.0013 Average ab-shift in HX2: 0.0026(Assignment used: 22) #For peaklist c_aro.peaks: Rmax: 5 Model ave Inconsistent score: 0.112(35/313) Model 1 Inconsistent score: 0.134(42/313) Model 2 Inconsistent score: 0.15(47/313) Model 3 Inconsistent score: 0.125(39/313) Model 4 Inconsistent score: 0.112(35/313) Model 5 Inconsistent score: 0.115(36/313) Model 6 Inconsistent score: 0.112(35/313) Model 7 Inconsistent score: 0.125(39/313) Model 8 Inconsistent score: 0.112(35/313) Model 9 Inconsistent score: 0.137(43/313) Model 10 Inconsistent score: 0.118(37/313) Model 11 Inconsistent score: 0.115(36/313) Model 12 Inconsistent score: 0.147(46/313) Model 13 Inconsistent score: 0.121(38/313) Model 14 Inconsistent score: 0.121(38/313) Model 15 Inconsistent score: 0.137(43/313) Model 16 Inconsistent score: 0.128(40/313) Model 17 Inconsistent score: 0.141(44/313) Model 18 Inconsistent score: 0.109(34/313) Model 19 Inconsistent score: 0.141(44/313) Model 20 Inconsistent score: 0.112(35/313) Model ave Missing interactions: 0.399 (167/419) weighted: 0.158 (8.28e+04/5.23e+05) <3: 0.2 (2/10) <3w: 0.00606 (344/5.68e+04) Model 1 Missing interactions: 0.391 (159/407) weighted: 0.151 (9.46e+04/6.25e+05) <3: 0.182 (2/11) <3w: 0.00601 (344/5.73e+04) Model 2 Missing interactions: 0.414 (175/423) weighted: 0.145 (9.62e+04/6.63e+05) <3: 0.2 (2/10) <3w: 0.00626 (344/5.5e+04) Model 3 Missing interactions: 0.391 (161/412) weighted: 0.144 (8.98e+04/6.25e+05) <3: 0.2 (2/10) <3w: 0.00625 (344/5.5e+04) Model 4 Missing interactions: 0.394 (163/414) weighted: 0.167 (1.02e+05/6.1e+05) <3: 0.182 (2/11) <3w: 0.00623 (344/5.52e+04) Model 5 Missing interactions: 0.382 (158/414) weighted: 0.188 (1.13e+05/6.05e+05) <3: 0.2 (2/10) <3w: 0.00586 (344/5.88e+04) Model 6 Missing interactions: 0.399 (165/414) weighted: 0.159 (9.67e+04/6.07e+05) <3: 0.182 (2/11) <3w: 0.00601 (344/5.73e+04) Model 7 Missing interactions: 0.395 (165/418) weighted: 0.162 (9.96e+04/6.13e+05) <3: 0.182 (2/11) <3w: 0.00601 (344/5.73e+04) Model 8 Missing interactions: 0.376 (155/412) weighted: 0.153 (8.69e+04/5.69e+05) <3: 0.222 (2/9) <3w: 0.00615 (344/5.6e+04) Model 9 Missing interactions: 0.41 (172/420) weighted: 0.171 (1.13e+05/6.6e+05) <3: 0.222 (2/9) <3w: 0.00615 (344/5.6e+04) Model 10 Missing interactions: 0.397 (167/421) weighted: 0.145 (9.09e+04/6.28e+05) <3: 0.2 (2/10) <3w: 0.00614 (344/5.6e+04) Model 11 Missing interactions: 0.402 (170/423) weighted: 0.142 (8.78e+04/6.17e+05) <3: 0.182 (2/11) <3w: 0.00624 (344/5.52e+04) Model 12 Missing interactions: 0.413 (170/412) weighted: 0.163 (1.06e+05/6.53e+05) <3: 0.182 (2/11) <3w: 0.00623 (344/5.52e+04) Model 13 Missing interactions: 0.386 (159/412) weighted: 0.149 (9.21e+04/6.19e+05) <3: 0.2 (2/10) <3w: 0.00614 (344/5.61e+04) Model 14 Missing interactions: 0.398 (165/415) weighted: 0.161 (9.8e+04/6.09e+05) <3: 0.182 (2/11) <3w: 0.00607 (344/5.67e+04) Model 15 Missing interactions: 0.418 (181/433) weighted: 0.157 (1.05e+05/6.72e+05) <3: 0.2 (2/10) <3w: 0.00614 (344/5.61e+04) Model 16 Missing interactions: 0.417 (177/424) weighted: 0.152 (9.95e+04/6.53e+05) <3: 0.2 (2/10) <3w: 0.00614 (344/5.6e+04) Model 17 Missing interactions: 0.411 (172/418) weighted: 0.145 (8.9e+04/6.15e+05) <3: 0.2 (2/10) <3w: 0.00614 (344/5.61e+04) Model 18 Missing interactions: 0.387 (161/416) weighted: 0.17 (1.01e+05/5.95e+05) <3: 0.222 (2/9) <3w: 0.00626 (344/5.5e+04) Model 19 Missing interactions: 0.395 (162/410) weighted: 0.18 (1.09e+05/6.05e+05) <3: 0.2 (2/10) <3w: 0.00602 (344/5.72e+04) Model 20 Missing interactions: 0.392 (166/423) weighted: 0.171 (1.04e+05/6.06e+05) <3: 0.2 (2/10) <3w: 0.00612 (344/5.62e+04) Model ave Recall: 0.888 Precision: all: 0.601 allw: 0.842 <3: 0.8 <3w: 0.994 F-measure:(Recall,Precision) 0.717 F-measure:(Recall,PrecisionW) 0.864 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.997 Model 1 Recall: 0.866 Precision: all: 0.609 allw: 0.849 <3: 0.818 <3w: 0.994 F-measure:(Recall,Precision) 0.715 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.997 Model 2 Recall: 0.85 Precision: all: 0.586 allw: 0.855 <3: 0.8 <3w: 0.994 F-measure:(Recall,Precision) 0.694 F-measure:(Recall,PrecisionW) 0.852 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.997 Model 3 Recall: 0.875 Precision: all: 0.609 allw: 0.856 <3: 0.8 <3w: 0.994 F-measure:(Recall,Precision) 0.718 F-measure:(Recall,PrecisionW) 0.866 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.997 Model 4 Recall: 0.888 Precision: all: 0.606 allw: 0.833 <3: 0.818 <3w: 0.994 F-measure:(Recall,Precision) 0.721 F-measure:(Recall,PrecisionW) 0.86 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.997 Model 5 Recall: 0.885 Precision: all: 0.618 allw: 0.812 <3: 0.8 <3w: 0.994 F-measure:(Recall,Precision) 0.728 F-measure:(Recall,PrecisionW) 0.847 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.997 Model 6 Recall: 0.888 Precision: all: 0.601 allw: 0.841 <3: 0.818 <3w: 0.994 F-measure:(Recall,Precision) 0.717 F-measure:(Recall,PrecisionW) 0.864 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.997 Model 7 Recall: 0.875 Precision: all: 0.605 allw: 0.838 <3: 0.818 <3w: 0.994 F-measure:(Recall,Precision) 0.716 F-measure:(Recall,PrecisionW) 0.856 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.997 Model 8 Recall: 0.888 Precision: all: 0.624 allw: 0.847 <3: 0.778 <3w: 0.994 F-measure:(Recall,Precision) 0.733 F-measure:(Recall,PrecisionW) 0.867 F-measure:(0,PrecisionIdeal) 0.875 F-measure:(0,PrecisionIdealW) 0.997 Model 9 Recall: 0.863 Precision: all: 0.59 allw: 0.829 <3: 0.778 <3w: 0.994 F-measure:(Recall,Precision) 0.701 F-measure:(Recall,PrecisionW) 0.846 F-measure:(0,PrecisionIdeal) 0.875 F-measure:(0,PrecisionIdealW) 0.997 Model 10 Recall: 0.882 Precision: all: 0.603 allw: 0.855 <3: 0.8 <3w: 0.994 F-measure:(Recall,Precision) 0.716 F-measure:(Recall,PrecisionW) 0.868 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.997 Model 11 Recall: 0.885 Precision: all: 0.598 allw: 0.858 <3: 0.818 <3w: 0.994 F-measure:(Recall,Precision) 0.714 F-measure:(Recall,PrecisionW) 0.871 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.997 Model 12 Recall: 0.853 Precision: all: 0.587 allw: 0.837 <3: 0.818 <3w: 0.994 F-measure:(Recall,Precision) 0.696 F-measure:(Recall,PrecisionW) 0.845 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.997 Model 13 Recall: 0.879 Precision: all: 0.614 allw: 0.851 <3: 0.8 <3w: 0.994 F-measure:(Recall,Precision) 0.723 F-measure:(Recall,PrecisionW) 0.865 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.997 Model 14 Recall: 0.879 Precision: all: 0.602 allw: 0.839 <3: 0.818 <3w: 0.994 F-measure:(Recall,Precision) 0.715 F-measure:(Recall,PrecisionW) 0.858 F-measure:(0,PrecisionIdeal) 0.9 F-measure:(0,PrecisionIdealW) 0.997 Model 15 Recall: 0.863 Precision: all: 0.582 allw: 0.843 <3: 0.8 <3w: 0.994 F-measure:(Recall,Precision) 0.695 F-measure:(Recall,PrecisionW) 0.853 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.997 Model 16 Recall: 0.872 Precision: all: 0.583 allw: 0.848 <3: 0.8 <3w: 0.994 F-measure:(Recall,Precision) 0.699 F-measure:(Recall,PrecisionW) 0.86 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.997 Model 17 Recall: 0.859 Precision: all: 0.589 allw: 0.855 <3: 0.8 <3w: 0.994 F-measure:(Recall,Precision) 0.699 F-measure:(Recall,PrecisionW) 0.857 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.997 Model 18 Recall: 0.891 Precision: all: 0.613 allw: 0.83 <3: 0.778 <3w: 0.994 F-measure:(Recall,Precision) 0.726 F-measure:(Recall,PrecisionW) 0.859 F-measure:(0,PrecisionIdeal) 0.875 F-measure:(0,PrecisionIdealW) 0.997 Model 19 Recall: 0.859 Precision: all: 0.605 allw: 0.82 <3: 0.8 <3w: 0.994 F-measure:(Recall,Precision) 0.71 F-measure:(Recall,PrecisionW) 0.839 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.997 Model 20 Recall: 0.888 Precision: all: 0.608 allw: 0.829 <3: 0.8 <3w: 0.994 F-measure:(Recall,Precision) 0.722 F-measure:(Recall,PrecisionW) 0.858 F-measure:(0,PrecisionIdeal) 0.889 F-measure:(0,PrecisionIdealW) 0.997 For freely-rotating-chain model: Model ave Inconsistent score: 0.706(221/313) Model ave Missing interactions: 0.226 (14/62) weighted: 0.19 (2.97e+03/1.56e+04) <3: 0.25 (2/8) <3w: 0.25 (1.86e+03/7.43e+03) Recall: 0.294 Precision: all: 0.774 allw: 0.81 F-measure:(RecallFree,PrecisionFree) 0.426 F-measure:(ReallFree,PrecisionFreeW) 0.431 # Summary for c_ali.peaks Total simulated peaks: 708 Number of peaks NOT matched in the Peak List: 2 M score = 0.0028 Average shift in HX: 0.00035 Average ab-shift in HX: 0.0026(Assignment used: 360) Average shift in X: 0.0041 Average ab-shift in X: 0.034(Assignment used: 274) Average shift in HX2: 0.00031 Average ab-shift in HX2: 0.0027(Assignment used: 448) #For peaklist c_ali.peaks: Rmax: 5 Model ave Inconsistent score: 0.05(242/4839) Model 1 Inconsistent score: 0.0488(236/4839) Model 2 Inconsistent score: 0.0486(235/4839) Model 3 Inconsistent score: 0.049(237/4839) Model 4 Inconsistent score: 0.0488(236/4839) Model 5 Inconsistent score: 0.0482(233/4839) Model 6 Inconsistent score: 0.0475(230/4839) Model 7 Inconsistent score: 0.049(237/4839) Model 8 Inconsistent score: 0.0484(234/4839) Model 9 Inconsistent score: 0.049(237/4839) Model 10 Inconsistent score: 0.0488(236/4839) Model 11 Inconsistent score: 0.0482(233/4839) Model 12 Inconsistent score: 0.0475(230/4839) Model 13 Inconsistent score: 0.0486(235/4839) Model 14 Inconsistent score: 0.0488(236/4839) Model 15 Inconsistent score: 0.0484(234/4839) Model 16 Inconsistent score: 0.0484(234/4839) Model 17 Inconsistent score: 0.0513(248/4839) Model 18 Inconsistent score: 0.0498(241/4839) Model 19 Inconsistent score: 0.0492(238/4839) Model 20 Inconsistent score: 0.0482(233/4839) Model ave Missing interactions: 0.265 (1.16e+03/4362) weighted: 0.0287 (3.71e+05/1.29e+07) <3: 0.00375 (2/533) <3w: 0.0011 (7.11e+03/6.49e+06) Model 1 Missing interactions: 0.267 (1.17e+03/4389) weighted: 0.0331 (4.43e+05/1.34e+07) <3: 0.00376 (2/532) <3w: 0.00104 (6.75e+03/6.5e+06) Model 2 Missing interactions: 0.272 (1.2e+03/4412) weighted: 0.0328 (4.42e+05/1.35e+07) <3: 0.00375 (2/534) <3w: 0.0011 (7.16e+03/6.52e+06) Model 3 Missing interactions: 0.269 (1.18e+03/4392) weighted: 0.0369 (4.95e+05/1.34e+07) <3: 0.00375 (2/534) <3w: 0.00108 (6.99e+03/6.49e+06) Model 4 Missing interactions: 0.269 (1.18e+03/4393) weighted: 0.0304 (4.09e+05/1.34e+07) <3: 0.00376 (2/532) <3w: 0.0011 (7.11e+03/6.49e+06) Model 5 Missing interactions: 0.269 (1.18e+03/4405) weighted: 0.0352 (4.72e+05/1.34e+07) <3: 0.00376 (2/532) <3w: 0.00117 (7.56e+03/6.46e+06) Model 6 Missing interactions: 0.268 (1.18e+03/4396) weighted: 0.0322 (4.3e+05/1.34e+07) <3: 0.00376 (2/532) <3w: 0.00105 (6.83e+03/6.51e+06) Model 7 Missing interactions: 0.268 (1.17e+03/4382) weighted: 0.0336 (4.47e+05/1.33e+07) <3: 0.00375 (2/533) <3w: 0.00114 (7.36e+03/6.48e+06) Model 8 Missing interactions: 0.27 (1.19e+03/4405) weighted: 0.0396 (5.33e+05/1.35e+07) <3: 0.00377 (2/531) <3w: 0.0011 (7.18e+03/6.51e+06) Model 9 Missing interactions: 0.27 (1.19e+03/4409) weighted: 0.034 (4.57e+05/1.34e+07) <3: 0.00377 (2/531) <3w: 0.00104 (6.77e+03/6.5e+06) Model 10 Missing interactions: 0.266 (1.17e+03/4376) weighted: 0.033 (4.39e+05/1.33e+07) <3: 0.00376 (2/532) <3w: 0.00109 (7.05e+03/6.5e+06) Model 11 Missing interactions: 0.269 (1.19e+03/4420) weighted: 0.031 (4.16e+05/1.34e+07) <3: 0.00376 (2/532) <3w: 0.00105 (6.82e+03/6.51e+06) Model 12 Missing interactions: 0.273 (1.21e+03/4447) weighted: 0.0363 (4.92e+05/1.36e+07) <3: 0.00376 (2/532) <3w: 0.0011 (7.14e+03/6.51e+06) Model 13 Missing interactions: 0.268 (1.18e+03/4415) weighted: 0.0338 (4.54e+05/1.34e+07) <3: 0.00375 (2/533) <3w: 0.00106 (6.89e+03/6.49e+06) Model 14 Missing interactions: 0.268 (1.17e+03/4377) weighted: 0.0296 (3.96e+05/1.34e+07) <3: 0.00375 (2/533) <3w: 0.00108 (7.01e+03/6.51e+06) Model 15 Missing interactions: 0.273 (1.2e+03/4407) weighted: 0.0328 (4.44e+05/1.35e+07) <3: 0.00376 (2/532) <3w: 0.00108 (6.95e+03/6.46e+06) Model 16 Missing interactions: 0.268 (1.17e+03/4369) weighted: 0.0313 (4.18e+05/1.34e+07) <3: 0.00376 (2/532) <3w: 0.00107 (6.91e+03/6.47e+06) Model 17 Missing interactions: 0.268 (1.17e+03/4370) weighted: 0.0341 (4.61e+05/1.35e+07) <3: 0.00376 (2/532) <3w: 0.00115 (7.43e+03/6.49e+06) Model 18 Missing interactions: 0.269 (1.17e+03/4362) weighted: 0.0371 (4.95e+05/1.33e+07) <3: 0.00376 (2/532) <3w: 0.00107 (6.89e+03/6.44e+06) Model 19 Missing interactions: 0.269 (1.18e+03/4397) weighted: 0.0336 (4.49e+05/1.34e+07) <3: 0.00376 (2/532) <3w: 0.00115 (7.43e+03/6.44e+06) Model 20 Missing interactions: 0.272 (1.2e+03/4407) weighted: 0.0372 (5.02e+05/1.35e+07) <3: 0.00376 (2/532) <3w: 0.00109 (7.05e+03/6.5e+06) Model ave Recall: 0.95 Precision: all: 0.735 allw: 0.971 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.829 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 1 Recall: 0.951 Precision: all: 0.733 allw: 0.967 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 2 Recall: 0.951 Precision: all: 0.728 allw: 0.967 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.825 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 3 Recall: 0.951 Precision: all: 0.731 allw: 0.963 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 4 Recall: 0.951 Precision: all: 0.731 allw: 0.97 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 5 Recall: 0.952 Precision: all: 0.731 allw: 0.965 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 6 Recall: 0.952 Precision: all: 0.732 allw: 0.968 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 7 Recall: 0.951 Precision: all: 0.732 allw: 0.966 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 8 Recall: 0.952 Precision: all: 0.73 allw: 0.96 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.956 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 9 Recall: 0.951 Precision: all: 0.73 allw: 0.966 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 10 Recall: 0.951 Precision: all: 0.734 allw: 0.967 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 11 Recall: 0.952 Precision: all: 0.731 allw: 0.969 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 12 Recall: 0.952 Precision: all: 0.727 allw: 0.964 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.825 F-measure:(Recall,PrecisionW) 0.958 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 13 Recall: 0.951 Precision: all: 0.732 allw: 0.966 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 14 Recall: 0.951 Precision: all: 0.732 allw: 0.97 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.961 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 15 Recall: 0.952 Precision: all: 0.727 allw: 0.967 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.824 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 16 Recall: 0.952 Precision: all: 0.732 allw: 0.969 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.828 F-measure:(Recall,PrecisionW) 0.96 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 17 Recall: 0.949 Precision: all: 0.732 allw: 0.966 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.826 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 18 Recall: 0.95 Precision: all: 0.731 allw: 0.963 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 19 Recall: 0.951 Precision: all: 0.731 allw: 0.966 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.827 F-measure:(Recall,PrecisionW) 0.959 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 Model 20 Recall: 0.952 Precision: all: 0.728 allw: 0.963 <3: 0.996 <3w: 0.999 F-measure:(Recall,Precision) 0.825 F-measure:(Recall,PrecisionW) 0.957 F-measure:(0,PrecisionIdeal) 0.998 F-measure:(0,PrecisionIdealW) 0.999 For freely-rotating-chain model: Model ave Inconsistent score: 0.402(1947/4839) Model ave Missing interactions: 0.176 (290/1651) weighted: 0.0405 (5.58e+04/1.38e+06) <3: 0.00386 (2/518) <3w: 0.00352 (3.71e+03/1.06e+06) Recall: 0.598 Precision: all: 0.824 allw: 0.959 F-measure:(RecallFree,PrecisionFree) 0.693 F-measure:(ReallFree,PrecisionFreeW) 0.737 Final M-score 0.00231 2/867 Model ave Final Recall-score for input query structures: 0.932 Final Precision-score for input query structures: 0.971 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.951 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.832 Model 1 Final Recall-score for input query structures: 0.93 Final Precision-score for input query structures: 0.967 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.948 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.818 Model 2 Final Recall-score for input query structures: 0.93 Final Precision-score for input query structures: 0.968 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.949 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.825 Model 3 Final Recall-score for input query structures: 0.932 Final Precision-score for input query structures: 0.965 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.948 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.821 Model 4 Final Recall-score for input query structures: 0.931 Final Precision-score for input query structures: 0.969 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.949 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.825 Model 5 Final Recall-score for input query structures: 0.932 Final Precision-score for input query structures: 0.965 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.948 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.821 Model 6 Final Recall-score for input query structures: 0.933 Final Precision-score for input query structures: 0.968 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.95 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.825 Model 7 Final Recall-score for input query structures: 0.931 Final Precision-score for input query structures: 0.967 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.949 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.825 Model 8 Final Recall-score for input query structures: 0.933 Final Precision-score for input query structures: 0.963 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.948 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.821 Model 9 Final Recall-score for input query structures: 0.931 Final Precision-score for input query structures: 0.965 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.948 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.818 Model 10 Final Recall-score for input query structures: 0.931 Final Precision-score for input query structures: 0.968 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.949 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.825 Model 11 Final Recall-score for input query structures: 0.932 Final Precision-score for input query structures: 0.969 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.95 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.825 Model 12 Final Recall-score for input query structures: 0.931 Final Precision-score for input query structures: 0.964 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.947 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.818 Model 13 Final Recall-score for input query structures: 0.932 Final Precision-score for input query structures: 0.967 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.949 F-score of ideal true structures: 1 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.822 Model 14 Final Recall-score for input query structures: 0.931 Final Precision-score for input query structures: 0.97 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.95 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.828 Model 15 Final Recall-score for input query structures: 0.931 Final Precision-score for input query structures: 0.967 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.949 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.825 Model 16 Final Recall-score for input query structures: 0.931 Final Precision-score for input query structures: 0.969 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.95 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.828 Model 17 Final Recall-score for input query structures: 0.929 Final Precision-score for input query structures: 0.967 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.948 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.821 Model 18 Final Recall-score for input query structures: 0.932 Final Precision-score for input query structures: 0.963 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.947 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.818 Model 19 Final Recall-score for input query structures: 0.93 Final Precision-score for input query structures: 0.966 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.948 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.821 Model 20 Final Recall-score for input query structures: 0.933 Final Precision-score for input query structures: 0.963 Final Recall-score for ideal true structures: 1 Final Precision-score for ideal true structures: 0.999 Final Recall-score for freely-rotating-chain model: 0.567 Final Precision-score for freely-rotating-chain model: 0.964 Summary: F-score of input query structures: 0.948 F-score of ideal true structures: 0.999 F-score of freely-rotating-chain model: 0.714 DP-Score: 0.821 Statistics: =========== NOESY_Assign: User CPU Time: 68.9 sec. Syst CPU Time: 1.23 sec. Other Processes: User CPU Time: 0.86 sec. Syst CPU Time: 0.06 sec. Total Elapsed Time: 71.1 sec.