NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
513493 2lb3 17545 cing 1-original 2 XPLOR/CNS distance NOE simple


!From xeasy noes, file d20pin1_smad1pS214_NOPEP                
assign ( resid 18 and segid A  and name HB1 ) ( resid 19 and segid A  and name HN ) 4.7931 2.53315384615385 2.53315384615385   
assign ( resid 38 and segid A  and name HB1 ) ( resid 39 and segid A  and name HN ) 3.9787 1.90669230769231 1.90669230769231   
assign ( resid 40 and segid A  and name HA ) ( resid 41 and segid A  and name HD2 ) 1.7500 0.5 0.5   
assign ( resid 40 and segid A  and name HA ) ( resid 41 and segid A  and name HD1 ) 4.6585 2.42961538461538 2.42961538461538   
assign ( resid 34 and segid A  and name HA ) ( resid 29 and segid A  and name HZ ) 4.0045 1.92653846153846 1.92653846153846   
assign ( resid 11 and segid A  and name HA ) ( resid 12 and segid A  and name HD2 ) 3.9134 1.85646153846154 1.85646153846154   
assign ( resid 11 and segid A  and name HA ) ( resid 12 and segid A  and name HD1 ) 3.9634 1.89492307692308 1.89492307692308   
assign ( resid 29 and segid A  and name HA ) ( resid 36 and segid A  and name HA ) 3.5406 1.56969230769231 1.56969230769231   
assign ( resid 36 and segid A  and name HA ) ( resid 29 and segid A  and name HE+ ) 4.9690 2.66846153846154 2.66846153846154   
assign ( resid 11 and segid A  and name HD2+ ) ( resid 28 and segid A  and name HD+ ) 4.3347 2.18053846153846 2.18053846153846   
assign ( resid 11 and segid A  and name HD2+ ) ( resid 28 and segid A  and name HE+ ) 4.4089 2.23761538461538 2.23761538461538   
assign ( resid 40 and segid A  and name HB2 ) ( resid 28 and segid A  and name HD+ ) 4.6712 2.43938461538462 2.43938461538462   
assign ( resid 40 and segid A  and name HB2 ) ( resid 28 and segid A  and name HD+ ) 4.6712 2.43938461538462 2.43938461538462   
assign ( resid 11 and segid A  and name HB2 ) ( resid 28 and segid A  and name HD+ ) 4.6863 2.451 2.451   
assign ( resid 11 and segid A  and name HB2 ) ( resid 28 and segid A  and name HD+ ) 4.6863 2.451 2.451   
assign ( resid 11 and segid A  and name HA ) ( resid 15 and segid A  and name HD1 ) 5.0638 2.74138461538461 2.74138461538461   
assign ( resid 12 and segid A  and name HD2 ) ( resid 11 and segid A  and name HD1+ ) 4.8118 2.54753846153846 2.54753846153846   
assign ( resid 12 and segid A  and name HD2 ) ( resid 11 and segid A  and name HD2+ ) 4.7209 2.47761538461538 2.47761538461538   
assign ( resid 12 and segid A  and name HD1 ) ( resid 11 and segid A  and name HD1+ ) 4.2561 2.12007692307692 2.12007692307692   
assign ( resid 12 and segid A  and name HD1 ) ( resid 11 and segid A  and name HD2+ ) 4.4105 2.23884615384615 2.23884615384615   
assign ( resid 12 and segid A  and name HA ) ( resid 13 and segid A  and name HD1 ) 4.7042 2.46476923076923 2.46476923076923   
assign ( resid 12 and segid A  and name HA ) ( resid 13 and segid A  and name HD2 ) 3.9044 1.84953846153846 1.84953846153846   
assign ( resid 31 and segid A  and name HB2 ) ( resid 29 and segid A  and name HD+ ) 4.5485 2.345 2.345   
assign ( resid 31 and segid A  and name HB1 ) ( resid 29 and segid A  and name HE+ ) 4.3905 2.22346153846154 2.22346153846154   
assign ( resid 31 and segid A  and name HB2 ) ( resid 29 and segid A  and name HE+ ) 4.4921 2.30161538461538 2.30161538461538   
assign ( resid 27 and segid A  and name HB1 ) ( resid 38 and segid A  and name HE3 ) 4.3900 2.22307692307692 2.22307692307692   
assign ( resid 27 and segid A  and name HB2 ) ( resid 38 and segid A  and name HE3 ) 4.1902 2.06938461538462 2.06938461538462   
assign ( resid 28 and segid A  and name HA ) ( resid 17 and segid A  and name HA ) 4.2247 2.09592307692308 2.09592307692308   
assign ( resid 35 and segid A  and name HN ) ( resid 30 and segid A  and name HN ) 2.7754 0.981076923076923 0.981076923076923   
assign ( resid 18 and segid A  and name HG2 ) ( resid 27 and segid A  and name HD+ ) 4.2424 2.10953846153846 2.10953846153846   
assign ( resid 18 and segid A  and name HG1 ) ( resid 27 and segid A  and name HD+ ) 5.0528 2.73292307692308 2.73292307692308   
assign ( resid 18 and segid A  and name HB2 ) ( resid 27 and segid A  and name HD+ ) 4.2482 2.114 2.114   
assign ( resid 18 and segid A  and name HB1 ) ( resid 27 and segid A  and name HD+ ) 4.8903 2.60792307692308 2.60792307692308   
assign ( resid 29 and segid A  and name HB2 ) ( resid 27 and segid A  and name HD+ ) 4.0733 1.97946153846154 1.97946153846154   
assign ( resid 29 and segid A  and name HB2 ) ( resid 27 and segid A  and name HE+ ) 4.2868 2.14369230769231 2.14369230769231   
assign ( resid 29 and segid A  and name HB1 ) ( resid 27 and segid A  and name HD+ ) 4.4811 2.29315384615385 2.29315384615385   
assign ( resid 29 and segid A  and name HB1 ) ( resid 27 and segid A  and name HE+ ) 4.3647 2.20361538461538 2.20361538461538   
assign ( resid 29 and segid A  and name HA ) ( resid 27 and segid A  and name HE+ ) 4.6873 2.45176923076923 2.45176923076923   
assign ( resid 36 and segid A  and name HB2 ) ( resid 27 and segid A  and name HE+ ) 4.3018 2.15523076923077 2.15523076923077   
assign ( resid 36 and segid A  and name HB2 ) ( resid 27 and segid A  and name HD+ ) 4.1239 2.01838461538462 2.01838461538462   
assign ( resid 36 and segid A  and name HB1 ) ( resid 27 and segid A  and name HE+ ) 4.2543 2.11869230769231 2.11869230769231   
assign ( resid 36 and segid A  and name HB1 ) ( resid 27 and segid A  and name HD+ ) 4.3708 2.20830769230769 2.20830769230769   
assign ( resid 29 and segid A  and name HB2 ) ( resid 36 and segid A  and name HA ) 4.5103 2.31561538461538 2.31561538461538   
assign ( resid 26 and segid A  and name HA ) ( resid 27 and segid A  and name HD+ ) 4.2516 2.11661538461538 2.11661538461538   
assign ( resid 26 and segid A  and name HA ) ( resid 27 and segid A  and name HE+ ) 4.4994 2.30723076923077 2.30723076923077   
assign ( resid 36 and segid A  and name HA ) ( resid 29 and segid A  and name HD+ ) 4.8261 2.55853846153846 2.55853846153846   
assign ( resid 27 and segid A  and name HE+ ) ( resid 29 and segid A  and name HD+ ) 4.4533 2.27176923076923 2.27176923076923   
assign ( resid 31 and segid A  and name HA ) ( resid 29 and segid A  and name HD+ ) 4.5320 2.33230769230769 2.33230769230769   
assign ( resid 17 and segid A  and name HE2 ) ( resid 28 and segid A  and name HD+ ) 3.8490 1.80692307692308 1.80692307692308   
assign ( resid 17 and segid A  and name HE2 ) ( resid 28 and segid A  and name HE+ ) 4.0681 1.97546153846154 1.97546153846154   
assign ( resid 17 and segid A  and name HG2 ) ( resid 28 and segid A  and name HD+ ) 3.9294 1.86876923076923 1.86876923076923   
assign ( resid 17 and segid A  and name HB1 ) ( resid 28 and segid A  and name HD+ ) 5.1185 2.78346153846154 2.78346153846154   
assign ( resid 17 and segid A  and name HB2 ) ( resid 28 and segid A  and name HD+ ) 4.3807 2.21592307692308 2.21592307692308   
assign ( resid 17 and segid A  and name HB2 ) ( resid 28 and segid A  and name HE+ ) 4.4795 2.29192307692308 2.29192307692308   
assign ( resid 17 and segid A  and name HB1 ) ( resid 28 and segid A  and name HE+ ) 4.4066 2.23584615384615 2.23584615384615   
assign ( resid 17 and segid A  and name HG2 ) ( resid 28 and segid A  and name HE+ ) 3.9686 1.89892307692308 1.89892307692308   
assign ( resid 30 and segid A  and name HB1 ) ( resid 15 and segid A  and name HH2 ) 4.1571 2.04392307692308 2.04392307692308   
assign ( resid 30 and segid A  and name HB1 ) ( resid 15 and segid A  and name HZ2 ) 4.5150 2.31923076923077 2.31923076923077   
assign ( resid 30 and segid A  and name HB1 ) ( resid 15 and segid A  and name HE3 ) 4.5234 2.32569230769231 2.32569230769231   
assign ( resid 30 and segid A  and name HB1 ) ( resid 15 and segid A  and name HZ3 ) 4.5246 2.32661538461538 2.32661538461538   
assign ( resid 41 and segid A  and name HG1 ) ( resid 15 and segid A  and name HH2 ) 4.2666 2.12815384615385 2.12815384615385   
assign ( resid 41 and segid A  and name HG1 ) ( resid 15 and segid A  and name HZ2 ) 4.2963 2.151 2.151   
assign ( resid 41 and segid A  and name HG1 ) ( resid 15 and segid A  and name HZ3 ) 4.4212 2.24707692307692 2.24707692307692   
assign ( resid 41 and segid A  and name HG2 ) ( resid 15 and segid A  and name HZ2 ) 4.4932 2.30246153846154 2.30246153846154   
assign ( resid 41 and segid A  and name HG1 ) ( resid 15 and segid A  and name HD1 ) 4.9333 2.641 2.641   
assign ( resid 41 and segid A  and name HG1 ) ( resid 28 and segid A  and name HD+ ) 4.6666 2.43584615384615 2.43584615384615   
assign ( resid 41 and segid A  and name HG1 ) ( resid 37 and segid A  and name HE22 ) 4.4844 2.29569230769231 2.29569230769231   
assign ( resid 41 and segid A  and name HG1 ) ( resid 37 and segid A  and name HE21 ) 5.3874 2.99030769230769 2.99030769230769   
assign ( resid 41 and segid A  and name HG2 ) ( resid 15 and segid A  and name HD1 ) 4.6941 2.457 2.457   
assign ( resid 41 and segid A  and name HG2 ) ( resid 28 and segid A  and name HD+ ) 4.7538 2.50292307692308 2.50292307692308   
assign ( resid 41 and segid A  and name HB1 ) ( resid 15 and segid A  and name HD1 ) 4.2763 2.13561538461538 2.13561538461538   
assign ( resid 41 and segid A  and name HB1 ) ( resid 15 and segid A  and name HH2 ) 4.1061 2.00469230769231 2.00469230769231   
assign ( resid 41 and segid A  and name HB2 ) ( resid 15 and segid A  and name HD1 ) 4.3943 2.22638461538462 2.22638461538462   
assign ( resid 11 and segid A  and name HD1+ ) ( resid 15 and segid A  and name HD1 ) 4.6126 2.39430769230769 2.39430769230769   
assign ( resid 41 and segid A  and name HB2 ) ( resid 15 and segid A  and name HH2 ) 4.6550 2.42692307692308 2.42692307692308   
assign ( resid 35 and segid A  and name HB+ ) ( resid 15 and segid A  and name HE3 ) 4.7471 2.49776923076923 2.49776923076923   
assign ( resid 11 and segid A  and name HB2 ) ( resid 28 and segid A  and name HE+ ) 4.9039 2.61838461538462 2.61838461538462   
assign ( resid 41 and segid A  and name HD1 ) ( resid 28 and segid A  and name HD+ ) 4.6648 2.43446153846154 2.43446153846154   
assign ( resid 40 and segid A  and name HA ) ( resid 28 and segid A  and name HE+ ) 4.2096 2.08430769230769 2.08430769230769   
assign ( resid 40 and segid A  and name HA ) ( resid 28 and segid A  and name HD+ ) 4.2040 2.08 2.08   
assign ( resid 41 and segid A  and name HD2 ) ( resid 28 and segid A  and name HE+ ) 4.3996 2.23046153846154 2.23046153846154   
assign ( resid 41 and segid A  and name HD2 ) ( resid 28 and segid A  and name HD+ ) 4.8186 2.55276923076923 2.55276923076923   
assign ( resid 40 and segid A  and name HG2 ) ( resid 28 and segid A  and name HD+ ) 4.1710 2.05461538461538 2.05461538461538   
assign ( resid 40 and segid A  and name HG2 ) ( resid 28 and segid A  and name HE+ ) 4.7622 2.50938461538462 2.50938461538462   
assign ( resid 25 and segid A  and name HB1 ) ( resid 38 and segid A  and name HH2 ) 4.2949 2.14992307692308 2.14992307692308   
assign ( resid 25 and segid A  and name HB1 ) ( resid 38 and segid A  and name HZ3 ) 4.7647 2.51130769230769 2.51130769230769   
assign ( resid 25 and segid A  and name HB2 ) ( resid 38 and segid A  and name HH2 ) 4.5768 2.36676923076923 2.36676923076923   
assign ( resid 25 and segid A  and name HB2 ) ( resid 38 and segid A  and name HZ3 ) 4.2730 2.13307692307692 2.13307692307692   
assign ( resid 25 and segid A  and name HB2 ) ( resid 38 and segid A  and name HE3 ) 4.7773 2.521 2.521   
assign ( resid 25 and segid A  and name HB1 ) ( resid 38 and segid A  and name HE3 ) 4.6216 2.40123076923077 2.40123076923077   
assign ( resid 25 and segid A  and name HG2 ) ( resid 38 and segid A  and name HH2 ) 4.6550 2.42692307692308 2.42692307692308   
assign ( resid 25 and segid A  and name HG2 ) ( resid 38 and segid A  and name HZ3 ) 5.2963 2.92023076923077 2.92023076923077   
assign ( resid 27 and segid A  and name HB2 ) ( resid 38 and segid A  and name HH2 ) 4.3587 2.199 2.199   
assign ( resid 25 and segid A  and name HD2 ) ( resid 38 and segid A  and name HH2 ) 4.1912 2.07015384615385 2.07015384615385   
assign ( resid 16 and segid A  and name HG2 ) ( resid 29 and segid A  and name HE+ ) 4.2936 2.14892307692308 2.14892307692308   
assign ( resid 16 and segid A  and name HG1 ) ( resid 27 and segid A  and name HD+ ) 4.3824 2.21723076923077 2.21723076923077   
assign ( resid 16 and segid A  and name HG1 ) ( resid 29 and segid A  and name HE+ ) 4.6740 2.44153846153846 2.44153846153846   
assign ( resid 16 and segid A  and name HB2 ) ( resid 29 and segid A  and name HD+ ) 4.4768 2.28984615384615 2.28984615384615   
assign ( resid 16 and segid A  and name HB2 ) ( resid 29 and segid A  and name HE+ ) 4.3532 2.19476923076923 2.19476923076923   
assign ( resid 12 and segid A  and name HG1 ) ( resid 15 and segid A  and name HD1 ) 4.0406 1.95430769230769 1.95430769230769   
assign ( resid 12 and segid A  and name HG2 ) ( resid 15 and segid A  and name HD1 ) 4.0136 1.93353846153846 1.93353846153846   
assign ( resid 12 and segid A  and name HB2 ) ( resid 15 and segid A  and name HD1 ) 4.1165 2.01269230769231 2.01269230769231   
assign ( resid 40 and segid A  and name HB2 ) ( resid 28 and segid A  and name HE+ ) 4.5504 2.34646153846154 2.34646153846154   
assign ( resid 12 and segid A  and name HB1 ) ( resid 15 and segid A  and name HE3 ) 4.4591 2.27623076923077 2.27623076923077   
assign ( resid 36 and segid A  and name HB1 ) ( resid 29 and segid A  and name HE+ ) 4.3509 2.193 2.193   
assign ( resid 36 and segid A  and name HB2 ) ( resid 29 and segid A  and name HE+ ) 4.4545 2.27269230769231 2.27269230769231   
assign ( resid 13 and segid A  and name HD2 ) ( resid 15 and segid A  and name HD1 ) 5.1333 2.79484615384615 2.79484615384615   
assign ( resid 13 and segid A  and name HD1 ) ( resid 15 and segid A  and name HD1 ) 4.2628 2.12523076923077 2.12523076923077   
assign ( resid 21 and segid A  and name HG2 ) ( resid 27 and segid A  and name HE+ ) 4.6075 2.39038461538462 2.39038461538462   
assign ( resid 21 and segid A  and name HB2 ) ( resid 27 and segid A  and name HE+ ) 5.0714 2.74723076923077 2.74723076923077   
assign ( resid 11 and segid A  and name HD1+ ) ( resid 15 and segid A  and name HZ2 ) 4.7502 2.50015384615385 2.50015384615385   
assign ( resid 11 and segid A  and name HD2+ ) ( resid 15 and segid A  and name HZ2 ) 4.7297 2.48438461538462 2.48438461538462   
assign ( resid 11 and segid A  and name HG ) ( resid 15 and segid A  and name HZ2 ) 4.7319 2.48607692307692 2.48607692307692   
assign ( resid 37 and segid A  and name HB2 ) ( resid 15 and segid A  and name HZ2 ) 3.9725 1.90192307692308 1.90192307692308   
assign ( resid 40 and segid A  and name HA ) ( resid 15 and segid A  and name HZ2 ) 3.5444 1.57261538461538 1.57261538461538   
assign ( resid 41 and segid A  and name HD2 ) ( resid 15 and segid A  and name HZ2 ) 4.6825 2.44807692307692 2.44807692307692   
assign ( resid 208 and segid B  and name HG2+ ) ( resid 29 and segid A  and name HE+ ) 5.0727 2.74823076923077 2.74823076923077   
assign ( resid 17 and segid A  and name HA ) ( resid 28 and segid A  and name HE+ ) 4.2244 2.09569230769231 2.09569230769231   
assign ( resid 20 and segid A  and name HB2 ) ( resid 38 and segid A  and name HH2 ) 4.0359 1.95069230769231 1.95069230769231   
assign ( resid 20 and segid A  and name HB2 ) ( resid 38 and segid A  and name HZ3 ) 4.0363 1.951 1.951   
assign ( resid 20 and segid A  and name HB2 ) ( resid 27 and segid A  and name HD+ ) 4.1088 2.00676923076923 2.00676923076923   
assign ( resid 20 and segid A  and name HA ) ( resid 27 and segid A  and name HD+ ) 4.0222 1.94015384615385 1.94015384615385   
assign ( resid 211 and segid B  and name HA ) ( resid 212 and segid A  and name HD2 ) 4.0565 1.96653846153846 1.96653846153846   
assign ( resid 211 and segid B  and name HA ) ( resid 212 and segid A  and name HD1 ) 4.8884 2.60646153846154 2.60646153846154   
assign ( resid 212 and segid B  and name HD2 ) ( resid 211 and segid A  and name HB2 ) 3.7938 1.76446153846154 1.76446153846154   
assign ( resid 212 and segid B  and name HD1 ) ( resid 211 and segid A  and name HB2 ) 3.7474 1.72876923076923 1.72876923076923   
assign ( resid 212 and segid B  and name HD1 ) ( resid 211 and segid A  and name HB1 ) 3.7761 1.75084615384615 1.75084615384615   
assign ( resid 212 and segid B  and name HD2 ) ( resid 211 and segid A  and name HB1 ) 3.8161 1.78161538461538 1.78161538461538   
assign ( resid 38 and segid A  and name HA ) ( resid 27 and segid A  and name HB2 ) 3.5604 1.58492307692308 1.58492307692308   
assign ( resid 38 and segid A  and name HA ) ( resid 27 and segid A  and name HB1 ) 3.5218 1.55523076923077 1.55523076923077   
assign ( resid 11 and segid A  and name HD1+ ) ( resid 41 and segid A  and name HG2 ) 5.0334 2.718 2.718   
assign ( resid 12 and segid A  and name HD2 ) ( resid 41 and segid A  and name HB1 ) 4.4184 2.24492307692308 2.24492307692308   
assign ( resid 12 and segid A  and name HD2 ) ( resid 41 and segid A  and name HG2 ) 4.4790 2.29153846153846 2.29153846153846   
assign ( resid 12 and segid A  and name HD1 ) ( resid 41 and segid A  and name HB1 ) 4.4111 2.23930769230769 2.23930769230769   
assign ( resid 12 and segid A  and name HD1 ) ( resid 41 and segid A  and name HG2 ) 4.4715 2.28576923076923 2.28576923076923   
assign ( resid 12 and segid A  and name HD1 ) ( resid 41 and segid A  and name HG1 ) 4.2848 2.14215384615385 2.14215384615385   
assign ( resid 12 and segid A  and name HD2 ) ( resid 41 and segid A  and name HG1 ) 4.8884 2.60646153846154 2.60646153846154   
assign ( resid 32 and segid A  and name HG11 ) ( resid 30 and segid A  and name HB1 ) 4.1754 2.058 2.058   
assign ( resid 32 and segid A  and name HG12 ) ( resid 30 and segid A  and name HB1 ) 4.3627 2.20207692307692 2.20207692307692   
assign ( resid 16 and segid A  and name HG2 ) ( resid 29 and segid A  and name HD+ ) 4.2096 2.08430769230769 2.08430769230769   
assign ( resid 12 and segid A  and name HA ) ( resid 15 and segid A  and name HD1 ) 4.1337 2.02592307692308 2.02592307692308   
assign ( resid 35 and segid A  and name HB+ ) ( resid 15 and segid A  and name HH2 ) 5.1473 2.80561538461538 2.80561538461538   
assign ( resid 12 and segid A  and name HB1 ) ( resid 15 and segid A  and name HD1 ) 3.7583 1.73715384615385 1.73715384615385   
assign ( resid 37 and segid A  and name HB1 ) ( resid 15 and segid A  and name HE3 ) 4.2497 2.11515384615385 2.11515384615385   
assign ( resid 37 and segid A  and name HG2 ) ( resid 15 and segid A  and name HZ2 ) 3.4925 1.53269230769231 1.53269230769231   
assign ( resid 37 and segid A  and name HG1 ) ( resid 15 and segid A  and name HE3 ) 4.1811 2.06238461538462 2.06238461538462   
assign ( resid 37 and segid A  and name HG2 ) ( resid 15 and segid A  and name HE3 ) 4.8702 2.59246153846154 2.59246153846154   
assign ( resid 17 and segid A  and name HA ) ( resid 28 and segid A  and name HD+ ) 4.4143 2.24176923076923 2.24176923076923   
assign ( resid 15 and segid A  and name HA ) ( resid 30 and segid A  and name HA ) 3.7348 1.71907692307692 1.71907692307692   
assign ( resid 15 and segid A  and name HB2 ) ( resid 11 and segid A  and name HG ) 4.7146 2.47276923076923 2.47276923076923   
assign ( resid 15 and segid A  and name HB2 ) ( resid 11 and segid A  and name HD1+ ) 4.8337 2.56438461538462 2.56438461538462   
assign ( resid 15 and segid A  and name HB2 ) ( resid 11 and segid A  and name HD2+ ) 4.6096 2.392 2.392   
assign ( resid 14 and segid A  and name HA1 ) ( resid 32 and segid A  and name HG2+ ) 4.4405 2.26192307692308 2.26192307692308   
assign ( resid 14 and segid A  and name HA2 ) ( resid 32 and segid A  and name HG2+ ) 4.8871 2.60546153846154 2.60546153846154   
assign ( resid 41 and segid A  and name HB1 ) ( resid 15 and segid A  and name HE3 ) 4.7622 2.50938461538462 2.50938461538462   
assign ( resid 28 and segid A  and name HA ) ( resid 15 and segid A  and name HZ2 ) 4.3643 2.20330769230769 2.20330769230769   
assign ( resid 25 and segid A  and name HD1 ) ( resid 38 and segid A  and name HH2 ) 4.3371 2.18238461538462 2.18238461538462   
assign ( resid 40 and segid A  and name HG1 ) ( resid 28 and segid A  and name HE+ ) 4.4263 2.251 2.251   
assign ( resid 40 and segid A  and name HG1 ) ( resid 28 and segid A  and name HD+ ) 5.2455 2.88115384615385 2.88115384615385   
assign ( resid 20 and segid A  and name HA ) ( resid 38 and segid A  and name HZ3 ) 4.4212 2.24707692307692 2.24707692307692   
assign ( resid 20 and segid A  and name HA ) ( resid 38 and segid A  and name HH2 ) 4.2485 2.11423076923077 2.11423076923077   
assign ( resid 20 and segid A  and name HB1 ) ( resid 38 and segid A  and name HH2 ) 3.9538 1.88753846153846 1.88753846153846   
assign ( resid 20 and segid A  and name HB1 ) ( resid 38 and segid A  and name HZ3 ) 4.2666 2.12815384615385 2.12815384615385   
assign ( resid 20 and segid A  and name HB1 ) ( resid 27 and segid A  and name HD+ ) 4.1700 2.05384615384615 2.05384615384615   
assign ( resid 20 and segid A  and name HB1 ) ( resid 38 and segid A  and name HZ2 ) 4.2105 2.085 2.085   
assign ( resid 23 and segid A  and name HB1 ) ( resid 38 and segid A  and name HH2 ) 4.3166 2.16661538461538 2.16661538461538   
assign ( resid 23 and segid A  and name HB2 ) ( resid 38 and segid A  and name HH2 ) 4.3627 2.20207692307692 2.20207692307692   
assign ( resid 22 and segid A  and name HB2 ) ( resid 38 and segid A  and name HH2 ) 4.3961 2.22776923076923 2.22776923076923   
assign ( resid 22 and segid A  and name HB2 ) ( resid 38 and segid A  and name HZ2 ) 4.2341 2.10315384615385 2.10315384615385   
assign ( resid 23 and segid A  and name HB2 ) ( resid 38 and segid A  and name HZ2 ) 4.2121 2.08623076923077 2.08623076923077   
assign ( resid 11 and segid A  and name HG ) ( resid 15 and segid A  and name HD1 ) 4.2976 2.152 2.152   
assign ( resid 19 and segid A  and name HA ) ( resid 26 and segid A  and name HA ) 3.6843 1.68023076923077 1.68023076923077   
assign ( resid 31 and segid A  and name HA ) ( resid 29 and segid A  and name HZ ) 4.3675 2.20576923076923 2.20576923076923   
assign ( resid 34 and segid A  and name HA ) ( resid 29 and segid A  and name HD+ ) 4.3155 2.16576923076923 2.16576923076923   
assign ( resid 34 and segid A  and name HA ) ( resid 29 and segid A  and name HE+ ) 4.5992 2.384 2.384   
assign ( resid 31 and segid A  and name HA ) ( resid 29 and segid A  and name HE+ ) 4.6825 2.44807692307692 2.44807692307692   
assign ( resid 31 and segid A  and name HB1 ) ( resid 29 and segid A  and name HD+ ) 4.3824 2.21723076923077 2.21723076923077   
assign ( resid 31 and segid A  and name HB1 ) ( resid 29 and segid A  and name HZ ) 4.7409 2.493 2.493   
assign ( resid 14 and segid A  and name HA2 ) ( resid 31 and segid A  and name HD1 ) 4.1239 2.01838461538462 2.01838461538462   
assign ( resid 20 and segid A  and name HB1 ) ( resid 38 and segid A  and name HE3 ) 4.4570 2.27461538461538 2.27461538461538   
assign ( resid 25 and segid A  and name HD1 ) ( resid 38 and segid A  and name HE3 ) 5.2963 2.92023076923077 2.92023076923077   
assign ( resid 25 and segid A  and name HD2 ) ( resid 38 and segid A  and name HE3 ) 4.4353 2.25792307692308 2.25792307692308   
assign ( resid 20 and segid A  and name HA ) ( resid 27 and segid A  and name HE+ ) 4.0281 1.94469230769231 1.94469230769231   
assign ( resid 17 and segid A  and name HA ) ( resid 28 and segid A  and name HA ) 3.9577 1.89053846153846 1.89053846153846   
assign ( resid 30 and segid A  and name HA ) ( resid 15 and segid A  and name HA ) 3.9447 1.88053846153846 1.88053846153846   
assign ( resid 27 and segid A  and name HB1 ) ( resid 38 and segid A  and name HA ) 3.8825 1.83269230769231 1.83269230769231   
assign ( resid 27 and segid A  and name HB2 ) ( resid 38 and segid A  and name HA ) 3.8492 1.80707692307692 1.80707692307692   
assign ( resid 29 and segid A  and name HB1 ) ( resid 36 and segid A  and name HA ) 4.0469 1.95915384615385 1.95915384615385   
assign ( resid 41 and segid A  and name HD1 ) ( resid 28 and segid A  and name HE+ ) 5.1138 2.77984615384615 2.77984615384615   
assign ( resid 32 and segid A  and name HD1+ ) ( resid 31 and segid A  and name HD2 ) 4.7224 2.47876923076923 2.47876923076923   
assign ( resid 32 and segid A  and name HG2+ ) ( resid 31 and segid A  and name HD2 ) 4.4829 2.29453846153846 2.29453846153846   
assign ( resid 32 and segid A  and name HG11 ) ( resid 31 and segid A  and name HD2 ) 4.9161 2.62776923076923 2.62776923076923   
assign ( resid 32 and segid A  and name HG12 ) ( resid 31 and segid A  and name HD2 ) 4.7125 2.47115384615385 2.47115384615385   
assign ( resid 32 and segid A  and name HA ) ( resid 31 and segid A  and name HD2 ) 4.6902 2.454 2.454   
assign ( resid 35 and segid A  and name HB+ ) ( resid 15 and segid A  and name HZ3 ) 4.4925 2.30192307692308 2.30192307692308   
assign ( resid 25 and segid A  and name HD1 ) ( resid 38 and segid A  and name HZ2 ) 4.8667 2.58976923076923 2.58976923076923   
assign ( resid 17 and segid A  and name HE2 ) ( resid 19 and segid A  and name HG2 ) 4.5345 2.33423076923077 2.33423076923077   
assign ( resid 17 and segid A  and name HE2 ) ( resid 19 and segid A  and name HG1 ) 4.3080 2.16 2.16   
assign ( resid 29 and segid A  and name HD+ ) ( resid 31 and segid A  and name HD1 ) 4.4049 2.23453846153846 2.23453846153846   
assign ( resid 29 and segid A  and name HE+ ) ( resid 31 and segid A  and name HD1 ) 3.6714 1.67030769230769 1.67030769230769   
assign ( resid 11 and segid A  and name HD2+ ) ( resid 15 and segid A  and name HD1 ) 4.4193 2.24561538461538 2.24561538461538   
assign ( resid 17 and segid A  and name HD2 ) ( resid 28 and segid A  and name HD+ ) 4.3552 2.19630769230769 2.19630769230769   
assign ( resid 17 and segid A  and name HD2 ) ( resid 28 and segid A  and name HE+ ) 4.2388 2.10676923076923 2.10676923076923   
assign ( resid 25 and segid A  and name HG1 ) ( resid 38 and segid A  and name HZ3 ) 4.3996 2.23046153846154 2.23046153846154   
assign ( resid 17 and segid A  and name HE2 ) ( resid 26 and segid A  and name HG2+ ) 3.9937 1.91823076923077 1.91823076923077   
assign ( resid 17 and segid A  and name HE2 ) ( resid 26 and segid A  and name HG1+ ) 4.4719 2.28607692307692 2.28607692307692   



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