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
	23229	2juc	15439	cing	1-original	2	XPLOR/CNS	distance	NOE	simple

!From xeasy noes, file 2D-noesy-calc28-bis-7-integr 
assign ( resid 48 and name HN ) ( resid 47 and name HN ) 2.2824 0.601846153846154 0.601846153846154 
 assign ( resid 47 and name HD+ ) ( resid 48 and name HN ) 3.5388 1.56830769230769 1.56830769230769 
 assign ( resid 47 and name HB ) ( resid 48 and name HN ) 3.1249 1.24992307692308 1.24992307692308 
 assign ( resid 47 and name HN ) ( resid 46 and name HN ) 2.7649 0.973 0.973 
 assign ( resid 46 and name HA ) ( resid 47 and name HN ) 3.5514 1.578 1.578 
 assign ( resid 46 and name HB2 ) ( resid 47 and name HN ) 3.4047 1.46515384615385 1.46515384615385 
 assign ( resid 46 and name HB1 ) ( resid 47 and name HN ) 3.2110 1.31615384615385 1.31615384615385 
 assign ( resid 45 and name HA ) ( resid 46 and name HN ) 1.6729 0.5 0.5 
 assign ( resid 45 and name HB1 ) ( resid 46 and name HN ) 3.5628 1.58676923076923 1.58676923076923 
 assign ( resid 45 and name HN ) ( resid 46 and name HN ) 3.6271 1.63623076923077 1.63623076923077 
 assign ( resid 44 and name HA ) ( resid 45 and name HN ) 3.2504 1.34646153846154 1.34646153846154 
 assign ( resid 45 and name HN ) ( resid 44 and name HN ) 2.3568 0.659076923076923 0.659076923076923 
 assign ( resid 44 and name HB2 ) ( resid 45 and name HN ) 3.5068 1.54369230769231 1.54369230769231 
 assign ( resid 44 and name HG2 ) ( resid 45 and name HN ) 3.1925 1.30192307692308 1.30192307692308 
 assign ( resid 43 and name HD+ ) ( resid 44 and name HN ) 3.1165 1.24346153846154 1.24346153846154 
 assign ( resid 43 and name HA ) ( resid 44 and name HN ) 1.7664 0.5 0.5 
 assign ( resid 43 and name HN ) ( resid 44 and name HN ) 3.6296 1.63815384615385 1.63815384615385 
 assign ( resid 18 and name HG1 ) ( resid 19 and name HD+ ) 3.6918 1.686 1.686 
 assign ( resid 42 and name HA ) ( resid 43 and name HN ) 3.2555 1.35038461538462 1.35038461538462 
 assign ( resid 42 and name HB2 ) ( resid 43 and name HN ) 3.2599 1.35376923076923 1.35376923076923 
 assign ( resid 18 and name HG2 ) ( resid 19 and name HD+ ) 3.7147 1.70361538461538 1.70361538461538 
 assign ( resid 41 and name HA ) ( resid 42 and name HN ) 3.1213 1.24715384615385 1.24715384615385 
 assign ( resid 39 and name HA ) ( resid 40 and name HN ) 3.1419 1.263 1.263 
 assign ( resid 39 and name HB2 ) ( resid 40 and name HN ) 3.4493 1.49946153846154 1.49946153846154 
 assign ( resid 39 and name HB1 ) ( resid 40 and name HN ) 3.5445 1.57269230769231 1.57269230769231 
 assign ( resid 43 and name HN ) ( resid 42 and name HN ) 2.4579 0.736846153846154 0.736846153846154 
 assign ( resid 40 and name HN ) ( resid 39 and name HN ) 2.3405 0.646538461538462 0.646538461538462 
 assign ( resid 41 and name HN ) ( resid 42 and name HN ) 2.2999 0.615307692307692 0.615307692307692 
 assign ( resid 41 and name HN ) ( resid 40 and name HN ) 2.3762 0.674 0.674 
 assign ( resid 51 and name HN ) ( resid 50 and name HN ) 2.6344 0.872615384615384 0.872615384615384 
 assign ( resid 53 and name HN ) ( resid 54 and name HN ) 2.4778 0.752153846153846 0.752153846153846 
 assign ( resid 52 and name HN ) ( resid 53 and name HN ) 2.4139 0.703 0.703 
 assign ( resid 51 and name HN ) ( resid 52 and name HN ) 2.5064 0.774153846153846 0.774153846153846 
 assign ( resid 53 and name HB1 ) ( resid 54 and name HN ) 2.6991 0.922384615384615 0.922384615384615 
 assign ( resid 53 and name HB2 ) ( resid 54 and name HN ) 2.7830 0.986923076923077 0.986923076923077 
 assign ( resid 53 and name HA ) ( resid 54 and name HN ) 3.4523 1.50176923076923 1.50176923076923 
 assign ( resid 55 and name HN ) ( resid 54 and name HN ) 2.2648 0.588307692307692 0.588307692307692 
 assign ( resid 52 and name HB2 ) ( resid 53 and name HN ) 2.4320 0.716923076923077 0.716923076923077 
 assign ( resid 52 and name HA ) ( resid 53 and name HN ) 3.4084 1.468 1.468 
 assign ( resid 51 and name HA ) ( resid 52 and name HN ) 2.9546 1.11892307692308 1.11892307692308 
 assign ( resid 51 and name HB2 ) ( resid 52 and name HN ) 2.6360 0.873846153846154 0.873846153846154 
 assign ( resid 52 and name HB1 ) ( resid 53 and name HN ) 3.2170 1.32076923076923 1.32076923076923 
 assign ( resid 52 and name HD+ ) ( resid 53 and name HN ) 3.9060 1.85076923076923 1.85076923076923 
 assign ( resid 52 and name HG ) ( resid 53 and name HN ) 3.6307 1.639 1.639 
 assign ( resid 54 and name HA ) ( resid 55 and name HN ) 3.1274 1.25184615384615 1.25184615384615 
 assign ( resid 54 and name HB1 ) ( resid 55 and name HN ) 2.9892 1.14553846153846 1.14553846153846 
 assign ( resid 54 and name HG1 ) ( resid 55 and name HN ) 2.4956 0.765846153846154 0.765846153846154 
 assign ( resid 55 and name HN ) ( resid 56 and name HN ) 2.2913 0.608692307692308 0.608692307692308 
 assign ( resid 57 and name HN ) ( resid 56 and name HN ) 2.5257 0.789 0.789 
 assign ( resid 55 and name HA ) ( resid 56 and name HN ) 3.2023 1.30946153846154 1.30946153846154 
 assign ( resid 56 and name HA ) ( resid 57 and name HN ) 3.4081 1.46776923076923 1.46776923076923 
 assign ( resid 56 and name HB2 ) ( resid 57 and name HN ) 3.0364 1.18184615384615 1.18184615384615 
 assign ( resid 58 and name HN ) ( resid 57 and name HN ) 2.5923 0.840230769230769 0.840230769230769 
 assign ( resid 57 and name HB2 ) ( resid 58 and name HN ) 3.2533 1.34869230769231 1.34869230769231 
 assign ( resid 57 and name HA ) ( resid 58 and name HN ) 3.3559 1.42761538461538 1.42761538461538 
 assign ( resid 48 and name HD+ ) ( resid 49 and name HN ) 3.2701 1.36161538461538 1.36161538461538 
 assign ( resid 48 and name HD+ ) ( resid 49 and name HN ) 3.4983 1.53715384615385 1.53715384615385 
 assign ( resid 48 and name HB ) ( resid 49 and name HN ) 2.6260 0.866153846153846 0.866153846153846 
 assign ( resid 48 and name HA ) ( resid 49 and name HN ) 3.3223 1.40176923076923 1.40176923076923 
 assign ( resid 35 and name HN ) ( resid 34 and name HN ) 2.2158 0.550615384615384 0.550615384615384 
 assign ( resid 34 and name HG11 ) ( resid 35 and name HN ) 3.1570 1.27461538461538 1.27461538461538 
 assign ( resid 34 and name HD+ ) ( resid 35 and name HN ) 2.6326 0.871230769230769 0.871230769230769 
 assign ( resid 34 and name HG12 ) ( resid 35 and name HN ) 2.7642 0.972461538461538 0.972461538461538 
 assign ( resid 34 and name HB ) ( resid 35 and name HN ) 3.4535 1.50269230769231 1.50269230769231 
 assign ( resid 34 and name HA ) ( resid 35 and name HN ) 3.0487 1.19130769230769 1.19130769230769 
 assign ( resid 34 and name HN ) ( resid 33 and name HN ) 2.4204 0.708 0.708 
 assign ( resid 33 and name HA ) ( resid 34 and name HN ) 3.2484 1.34492307692308 1.34492307692308 
 assign ( resid 32 and name HB2 ) ( resid 33 and name HN ) 3.1673 1.28253846153846 1.28253846153846 
 assign ( resid 32 and name HN ) ( resid 31 and name HN ) 2.4506 0.731230769230769 0.731230769230769 
 assign ( resid 32 and name HN ) ( resid 33 and name HN ) 2.4871 0.759307692307692 0.759307692307692 
 assign ( resid 32 and name HA ) ( resid 33 and name HN ) 3.3500 1.42307692307692 1.42307692307692 
 assign ( resid 31 and name HA ) ( resid 32 and name HN ) 3.6713 1.67023076923077 1.67023076923077 
 assign ( resid 31 and name HB2 ) ( resid 32 and name HN ) 3.5851 1.60392307692308 1.60392307692308 
 assign ( resid 31 and name HN ) ( resid 30 and name HN ) 2.4774 0.751846153846154 0.751846153846154 
 assign ( resid 29 and name HN ) ( resid 30 and name HN ) 2.2435 0.571923076923077 0.571923076923077 
 assign ( resid 29 and name HN ) ( resid 28 and name HN ) 2.5933 0.841 0.841 
 assign ( resid 28 and name HN ) ( resid 27 and name HN ) 2.6323 0.871 0.871 
 assign ( resid 28 and name HB1 ) ( resid 29 and name HN ) 3.3048 1.38830769230769 1.38830769230769 
 assign ( resid 28 and name HB2 ) ( resid 29 and name HN ) 2.7767 0.982076923076923 0.982076923076923 
 assign ( resid 27 and name HB1 ) ( resid 28 and name HN ) 2.6281 0.867769230769231 0.867769230769231 
 assign ( resid 27 and name HB2 ) ( resid 28 and name HN ) 3.0186 1.16815384615385 1.16815384615385 
 assign ( resid 25 and name HN ) ( resid 24 and name HN ) 2.3397 0.645923076923077 0.645923076923077 
 assign ( resid 24 and name HB1 ) ( resid 25 and name HN ) 3.4479 1.49838461538462 1.49838461538462 
 assign ( resid 24 and name HB2 ) ( resid 25 and name HN ) 3.6804 1.67723076923077 1.67723076923077 
 assign ( resid 24 and name HA ) ( resid 25 and name HN ) 3.1533 1.27176923076923 1.27176923076923 
 assign ( resid 23 and name HN ) ( resid 24 and name HN ) 2.8671 1.05161538461538 1.05161538461538 
 assign ( resid 23 and name HA ) ( resid 24 and name HN ) 3.3408 1.416 1.416 
 assign ( resid 22 and name HN ) ( resid 23 and name HN ) 3.4923 1.53253846153846 1.53253846153846 
 assign ( resid 22 and name HA ) ( resid 23 and name HN ) 1.5000 0.5 0.5 
 assign ( resid 22 and name HB2 ) ( resid 23 and name HN ) 3.1442 1.26476923076923 1.26476923076923 
 assign ( resid 21 and name HN ) ( resid 20 and name HN ) 2.8242 1.01861538461538 1.01861538461538 
 assign ( resid 21 and name HA ) ( resid 22 and name HN ) 2.0139 0.5 0.5 
 assign ( resid 21 and name HG ) ( resid 22 and name HN ) 3.3220 1.40153846153846 1.40153846153846 
 assign ( resid 21 and name HB2 ) ( resid 22 and name HN ) 3.1190 1.24538461538462 1.24538461538462 
 assign ( resid 21 and name HB1 ) ( resid 22 and name HN ) 2.7887 0.991307692307692 0.991307692307692 
 assign ( resid 21 and name HD+ ) ( resid 22 and name HN ) 3.3160 1.39692307692308 1.39692307692308 
 assign ( resid 21 and name HD+ ) ( resid 22 and name HN ) 3.6865 1.68192307692308 1.68192307692308 
 assign ( resid 29 and name HA ) ( resid 30 and name HN ) 3.3211 1.40084615384615 1.40084615384615 
 assign ( resid 29 and name HB2 ) ( resid 30 and name HN ) 2.8091 1.007 1.007 
 assign ( resid 29 and name HB1 ) ( resid 30 and name HN ) 3.1061 1.23546153846154 1.23546153846154 
 assign ( resid 29 and name HG ) ( resid 30 and name HN ) 3.6783 1.67561538461538 1.67561538461538 
 assign ( resid 29 and name HD+ ) ( resid 30 and name HN ) 3.9778 1.906 1.906 
 assign ( resid 19 and name HN ) ( resid 20 and name HN ) 2.2781 0.598538461538462 0.598538461538462 
 assign ( resid 19 and name HN ) ( resid 18 and name HN ) 2.4354 0.719538461538462 0.719538461538462 
 assign ( resid 17 and name HN ) ( resid 18 and name HN ) 2.4025 0.694230769230769 0.694230769230769 
 assign ( resid 18 and name HA ) ( resid 19 and name HN ) 3.1871 1.29776923076923 1.29776923076923 
 assign ( resid 19 and name HA ) ( resid 20 and name HN ) 3.1030 1.23307692307692 1.23307692307692 
 assign ( resid 20 and name HA ) ( resid 21 and name HN ) 2.2718 0.593692307692308 0.593692307692308 
 assign ( resid 19 and name HB2 ) ( resid 20 and name HN ) 3.6450 1.65 1.65 
 assign ( resid 19 and name HB1 ) ( resid 20 and name HN ) 3.5943 1.611 1.611 
 assign ( resid 17 and name HN ) ( resid 16 and name HN ) 2.7754 0.981076923076923 0.981076923076923 
 assign ( resid 16 and name HN ) ( resid 17 and name HN ) 2.6100 0.853846153846154 0.853846153846154 
 assign ( resid 16 and name HA ) ( resid 17 and name HN ) 3.5122 1.54784615384615 1.54784615384615 
 assign ( resid 16 and name HB2 ) ( resid 17 and name HN ) 2.8472 1.03630769230769 1.03630769230769 
 assign ( resid 16 and name HB1 ) ( resid 17 and name HN ) 3.1881 1.29853846153846 1.29853846153846 
 assign ( resid 15 and name HN ) ( resid 16 and name HN ) 2.2666 0.589692307692308 0.589692307692308 
 assign ( resid 15 and name HA ) ( resid 16 and name HN ) 3.4275 1.48269230769231 1.48269230769231 
 assign ( resid 15 and name HD+ ) ( resid 16 and name HN ) 3.9078 1.85215384615385 1.85215384615385 
 assign ( resid 15 and name HB1 ) ( resid 16 and name HN ) 2.9910 1.14692307692308 1.14692307692308 
 assign ( resid 15 and name HG ) ( resid 16 and name HN ) 3.4116 1.47046153846154 1.47046153846154 
 assign ( resid 15 and name HB2 ) ( resid 16 and name HN ) 2.5262 0.789384615384616 0.789384615384616 
 assign ( resid 15 and name HN ) ( resid 14 and name HN ) 2.3476 0.652 0.652 
 assign ( resid 14 and name HA ) ( resid 15 and name HN ) 3.1436 1.26430769230769 1.26430769230769 
 assign ( resid 14 and name HB2 ) ( resid 15 and name HN ) 2.6224 0.863384615384615 0.863384615384615 
 assign ( resid 14 and name HN ) ( resid 13 and name HN ) 2.3329 0.640692307692308 0.640692307692308 
 assign ( resid 13 and name HA ) ( resid 14 and name HN ) 3.3694 1.438 1.438 
 assign ( resid 13 and name HB2 ) ( resid 14 and name HN ) 3.0303 1.17715384615385 1.17715384615385 
 assign ( resid 13 and name HB1 ) ( resid 14 and name HN ) 2.9976 1.152 1.152 
 assign ( resid 12 and name HN ) ( resid 13 and name HN ) 2.5968 0.843692307692308 0.843692307692308 
 assign ( resid 12 and name HB2 ) ( resid 13 and name HN ) 3.0984 1.22953846153846 1.22953846153846 
 assign ( resid 12 and name HB1 ) ( resid 13 and name HN ) 3.2518 1.34753846153846 1.34753846153846 
 assign ( resid 11 and name HN ) ( resid 12 and name HN ) 2.7245 0.941923076923077 0.941923076923077 
 assign ( resid 11 and name HA ) ( resid 12 and name HN ) 3.2751 1.36546153846154 1.36546153846154 
 assign ( resid 11 and name HB ) ( resid 12 and name HN ) 2.6059 0.850692307692308 0.850692307692308 
 assign ( resid 11 and name HD+ ) ( resid 12 and name HN ) 3.5048 1.54215384615385 1.54215384615385 
 assign ( resid 11 and name HG12 ) ( resid 12 and name HN ) 3.7150 1.70384615384615 1.70384615384615 
 assign ( resid 9 and name HA ) ( resid 10 and name HN ) 3.1735 1.28730769230769 1.28730769230769 
 assign ( resid 9 and name HB1 ) ( resid 10 and name HN ) 2.7447 0.957461538461538 0.957461538461538 
 assign ( resid 9 and name HN ) ( resid 10 and name HN ) 2.5450 0.803846153846154 0.803846153846154 
 assign ( resid 10 and name HA ) ( resid 11 and name HN ) 3.2026 1.30969230769231 1.30969230769231 
 assign ( resid 9 and name HN ) ( resid 8 and name HN ) 2.4371 0.720846153846154 0.720846153846154 
 assign ( resid 8 and name HA ) ( resid 9 and name HN ) 3.0743 1.211 1.211 
 assign ( resid 8 and name HG2 ) ( resid 9 and name HN ) 3.4173 1.47484615384615 1.47484615384615 
 assign ( resid 7 and name HN ) ( resid 8 and name HN ) 2.8772 1.05938461538462 1.05938461538462 
 assign ( resid 7 and name HB2 ) ( resid 8 and name HN ) 3.2904 1.37723076923077 1.37723076923077 
 assign ( resid 7 and name HB1 ) ( resid 8 and name HN ) 2.9124 1.08646153846154 1.08646153846154 
 assign ( resid 7 and name HA ) ( resid 8 and name HN ) 2.0890 0.5 0.5 
 assign ( resid 6 and name HN ) ( resid 7 and name HN ) 2.7465 0.958846153846154 0.958846153846154 
 assign ( resid 6 and name HB ) ( resid 7 and name HN ) 2.7661 0.973923076923077 0.973923076923077 
 assign ( resid 6 and name HA ) ( resid 7 and name HN ) 1.7637 0.5 0.5 
 assign ( resid 6 and name HD+ ) ( resid 7 and name HN ) 3.3008 1.38523076923077 1.38523076923077 
 assign ( resid 6 and name HN ) ( resid 5 and name HN ) 3.1609 1.27761538461538 1.27761538461538 
 assign ( resid 5 and name HA ) ( resid 6 and name HN ) 1.8304 0.5 0.5 
 assign ( resid 5 and name HB1 ) ( resid 6 and name HN ) 3.3052 1.38861538461538 1.38861538461538 
 assign ( resid 47 and name HA ) ( resid 48 and name HN ) 3.3363 1.41253846153846 1.41253846153846 
 assign ( resid 58 and name HA2 ) ( resid 59 and name HN ) 3.2059 1.31223076923077 1.31223076923077 
 assign ( resid 58 and name HA1 ) ( resid 59 and name HN ) 3.2896 1.37661538461538 1.37661538461538 
 assign ( resid 30 and name HB1 ) ( resid 31 and name HN ) 3.1179 1.24453846153846 1.24453846153846 
 assign ( resid 26 and name HA ) ( resid 27 and name HN ) 1.5422 0.5 0.5 
 assign ( resid 26 and name HA ) ( resid 29 and name HN ) 3.3961 1.45853846153846 1.45853846153846 
 assign ( resid 25 and name HB1 ) ( resid 26 and name HN ) 3.3368 1.41292307692308 1.41292307692308 
 assign ( resid 25 and name HB2 ) ( resid 26 and name HN ) 3.3813 1.44715384615385 1.44715384615385 
 assign ( resid 26 and name HD+ ) ( resid 27 and name HN ) 3.2999 1.38453846153846 1.38453846153846 
 assign ( resid 26 and name HB ) ( resid 27 and name HN ) 2.1346 0.5 0.5 
 assign ( resid 26 and name HB ) ( resid 29 and name HN ) 3.3970 1.45923076923077 1.45923076923077 
 assign ( resid 27 and name HA ) ( resid 28 and name HN ) 3.4953 1.53484615384615 1.53484615384615 
 assign ( resid 26 and name HA ) ( resid 27 and name HA ) 3.7503 1.731 1.731 
 assign ( resid 26 and name HA ) ( resid 27 and name HB2 ) 3.6045 1.61884615384615 1.61884615384615 
 assign ( resid 26 and name HA ) ( resid 27 and name HB1 ) 3.4734 1.518 1.518 
 assign ( resid 17 and name HA ) ( resid 18 and name HN ) 3.6211 1.63161538461538 1.63161538461538 
 assign ( resid 17 and name HB2 ) ( resid 18 and name HN ) 2.6985 0.921923076923077 0.921923076923077 
 assign ( resid 17 and name HB1 ) ( resid 18 and name HN ) 2.8837 1.06438461538462 1.06438461538462 
 assign ( resid 14 and name HA ) ( resid 17 and name HB2 ) 2.6617 0.893615384615384 0.893615384615384 
 assign ( resid 14 and name HA ) ( resid 17 and name HB1 ) 3.0625 1.20192307692308 1.20192307692308 
 assign ( resid 14 and name HA ) ( resid 17 and name HN ) 2.9433 1.11023076923077 1.11023076923077 
 assign ( resid 2 and name HD+ ) ( resid 3 and name HN ) 3.5873 1.60561538461538 1.60561538461538 
 assign ( resid 2 and name HA ) ( resid 3 and name HN ) 2.4752 0.750153846153846 0.750153846153846 
 assign ( resid 35 and name HN ) ( resid 36 and name HN ) 3.0099 1.16146153846154 1.16146153846154 
 assign ( resid 34 and name HA ) ( resid 37 and name HB1 ) 3.4245 1.48038461538462 1.48038461538462 
 assign ( resid 34 and name HA ) ( resid 37 and name HB2 ) 3.3286 1.40661538461538 1.40661538461538 
 assign ( resid 35 and name HG2 ) ( resid 36 and name HN ) 2.5680 0.821538461538462 0.821538461538462 
 assign ( resid 35 and name HG1 ) ( resid 36 and name HN ) 2.9475 1.11346153846154 1.11346153846154 
 assign ( resid 37 and name HA ) ( resid 38 and name HD2 ) 2.8699 1.05376923076923 1.05376923076923 
 assign ( resid 37 and name HA ) ( resid 38 and name HD1 ) 2.8877 1.06746153846154 1.06746153846154 
 assign ( resid 38 and name HD2 ) ( resid 39 and name HN ) 3.4821 1.52469230769231 1.52469230769231 
 assign ( resid 38 and name HD1 ) ( resid 39 and name HN ) 3.0603 1.20023076923077 1.20023076923077 
 assign ( resid 38 and name HA ) ( resid 39 and name HN ) 3.3031 1.387 1.387 
 assign ( resid 38 and name HG2 ) ( resid 39 and name HN ) 3.3606 1.43123076923077 1.43123076923077 
 assign ( resid 38 and name HG1 ) ( resid 39 and name HN ) 3.6801 1.677 1.677 
 assign ( resid 38 and name HB1 ) ( resid 39 and name HN ) 3.1790 1.29153846153846 1.29153846153846 
 assign ( resid 38 and name HB2 ) ( resid 39 and name HN ) 3.6640 1.66461538461538 1.66461538461538 
 assign ( resid 3 and name HA ) ( resid 4 and name HN ) 2.1166 0.5 0.5 
 assign ( resid 3 and name HB2 ) ( resid 4 and name HN ) 3.5042 1.54169230769231 1.54169230769231 
 assign ( resid 3 and name HB1 ) ( resid 4 and name HN ) 3.6706 1.66969230769231 1.66969230769231 
 assign ( resid 31 and name HB1 ) ( resid 32 and name HN ) 3.3997 1.46130769230769 1.46130769230769 
 assign ( resid 49 and name HA ) ( resid 50 and name HN ) 3.4063 1.46638461538462 1.46638461538462 
 assign ( resid 50 and name HA ) ( resid 51 and name HN ) 3.7997 1.769 1.769 
 assign ( resid 18 and name HB2 ) ( resid 19 and name HN ) 3.3866 1.45123076923077 1.45123076923077 
 assign ( resid 18 and name HB1 ) ( resid 19 and name HN ) 3.2656 1.35815384615385 1.35815384615385 
 assign ( resid 18 and name HG2 ) ( resid 19 and name HN ) 3.6466 1.65123076923077 1.65123076923077 
 assign ( resid 18 and name HG1 ) ( resid 19 and name HN ) 3.4767 1.52053846153846 1.52053846153846 
 assign ( resid 9 and name HG1 ) ( resid 10 and name HN ) 3.4296 1.48430769230769 1.48430769230769 
 assign ( resid 9 and name HG2 ) ( resid 10 and name HN ) 3.7951 1.76546153846154 1.76546153846154 
 assign ( resid 8 and name HB2 ) ( resid 9 and name HN ) 3.1085 1.23730769230769 1.23730769230769 
 assign ( resid 9 and name HB2 ) ( resid 10 and name HN ) 2.9364 1.10492307692308 1.10492307692308 
 assign ( resid 49 and name HB1 ) ( resid 50 and name HN ) 3.2898 1.37676923076923 1.37676923076923 
 assign ( resid 49 and name HG2 ) ( resid 50 and name HN ) 3.6825 1.67884615384615 1.67884615384615 
 assign ( resid 49 and name HG1 ) ( resid 50 and name HN ) 3.6865 1.68192307692308 1.68192307692308 
 assign ( resid 49 and name HB2 ) ( resid 50 and name HN ) 2.8342 1.02630769230769 1.02630769230769 
 assign ( resid 31 and name HA ) ( resid 34 and name HN ) 3.2371 1.33623076923077 1.33623076923077 
 assign ( resid 8 and name HA ) ( resid 11 and name HD+ ) 3.0963 1.22792307692308 1.22792307692308 
 assign ( resid 8 and name HA ) ( resid 11 and name HD+ ) 3.5729 1.59453846153846 1.59453846153846 
 assign ( resid 8 and name HA ) ( resid 11 and name HN ) 2.9716 1.132 1.132 
 assign ( resid 54 and name HG2 ) ( resid 55 and name HN ) 3.4502 1.50015384615385 1.50015384615385 
 assign ( resid 10 and name HA ) ( resid 13 and name HN ) 2.9084 1.08338461538462 1.08338461538462 
 assign ( resid 51 and name HA ) ( resid 54 and name HN ) 2.7855 0.988846153846154 0.988846153846154 
 assign ( resid 50 and name HB2 ) ( resid 51 and name HN ) 2.8520 1.04 1.04 
 assign ( resid 50 and name HB1 ) ( resid 51 and name HN ) 3.1881 1.29853846153846 1.29853846153846 
 assign ( resid 57 and name HB1 ) ( resid 58 and name HN ) 3.6024 1.61723076923077 1.61723076923077 
 assign ( resid 55 and name HA ) ( resid 58 and name HN ) 2.7605 0.969615384615385 0.969615384615385 
 assign ( resid 54 and name HA ) ( resid 57 and name HN ) 3.0870 1.22076923076923 1.22076923076923 
 assign ( resid 53 and name HA ) ( resid 56 and name HN ) 3.2023 1.30946153846154 1.30946153846154 
 assign ( resid 48 and name HA ) ( resid 51 and name HN ) 2.7880 0.990769230769231 0.990769230769231 
 assign ( resid 46 and name HA ) ( resid 49 and name HN ) 3.0324 1.17876923076923 1.17876923076923 
 assign ( resid 45 and name HA ) ( resid 47 and name HN ) 3.3549 1.42684615384615 1.42684615384615 
 assign ( resid 22 and name HA ) ( resid 24 and name HN ) 3.3724 1.44030769230769 1.44030769230769 
 assign ( resid 26 and name HB ) ( resid 28 and name HN ) 2.4065 0.697307692307692 0.697307692307692 
 assign ( resid 7 and name HA ) ( resid 10 and name HN ) 3.3764 1.44338461538462 1.44338461538462 
 assign ( resid 7 and name HA ) ( resid 9 and name HN ) 3.3633 1.43330769230769 1.43330769230769 
 assign ( resid 7 and name HA ) ( resid 10 and name HD21 ) 3.4377 1.49053846153846 1.49053846153846 
 assign ( resid 7 and name HA ) ( resid 10 and name HD22 ) 3.7103 1.70023076923077 1.70023076923077 
 assign ( resid 38 and name HA ) ( resid 41 and name HD+ ) 2.9528 1.11753846153846 1.11753846153846 
 assign ( resid 38 and name HA ) ( resid 41 and name HN ) 3.5516 1.57815384615385 1.57815384615385 
 assign ( resid 41 and name HA ) ( resid 43 and name HN ) 3.1015 1.23192307692308 1.23192307692308 
 assign ( resid 39 and name HA ) ( resid 42 and name HN ) 3.2281 1.32930769230769 1.32930769230769 
 assign ( resid 39 and name HA ) ( resid 41 and name HN ) 3.3113 1.39330769230769 1.39330769230769 
 assign ( resid 32 and name HA ) ( resid 35 and name HN ) 3.0558 1.19676923076923 1.19676923076923 
 assign ( resid 29 and name HA ) ( resid 32 and name HN ) 3.3961 1.45853846153846 1.45853846153846 
 assign ( resid 28 and name HB1 ) ( resid 31 and name HN ) 3.4184 1.47569230769231 1.47569230769231 
 assign ( resid 28 and name HB2 ) ( resid 31 and name HN ) 3.0201 1.16930769230769 1.16930769230769 
 assign ( resid 27 and name HA ) ( resid 30 and name HN ) 3.3601 1.43084615384615 1.43084615384615 
 assign ( resid 15 and name HA ) ( resid 18 and name HN ) 3.2229 1.32530769230769 1.32530769230769 
 assign ( resid 13 and name HA ) ( resid 16 and name HN ) 2.4787 0.752846153846154 0.752846153846154 
 assign ( resid 12 and name HA ) ( resid 15 and name HN ) 2.6193 0.861 0.861 
 assign ( resid 12 and name HA ) ( resid 16 and name HN ) 3.1915 1.30115384615385 1.30115384615385 
 assign ( resid 11 and name HA ) ( resid 14 and name HN ) 2.8152 1.01169230769231 1.01169230769231 
 assign ( resid 9 and name HA ) ( resid 12 and name HN ) 3.4250 1.48076923076923 1.48076923076923 
 assign ( resid 6 and name HA ) ( resid 9 and name HN ) 3.4839 1.52607692307692 1.52607692307692 
 assign ( resid 25 and name HA ) ( resid 26 and name HN ) 3.1007 1.23130769230769 1.23130769230769 
 assign ( resid 52 and name HA ) ( resid 55 and name HB2 ) 2.8938 1.07215384615385 1.07215384615385 
 assign ( resid 53 and name HA ) ( resid 56 and name HB1 ) 3.3350 1.41153846153846 1.41153846153846 
 assign ( resid 53 and name HA ) ( resid 56 and name HB2 ) 3.0487 1.19130769230769 1.19130769230769 
 assign ( resid 56 and name HB1 ) ( resid 57 and name HN ) 3.2609 1.35453846153846 1.35453846153846 
 assign ( resid 56 and name HA ) ( resid 59 and name HN ) 3.5878 1.606 1.606 
 assign ( resid 26 and name HA ) ( resid 28 and name HN ) 3.2906 1.37738461538462 1.37738461538462 
 assign ( resid 32 and name HB1 ) ( resid 33 and name HN ) 3.2518 1.34753846153846 1.34753846153846 
 assign ( resid 23 and name HA ) ( resid 25 and name HN ) 3.5508 1.57753846153846 1.57753846153846 
 assign ( resid 6 and name HD+ ) ( resid 8 and name HN ) 3.5263 1.55869230769231 1.55869230769231 
 assign ( resid 50 and name HB1 ) ( resid 27 and name HE1 ) 3.2948 1.38061538461538 1.38061538461538 
 assign ( resid 50 and name HB2 ) ( resid 27 and name HE1 ) 3.8534 1.81030769230769 1.81030769230769 
 assign ( resid 49 and name HB1 ) ( resid 27 and name HE1 ) 3.7844 1.75723076923077 1.75723076923077 
 assign ( resid 49 and name HB2 ) ( resid 27 and name HE1 ) 3.8079 1.77530769230769 1.77530769230769 
 assign ( resid 43 and name HD+ ) ( resid 44 and name HN ) 4.0999 1.99992307692308 1.99992307692308 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HN ) 4.0983 1.99869230769231 1.99869230769231 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HZ ) 3.8676 1.82123076923077 1.82123076923077 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HD+ ) 3.5629 1.58684615384615 1.58684615384615 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HD+ ) 3.6558 1.65830769230769 1.65830769230769 
 assign ( resid 43 and name HB ) ( resid 12 and name HD+ ) 3.5399 1.56915384615385 1.56915384615385 
 assign ( resid 43 and name HB ) ( resid 12 and name HD+ ) 4.0574 1.96723076923077 1.96723076923077 
 assign ( resid 43 and name HB ) ( resid 12 and name HZ ) 2.8966 1.07430769230769 1.07430769230769 
 assign ( resid 16 and name HB1 ) ( resid 56 and name HE1 ) 3.5529 1.57915384615385 1.57915384615385 
 assign ( resid 16 and name HB2 ) ( resid 56 and name HE1 ) 3.4051 1.46546153846154 1.46546153846154 
 assign ( resid 17 and name HB1 ) ( resid 56 and name HE1 ) 3.7883 1.76023076923077 1.76023076923077 
 assign ( resid 17 and name HB2 ) ( resid 56 and name HE1 ) 3.5103 1.54638461538462 1.54638461538462 
 assign ( resid 16 and name HA ) ( resid 56 and name HE1 ) 4.5213 2.32407692307692 2.32407692307692 
 assign ( resid 13 and name HB1 ) ( resid 56 and name HE1 ) 3.7969 1.76684615384615 1.76684615384615 
 assign ( resid 13 and name HB2 ) ( resid 56 and name HE1 ) 3.4196 1.47661538461538 1.47661538461538 
 assign ( resid 14 and name HA ) ( resid 56 and name HE1 ) 3.8058 1.77369230769231 1.77369230769231 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HN ) 3.6224 1.63261538461538 1.63261538461538 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HN ) 3.7974 1.76723076923077 1.76723076923077 
 assign ( resid 37 and name HB1 ) ( resid 39 and name HN ) 3.6938 1.68753846153846 1.68753846153846 
 assign ( resid 37 and name HB2 ) ( resid 39 and name HN ) 3.2228 1.32523076923077 1.32523076923077 
 assign ( resid 47 and name HD+ ) ( resid 46 and name HN ) 3.9726 1.902 1.902 
 assign ( resid 29 and name HD+ ) ( resid 26 and name HN ) 3.4415 1.49346153846154 1.49346153846154 
 assign ( resid 29 and name HB2 ) ( resid 26 and name HN ) 3.1889 1.29915384615385 1.29915384615385 
 assign ( resid 29 and name HB1 ) ( resid 26 and name HN ) 3.7407 1.72361538461538 1.72361538461538 
 assign ( resid 30 and name HG1 ) ( resid 26 and name HN ) 3.4114 1.47030769230769 1.47030769230769 
 assign ( resid 30 and name HG2 ) ( resid 26 and name HN ) 3.4839 1.52607692307692 1.52607692307692 
 assign ( resid 29 and name HD+ ) ( resid 30 and name HN ) 4.0736 1.97969230769231 1.97969230769231 
 assign ( resid 55 and name HB2 ) ( resid 56 and name HN ) 2.3311 0.639307692307692 0.639307692307692 
 assign ( resid 55 and name HG1 ) ( resid 56 and name HN ) 3.7069 1.69761538461538 1.69761538461538 
 assign ( resid 55 and name HG2 ) ( resid 56 and name HN ) 3.8108 1.77753846153846 1.77753846153846 
 assign ( resid 26 and name HD+ ) ( resid 28 and name HN ) 3.5580 1.58307692307692 1.58307692307692 
 assign ( resid 48 and name HB ) ( resid 47 and name HN ) 3.6328 1.64061538461538 1.64061538461538 
 assign ( resid 48 and name HD+ ) ( resid 47 and name HN ) 3.6420 1.64769230769231 1.64769230769231 
 assign ( resid 34 and name HD+ ) ( resid 19 and name HD+ ) 3.7591 1.73776923076923 1.73776923076923 
 assign ( resid 34 and name HD+ ) ( resid 19 and name HD+ ) 3.2292 1.33015384615385 1.33015384615385 
 assign ( resid 34 and name HD+ ) ( resid 19 and name HN ) 3.8690 1.82230769230769 1.82230769230769 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HN ) 3.8495 1.80730769230769 1.80730769230769 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HN ) 3.5328 1.56369230769231 1.56369230769231 
 assign ( resid 30 and name HB2 ) ( resid 31 and name HN ) 3.4346 1.48815384615385 1.48815384615385 
 assign ( resid 37 and name HB1 ) ( resid 40 and name HN ) 3.5033 1.541 1.541 
 assign ( resid 37 and name HB2 ) ( resid 40 and name HN ) 2.4287 0.714384615384615 0.714384615384615 
 assign ( resid 52 and name HD+ ) ( resid 43 and name HD+ ) 4.0336 1.94892307692308 1.94892307692308 
 assign ( resid 52 and name HD+ ) ( resid 43 and name HD+ ) 2.9698 1.13061538461538 1.13061538461538 
 assign ( resid 48 and name HD+ ) ( resid 52 and name HD+ ) 3.1462 1.26630769230769 1.26630769230769 
 assign ( resid 19 and name HB1 ) ( resid 34 and name HD+ ) 3.1264 1.25107692307692 1.25107692307692 
 assign ( resid 19 and name HB2 ) ( resid 34 and name HD+ ) 3.2326 1.33276923076923 1.33276923076923 
 assign ( resid 19 and name HB2 ) ( resid 21 and name HD+ ) 3.2138 1.31830769230769 1.31830769230769 
 assign ( resid 19 and name HB1 ) ( resid 21 and name HD+ ) 3.6208 1.63138461538462 1.63138461538462 
 assign ( resid 21 and name HD+ ) ( resid 34 and name HD+ ) 3.1727 1.28669230769231 1.28669230769231 
 assign ( resid 21 and name HD+ ) ( resid 34 and name HD+ ) 2.8291 1.02238461538462 1.02238461538462 
 assign ( resid 12 and name HA ) ( resid 15 and name HD+ ) 3.3138 1.39523076923077 1.39523076923077 
 assign ( resid 12 and name HA ) ( resid 15 and name HD+ ) 3.7431 1.72546153846154 1.72546153846154 
 assign ( resid 12 and name HA ) ( resid 15 and name HB1 ) 2.9798 1.13830769230769 1.13830769230769 
 assign ( resid 12 and name HA ) ( resid 15 and name HB2 ) 2.5285 0.791153846153846 0.791153846153846 
 assign ( resid 12 and name HA ) ( resid 15 and name HG ) 3.3724 1.44030769230769 1.44030769230769 
 assign ( resid 31 and name HA ) ( resid 34 and name HD+ ) 3.8830 1.83307692307692 1.83307692307692 
 assign ( resid 31 and name HA ) ( resid 34 and name HG11 ) 2.6612 0.893230769230769 0.893230769230769 
 assign ( resid 31 and name HA ) ( resid 34 and name HD+ ) 3.0127 1.16361538461538 1.16361538461538 
 assign ( resid 12 and name HB2 ) ( resid 43 and name HD+ ) 3.9110 1.85461538461538 1.85461538461538 
 assign ( resid 23 and name HA ) ( resid 57 and name HA ) 3.3363 1.41253846153846 1.41253846153846 
 assign ( resid 11 and name HD+ ) ( resid 12 and name HD+ ) 3.3702 1.43861538461538 1.43861538461538 
 assign ( resid 11 and name HD+ ) ( resid 12 and name HD+ ) 3.8184 1.78338461538462 1.78338461538462 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HD+ ) 3.8288 1.79138461538462 1.79138461538462 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HD+ ) 3.9251 1.86546153846154 1.86546153846154 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HD+ ) 4.0746 1.98046153846154 1.98046153846154 
 assign ( resid 11 and name HB ) ( resid 12 and name HD+ ) 3.1604 1.27723076923077 1.27723076923077 
 assign ( resid 11 and name HB ) ( resid 12 and name HD+ ) 3.1526 1.27123076923077 1.27123076923077 
 assign ( resid 15 and name HD+ ) ( resid 19 and name HD+ ) 3.7559 1.73530769230769 1.73530769230769 
 assign ( resid 15 and name HD+ ) ( resid 19 and name HD+ ) 2.7596 0.968923076923077 0.968923076923077 
 assign ( resid 41 and name HA ) ( resid 40 and name HD+ ) 3.6075 1.62115384615385 1.62115384615385 
 assign ( resid 51 and name HA ) ( resid 53 and name HN ) 3.7111 1.70084615384615 1.70084615384615 
 assign ( resid 29 and name HA ) ( resid 31 and name HN ) 3.7089 1.69915384615385 1.69915384615385 
 assign ( resid 38 and name HA ) ( resid 40 and name HN ) 3.5145 1.54961538461538 1.54961538461538 
 assign ( resid 55 and name HA ) ( resid 57 and name HN ) 3.4897 1.53053846153846 1.53053846153846 
 assign ( resid 57 and name HA ) ( resid 23 and name HG1 ) 3.0409 1.18530769230769 1.18530769230769 
 assign ( resid 42 and name HB1 ) ( resid 43 and name HN ) 3.3100 1.39230769230769 1.39230769230769 
 assign ( resid 57 and name HA ) ( resid 23 and name HB2 ) 3.1451 1.26546153846154 1.26546153846154 
 assign ( resid 57 and name HA ) ( resid 23 and name HB1 ) 3.4890 1.53 1.53 
 assign ( resid 57 and name HA ) ( resid 23 and name HD2 ) 3.4890 1.53 1.53 
 assign ( resid 57 and name HA ) ( resid 23 and name HG2 ) 3.6075 1.62115384615385 1.62115384615385 
 assign ( resid 14 and name HA ) ( resid 18 and name HN ) 3.5113 1.54715384615385 1.54715384615385 
 assign ( resid 52 and name HA ) ( resid 56 and name HN ) 3.5497 1.57669230769231 1.57669230769231 
 assign ( resid 52 and name HD+ ) ( resid 13 and name HN ) 3.9819 1.90915384615385 1.90915384615385 
 assign ( resid 9 and name HA ) ( resid 13 and name HN ) 3.4834 1.52569230769231 1.52569230769231 
 assign ( resid 17 and name HN ) ( resid 56 and name HE1 ) 3.1829 1.29453846153846 1.29453846153846 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HE1 ) 3.8643 1.81869230769231 1.81869230769231 
 assign ( resid 16 and name HN ) ( resid 56 and name HE1 ) 3.8383 1.79869230769231 1.79869230769231 
 assign ( resid 16 and name HN ) ( resid 18 and name HN ) 3.4860 1.52769230769231 1.52769230769231 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HN ) 3.6296 1.63815384615385 1.63815384615385 
 assign ( resid 50 and name HN ) ( resid 27 and name HE1 ) 3.7889 1.76069230769231 1.76069230769231 
 assign ( resid 29 and name HN ) ( resid 27 and name HN ) 3.3986 1.46046153846154 1.46046153846154 
 assign ( resid 41 and name HN ) ( resid 39 and name HN ) 3.6406 1.64661538461538 1.64661538461538 
 assign ( resid 48 and name HN ) ( resid 46 and name HN ) 3.6133 1.62561538461538 1.62561538461538 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HN ) 3.3724 1.44030769230769 1.44030769230769 
 assign ( resid 13 and name HZ ) ( resid 56 and name HN ) 3.2127 1.31746153846154 1.31746153846154 
 assign ( resid 27 and name HD1 ) ( resid 28 and name HN ) 3.2725 1.36346153846154 1.36346153846154 
 assign ( resid 30 and name HN ) ( resid 28 and name HN ) 3.8050 1.77307692307692 1.77307692307692 
 assign ( resid 11 and name HN ) ( resid 13 and name HN ) 3.4986 1.53738461538462 1.53738461538462 
 assign ( resid 12 and name HD+ ) ( resid 13 and name HN ) 3.8566 1.81276923076923 1.81276923076923 
 assign ( resid 15 and name HN ) ( resid 13 and name HN ) 3.5766 1.59738461538462 1.59738461538462 
 assign ( resid 16 and name HD+ ) ( resid 13 and name HN ) 3.9976 1.92123076923077 1.92123076923077 
 assign ( resid 25 and name HN ) ( resid 26 and name HN ) 3.8206 1.78507692307692 1.78507692307692 
 assign ( resid 29 and name HN ) ( resid 26 and name HN ) 3.4838 1.526 1.526 
 assign ( resid 24 and name HD+ ) ( resid 23 and name HN ) 3.8220 1.78615384615385 1.78615384615385 
 assign ( resid 25 and name HN ) ( resid 23 and name HN ) 3.6804 1.67723076923077 1.67723076923077 
 assign ( resid 5 and name HN ) ( resid 8 and name HN ) 2.9117 1.08592307692308 1.08592307692308 
 assign ( resid 29 and name HN ) ( resid 31 and name HN ) 3.3463 1.42023076923077 1.42023076923077 
 assign ( resid 33 and name HN ) ( resid 31 and name HN ) 3.7299 1.71530769230769 1.71530769230769 
 assign ( resid 49 and name HN ) ( resid 47 and name HN ) 3.3768 1.44369230769231 1.44369230769231 
 assign ( resid 32 and name HN ) ( resid 30 and name HN ) 3.8358 1.79676923076923 1.79676923076923 
 assign ( resid 41 and name HD+ ) ( resid 40 and name HN ) 3.9406 1.87738461538462 1.87738461538462 
 assign ( resid 42 and name HN ) ( resid 40 and name HN ) 3.5823 1.60176923076923 1.60176923076923 
 assign ( resid 27 and name HE3 ) ( resid 30 and name HN ) 3.7997 1.769 1.769 
 assign ( resid 56 and name HZ3 ) ( resid 23 and name HN ) 3.7711 1.747 1.747 
 assign ( resid 51 and name HN ) ( resid 53 and name HN ) 3.6830 1.67923076923077 1.67923076923077 
 assign ( resid 56 and name HE3 ) ( resid 57 and name HN ) 3.0099 1.16146153846154 1.16146153846154 
 assign ( resid 56 and name HZ3 ) ( resid 57 and name HN ) 3.7094 1.69953846153846 1.69953846153846 
 assign ( resid 14 and name HN ) ( resid 16 and name HN ) 3.8020 1.77076923076923 1.77076923076923 
 assign ( resid 19 and name HD+ ) ( resid 20 and name HN ) 3.9586 1.89123076923077 1.89123076923077 
 assign ( resid 13 and name HZ ) ( resid 55 and name HN ) 3.8992 1.84553846153846 1.84553846153846 
 assign ( resid 19 and name HN ) ( resid 17 and name HN ) 3.2413 1.33946153846154 1.33946153846154 
 assign ( resid 15 and name HN ) ( resid 17 and name HN ) 3.5827 1.60207692307692 1.60207692307692 
 assign ( resid 16 and name HD+ ) ( resid 17 and name HN ) 3.7694 1.74569230769231 1.74569230769231 
 assign ( resid 12 and name HZ ) ( resid 42 and name HN ) 3.4679 1.51376923076923 1.51376923076923 
 assign ( resid 49 and name HN ) ( resid 50 and name HN ) 2.6979 0.921461538461538 0.921461538461538 
 assign ( resid 48 and name HN ) ( resid 50 and name HN ) 3.2657 1.35823076923077 1.35823076923077 
 assign ( resid 49 and name HE ) ( resid 27 and name HZ2 ) 3.1411 1.26238461538462 1.26238461538462 
 assign ( resid 40 and name HD+ ) ( resid 27 and name HZ2 ) 3.2793 1.36869230769231 1.36869230769231 
 assign ( resid 40 and name HZ ) ( resid 27 and name HZ2 ) 2.9539 1.11838461538462 1.11838461538462 
 assign ( resid 13 and name HD+ ) ( resid 14 and name HN ) 4.0352 1.95015384615385 1.95015384615385 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HN ) 3.1962 1.30476923076923 1.30476923076923 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HN ) 3.4190 1.47615384615385 1.47615384615385 
 assign ( resid 56 and name HD1 ) ( resid 13 and name HD+ ) 3.7893 1.761 1.761 
 assign ( resid 10 and name HD22 ) ( resid 13 and name HD+ ) 3.7628 1.74061538461538 1.74061538461538 
 assign ( resid 10 and name HD22 ) ( resid 13 and name HZ ) 3.1829 1.29453846153846 1.29453846153846 
 assign ( resid 25 and name HB1 ) ( resid 30 and name HE22 ) 3.3235 1.40269230769231 1.40269230769231 
 assign ( resid 25 and name HB2 ) ( resid 30 and name HE22 ) 3.2449 1.34223076923077 1.34223076923077 
 assign ( resid 58 and name HN ) ( resid 56 and name HN ) 3.5423 1.571 1.571 
 assign ( resid 27 and name HH2 ) ( resid 40 and name HD+ ) 2.9411 1.10853846153846 1.10853846153846 
 assign ( resid 27 and name HH2 ) ( resid 40 and name HZ ) 3.5989 1.61453846153846 1.61453846153846 
 assign ( resid 56 and name HD1 ) ( resid 13 and name HD+ ) 3.1239 1.24915384615385 1.24915384615385 
 assign ( resid 40 and name HD+ ) ( resid 41 and name HD+ ) 3.9659 1.89684615384615 1.89684615384615 
 assign ( resid 38 and name HA ) ( resid 41 and name HD+ ) 3.7160 1.70461538461538 1.70461538461538 
 assign ( resid 52 and name HA ) ( resid 13 and name HD+ ) 3.4440 1.49538461538462 1.49538461538462 
 assign ( resid 56 and name HA ) ( resid 13 and name HD+ ) 3.7549 1.73453846153846 1.73453846153846 
 assign ( resid 56 and name HB2 ) ( resid 13 and name HD+ ) 3.8619 1.81684615384615 1.81684615384615 
 assign ( resid 52 and name HB2 ) ( resid 13 and name HD+ ) 3.5483 1.57561538461538 1.57561538461538 
 assign ( resid 56 and name HB1 ) ( resid 13 and name HD+ ) 3.5952 1.61169230769231 1.61169230769231 
 assign ( resid 55 and name HB2 ) ( resid 13 and name HD+ ) 3.8842 1.834 1.834 
 assign ( resid 52 and name HB1 ) ( resid 13 and name HD+ ) 3.3525 1.425 1.425 
 assign ( resid 52 and name HD+ ) ( resid 13 and name HD+ ) 4.1917 2.07053846153846 2.07053846153846 
 assign ( resid 52 and name HD+ ) ( resid 13 and name HD+ ) 3.3071 1.39007692307692 1.39007692307692 
 assign ( resid 9 and name HG1 ) ( resid 13 and name HD+ ) 3.6265 1.63576923076923 1.63576923076923 
 assign ( resid 9 and name HG2 ) ( resid 13 and name HD+ ) 3.8534 1.81030769230769 1.81030769230769 
 assign ( resid 25 and name HB1 ) ( resid 30 and name HE21 ) 3.4236 1.47969230769231 1.47969230769231 
 assign ( resid 25 and name HB2 ) ( resid 30 and name HE21 ) 3.6002 1.61553846153846 1.61553846153846 
 assign ( resid 49 and name HA ) ( resid 27 and name HZ2 ) 3.7461 1.72776923076923 1.72776923076923 
 assign ( resid 49 and name HB1 ) ( resid 27 and name HZ2 ) 2.9616 1.12430769230769 1.12430769230769 
 assign ( resid 49 and name HB2 ) ( resid 27 and name HZ2 ) 2.9045 1.08038461538462 1.08038461538462 
 assign ( resid 49 and name HG1 ) ( resid 27 and name HZ2 ) 3.6837 1.67976923076923 1.67976923076923 
 assign ( resid 49 and name HD2 ) ( resid 27 and name HZ2 ) 2.9544 1.11876923076923 1.11876923076923 
 assign ( resid 49 and name HD1 ) ( resid 27 and name HZ2 ) 3.1691 1.28392307692308 1.28392307692308 
 assign ( resid 52 and name HD+ ) ( resid 13 and name HD+ ) 4.2159 2.08915384615385 2.08915384615385 
 assign ( resid 52 and name HD+ ) ( resid 13 and name HD+ ) 3.7613 1.73946153846154 1.73946153846154 
 assign ( resid 56 and name HA ) ( resid 13 and name HD+ ) 4.1323 2.02484615384615 2.02484615384615 
 assign ( resid 56 and name HB1 ) ( resid 13 and name HD+ ) 3.4342 1.48784615384615 1.48784615384615 
 assign ( resid 55 and name HB2 ) ( resid 13 and name HD+ ) 4.0649 1.973 1.973 
 assign ( resid 52 and name HB1 ) ( resid 13 and name HD+ ) 3.6918 1.686 1.686 
 assign ( resid 9 and name HG2 ) ( resid 13 and name HD+ ) 4.1168 2.01292307692308 2.01292307692308 
 assign ( resid 34 and name HA ) ( resid 19 and name HD+ ) 3.8181 1.78315384615385 1.78315384615385 
 assign ( resid 15 and name HA ) ( resid 19 and name HD+ ) 3.3980 1.46 1.46 
 assign ( resid 18 and name HB1 ) ( resid 19 and name HD+ ) 3.3455 1.41961538461538 1.41961538461538 
 assign ( resid 18 and name HB2 ) ( resid 19 and name HD+ ) 3.4655 1.51192307692308 1.51192307692308 
 assign ( resid 34 and name HB ) ( resid 19 and name HD+ ) 3.5808 1.60061538461538 1.60061538461538 
 assign ( resid 18 and name HG2 ) ( resid 19 and name HD+ ) 3.4248 1.48061538461538 1.48061538461538 
 assign ( resid 18 and name HD2 ) ( resid 19 and name HD+ ) 3.5818 1.60138461538462 1.60138461538462 
 assign ( resid 15 and name HD+ ) ( resid 19 and name HD+ ) 4.1647 2.04976923076923 2.04976923076923 
 assign ( resid 15 and name HD+ ) ( resid 19 and name HD+ ) 3.1363 1.25869230769231 1.25869230769231 
 assign ( resid 18 and name HG1 ) ( resid 19 and name HD+ ) 3.4024 1.46338461538462 1.46338461538462 
 assign ( resid 34 and name HB ) ( resid 19 and name HD+ ) 3.9541 1.88776923076923 1.88776923076923 
 assign ( resid 18 and name HD2 ) ( resid 19 and name HD+ ) 3.8370 1.79769230769231 1.79769230769231 
 assign ( resid 34 and name HA ) ( resid 19 and name HD+ ) 3.6825 1.67884615384615 1.67884615384615 
 assign ( resid 37 and name HB1 ) ( resid 19 and name HD+ ) 3.4707 1.51592307692308 1.51592307692308 
 assign ( resid 37 and name HB2 ) ( resid 19 and name HD+ ) 3.6260 1.63538461538462 1.63538461538462 
 assign ( resid 52 and name HD+ ) ( resid 9 and name HN ) 3.9080 1.85230769230769 1.85230769230769 
 assign ( resid 23 and name HA ) ( resid 56 and name HZ3 ) 2.9118 1.086 1.086 
 assign ( resid 21 and name HD+ ) ( resid 56 and name HZ3 ) 2.3632 0.664 0.664 
 assign ( resid 21 and name HB1 ) ( resid 56 and name HZ3 ) 3.1864 1.29723076923077 1.29723076923077 
 assign ( resid 21 and name HB2 ) ( resid 56 and name HZ3 ) 2.8627 1.04823076923077 1.04823076923077 
 assign ( resid 56 and name HB2 ) ( resid 16 and name HD+ ) 3.2895 1.37653846153846 1.37653846153846 
 assign ( resid 13 and name HA ) ( resid 56 and name HZ3 ) 2.1710 0.516153846153846 0.516153846153846 
 assign ( resid 13 and name HB2 ) ( resid 56 and name HZ3 ) 3.6175 1.62884615384615 1.62884615384615 
 assign ( resid 56 and name HB1 ) ( resid 16 and name HD+ ) 3.1044 1.23415384615385 1.23415384615385 
 assign ( resid 21 and name HG ) ( resid 56 and name HZ3 ) 3.2561 1.35084615384615 1.35084615384615 
 assign ( resid 15 and name HB2 ) ( resid 16 and name HD+ ) 3.9241 1.86469230769231 1.86469230769231 
 assign ( resid 15 and name HB1 ) ( resid 16 and name HD+ ) 3.9533 1.88715384615385 1.88715384615385 
 assign ( resid 15 and name HD+ ) ( resid 16 and name HD+ ) 3.8327 1.79438461538462 1.79438461538462 
 assign ( resid 18 and name HA ) ( resid 19 and name HD+ ) 4.0899 1.99223076923077 1.99223076923077 
 assign ( resid 56 and name HA ) ( resid 13 and name HZ ) 3.3724 1.44030769230769 1.44030769230769 
 assign ( resid 9 and name HD2 ) ( resid 13 and name HZ ) 3.6790 1.67615384615385 1.67615384615385 
 assign ( resid 55 and name HG2 ) ( resid 13 and name HZ ) 3.5845 1.60346153846154 1.60346153846154 
 assign ( resid 55 and name HB2 ) ( resid 13 and name HZ ) 2.6059 0.850692307692308 0.850692307692308 
 assign ( resid 55 and name HG1 ) ( resid 13 and name HZ ) 3.1218 1.24753846153846 1.24753846153846 
 assign ( resid 9 and name HG2 ) ( resid 13 and name HZ ) 3.7190 1.70692307692308 1.70692307692308 
 assign ( resid 10 and name HA ) ( resid 14 and name HN ) 3.3394 1.41492307692308 1.41492307692308 
 assign ( resid 17 and name HB2 ) ( resid 56 and name HZ2 ) 3.5376 1.56738461538462 1.56738461538462 
 assign ( resid 17 and name HB1 ) ( resid 56 and name HZ2 ) 3.4546 1.50353846153846 1.50353846153846 
 assign ( resid 13 and name HB2 ) ( resid 56 and name HD1 ) 2.5124 0.778769230769231 0.778769230769231 
 assign ( resid 13 and name HA ) ( resid 56 and name HD1 ) 2.4739 0.749153846153846 0.749153846153846 
 assign ( resid 13 and name HB1 ) ( resid 56 and name HD1 ) 3.0561 1.197 1.197 
 assign ( resid 12 and name HB1 ) ( resid 56 and name HZ3 ) 3.7430 1.72538461538462 1.72538461538462 
 assign ( resid 15 and name HG ) ( resid 16 and name HD+ ) 3.5230 1.55615384615385 1.55615384615385 
 assign ( resid 16 and name HB1 ) ( resid 56 and name HZ2 ) 3.5987 1.61438461538462 1.61438461538462 
 assign ( resid 16 and name HB2 ) ( resid 56 and name HZ2 ) 3.6213 1.63176923076923 1.63176923076923 
 assign ( resid 21 and name HD+ ) ( resid 56 and name HH2 ) 3.9001 1.84623076923077 1.84623076923077 
 assign ( resid 21 and name HD+ ) ( resid 56 and name HH2 ) 3.9478 1.88292307692308 1.88292307692308 
 assign ( resid 21 and name HB1 ) ( resid 56 and name HH2 ) 3.3029 1.38684615384615 1.38684615384615 
 assign ( resid 21 and name HB2 ) ( resid 56 and name HH2 ) 2.9288 1.09907692307692 1.09907692307692 
 assign ( resid 21 and name HG ) ( resid 56 and name HH2 ) 3.6855 1.68115384615385 1.68115384615385 
 assign ( resid 23 and name HE2 ) ( resid 56 and name HZ2 ) 3.4974 1.53646153846154 1.53646153846154 
 assign ( resid 15 and name HB1 ) ( resid 12 and name HD+ ) 4.0548 1.96523076923077 1.96523076923077 
 assign ( resid 15 and name HB2 ) ( resid 12 and name HD+ ) 4.0610 1.97 1.97 
 assign ( resid 42 and name HB2 ) ( resid 12 and name HD+ ) 4.0565 1.96653846153846 1.96653846153846 
 assign ( resid 42 and name HB2 ) ( resid 12 and name HD+ ) 3.3402 1.41553846153846 1.41553846153846 
 assign ( resid 42 and name HB2 ) ( resid 12 and name HZ ) 3.5961 1.61238461538462 1.61238461538462 
 assign ( resid 42 and name HB1 ) ( resid 12 and name HZ ) 3.7934 1.76415384615385 1.76415384615385 
 assign ( resid 43 and name HG12 ) ( resid 12 and name HD+ ) 3.4075 1.46730769230769 1.46730769230769 
 assign ( resid 43 and name HG12 ) ( resid 12 and name HD+ ) 3.8473 1.80561538461538 1.80561538461538 
 assign ( resid 43 and name HG12 ) ( resid 12 and name HZ ) 3.6136 1.62584615384615 1.62584615384615 
 assign ( resid 43 and name HG11 ) ( resid 12 and name HD+ ) 3.2935 1.37961538461538 1.37961538461538 
 assign ( resid 43 and name HG11 ) ( resid 12 and name HD+ ) 4.1249 2.01915384615385 2.01915384615385 
 assign ( resid 43 and name HG11 ) ( resid 12 and name HZ ) 3.3486 1.422 1.422 
 assign ( resid 5 and name HB2 ) ( resid 6 and name HN ) 3.3982 1.46015384615385 1.46015384615385 
 assign ( resid 53 and name HB2 ) ( resid 27 and name HZ3 ) 3.3129 1.39453846153846 1.39453846153846 
 assign ( resid 53 and name HB1 ) ( resid 27 and name HZ3 ) 2.9437 1.11053846153846 1.11053846153846 
 assign ( resid 53 and name HB2 ) ( resid 27 and name HE3 ) 3.2863 1.37407692307692 1.37407692307692 
 assign ( resid 53 and name HB1 ) ( resid 27 and name HE3 ) 2.8096 1.00738461538462 1.00738461538462 
 assign ( resid 49 and name HD2 ) ( resid 27 and name HH2 ) 3.5727 1.59438461538462 1.59438461538462 
 assign ( resid 49 and name HD1 ) ( resid 27 and name HH2 ) 3.2204 1.32338461538462 1.32338461538462 
 assign ( resid 49 and name HB2 ) ( resid 27 and name HH2 ) 3.5789 1.59915384615385 1.59915384615385 
 assign ( resid 49 and name HB1 ) ( resid 27 and name HH2 ) 3.1440 1.26461538461538 1.26461538461538 
 assign ( resid 49 and name HG1 ) ( resid 27 and name HH2 ) 3.3453 1.41946153846154 1.41946153846154 
 assign ( resid 49 and name HG2 ) ( resid 27 and name HH2 ) 3.7131 1.70238461538462 1.70238461538462 
 assign ( resid 50 and name HB2 ) ( resid 27 and name HD1 ) 3.1731 1.287 1.287 
 assign ( resid 50 and name HB1 ) ( resid 27 and name HD1 ) 2.7187 0.937461538461539 0.937461538461539 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HD+ ) 3.2985 1.38346153846154 1.38346153846154 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HD+ ) 3.9654 1.89646153846154 1.89646153846154 
 assign ( resid 34 and name HD+ ) ( resid 40 and name HD+ ) 4.0496 1.96123076923077 1.96123076923077 
 assign ( resid 34 and name HB ) ( resid 40 and name HD+ ) 3.3510 1.42384615384615 1.42384615384615 
 assign ( resid 34 and name HD+ ) ( resid 40 and name HD+ ) 2.9571 1.12084615384615 1.12084615384615 
 assign ( resid 34 and name HG11 ) ( resid 40 and name HD+ ) 3.6325 1.64038461538462 1.64038461538462 
 assign ( resid 34 and name HG12 ) ( resid 40 and name HD+ ) 3.2353 1.33484615384615 1.33484615384615 
 assign ( resid 28 and name HB1 ) ( resid 30 and name HN ) 3.7160 1.70461538461538 1.70461538461538 
 assign ( resid 10 and name HA ) ( resid 13 and name HD+ ) 3.6279 1.63684615384615 1.63684615384615 
 assign ( resid 26 and name HD+ ) ( resid 29 and name HN ) 3.6875 1.68269230769231 1.68269230769231 
 assign ( resid 11 and name HA ) ( resid 15 and name HN ) 3.6010 1.61615384615385 1.61615384615385 
 assign ( resid 56 and name HB1 ) ( resid 16 and name HD+ ) 3.5207 1.55438461538462 1.55438461538462 
 assign ( resid 56 and name HB2 ) ( resid 16 and name HD+ ) 3.6758 1.67369230769231 1.67369230769231 
 assign ( resid 56 and name HA ) ( resid 13 and name HD+ ) 4.1323 2.02484615384615 2.02484615384615 
 assign ( resid 53 and name HA ) ( resid 56 and name HE3 ) 3.3707 1.439 1.439 
 assign ( resid 9 and name HD1 ) ( resid 10 and name HD22 ) 3.1061 1.23546153846154 1.23546153846154 
 assign ( resid 9 and name HD2 ) ( resid 10 and name HD22 ) 2.9238 1.09523076923077 1.09523076923077 
 assign ( resid 9 and name HB1 ) ( resid 10 and name HD22 ) 3.7253 1.71176923076923 1.71176923076923 
 assign ( resid 9 and name HG1 ) ( resid 10 and name HD22 ) 3.0654 1.20415384615385 1.20415384615385 
 assign ( resid 43 and name HB ) ( resid 49 and name HE ) 3.6393 1.64561538461538 1.64561538461538 
 assign ( resid 43 and name HD+ ) ( resid 49 and name HE ) 3.9664 1.89723076923077 1.89723076923077 
 assign ( resid 29 and name HD+ ) ( resid 30 and name HE21 ) 3.9066 1.85123076923077 1.85123076923077 
 assign ( resid 29 and name HB1 ) ( resid 30 and name HE21 ) 3.6406 1.64661538461538 1.64661538461538 
 assign ( resid 29 and name HB2 ) ( resid 30 and name HE21 ) 3.5632 1.58707692307692 1.58707692307692 
 assign ( resid 29 and name HB2 ) ( resid 30 and name HE22 ) 3.3342 1.41092307692308 1.41092307692308 
 assign ( resid 29 and name HD+ ) ( resid 30 and name HE22 ) 3.9588 1.89138461538462 1.89138461538462 
 assign ( resid 29 and name HB1 ) ( resid 30 and name HE22 ) 3.3066 1.38969230769231 1.38969230769231 
 assign ( resid 31 and name HB2 ) ( resid 40 and name HZ ) 3.1729 1.28684615384615 1.28684615384615 
 assign ( resid 31 and name HB2 ) ( resid 40 and name HD+ ) 3.4154 1.47338461538462 1.47338461538462 
 assign ( resid 34 and name HG12 ) ( resid 40 and name HZ ) 3.3898 1.45369230769231 1.45369230769231 
 assign ( resid 31 and name HB1 ) ( resid 40 and name HD+ ) 3.4692 1.51476923076923 1.51476923076923 
 assign ( resid 52 and name HB1 ) ( resid 16 and name HD+ ) 3.2865 1.37423076923077 1.37423076923077 
 assign ( resid 52 and name HB2 ) ( resid 16 and name HD+ ) 3.6170 1.62846153846154 1.62846153846154 
 assign ( resid 53 and name HB2 ) ( resid 16 and name HZ ) 3.3983 1.46023076923077 1.46023076923077 
 assign ( resid 53 and name HB1 ) ( resid 16 and name HZ ) 3.0511 1.19315384615385 1.19315384615385 
 assign ( resid 9 and name HA ) ( resid 12 and name HD+ ) 3.8896 1.83815384615385 1.83815384615385 
 assign ( resid 8 and name HA ) ( resid 12 and name HD+ ) 3.7823 1.75561538461538 1.75561538461538 
 assign ( resid 50 and name HG2 ) ( resid 51 and name HN ) 3.2318 1.33215384615385 1.33215384615385 
 assign ( resid 50 and name HG2 ) ( resid 27 and name HD1 ) 3.1931 1.30238461538462 1.30238461538462 
 assign ( resid 50 and name HG2 ) ( resid 27 and name HE3 ) 3.4699 1.51530769230769 1.51530769230769 
 assign ( resid 11 and name HD+ ) ( resid 15 and name HN ) 3.8864 1.83569230769231 1.83569230769231 
 assign ( resid 35 and name HG2 ) ( resid 40 and name HD+ ) 3.5840 1.60307692307692 1.60307692307692 
 assign ( resid 16 and name HB1 ) ( resid 56 and name HH2 ) 3.6953 1.68869230769231 1.68869230769231 
 assign ( resid 31 and name HB2 ) ( resid 27 and name HZ2 ) 3.4699 1.51530769230769 1.51530769230769 
 assign ( resid 31 and name HB1 ) ( resid 27 and name HZ2 ) 3.5835 1.60269230769231 1.60269230769231 
 assign ( resid 48 and name HD+ ) ( resid 52 and name HN ) 3.8121 1.77853846153846 1.77853846153846 
 assign ( resid 21 and name HG ) ( resid 34 and name HD+ ) 3.7883 1.76023076923077 1.76023076923077 
 assign ( resid 16 and name HA ) ( resid 15 and name HB2 ) 3.2565 1.35115384615385 1.35115384615385 
 assign ( resid 19 and name HA ) ( resid 34 and name HD+ ) 3.8937 1.84130769230769 1.84130769230769 
 assign ( resid 15 and name HD+ ) ( resid 34 and name HD+ ) 3.6686 1.66815384615385 1.66815384615385 
 assign ( resid 15 and name HG ) ( resid 34 and name HD+ ) 3.1847 1.29592307692308 1.29592307692308 
 assign ( resid 15 and name HD+ ) ( resid 34 and name HD+ ) 3.3133 1.39484615384615 1.39484615384615 
 assign ( resid 8 and name HB2 ) ( resid 43 and name HD+ ) 3.2434 1.34107692307692 1.34107692307692 
 assign ( resid 7 and name HA ) ( resid 6 and name HD+ ) 3.8495 1.80730769230769 1.80730769230769 
 assign ( resid 39 and name HA ) ( resid 11 and name HD+ ) 3.7063 1.69715384615385 1.69715384615385 
 assign ( resid 39 and name HB2 ) ( resid 11 and name HD+ ) 3.5055 1.54269230769231 1.54269230769231 
 assign ( resid 39 and name HB1 ) ( resid 11 and name HD+ ) 2.9939 1.14915384615385 1.14915384615385 
 assign ( resid 39 and name HB2 ) ( resid 15 and name HD+ ) 3.4582 1.50630769230769 1.50630769230769 
 assign ( resid 39 and name HB1 ) ( resid 15 and name HD+ ) 3.5533 1.57946153846154 1.57946153846154 
 assign ( resid 39 and name HB2 ) ( resid 15 and name HD+ ) 3.2519 1.34761538461538 1.34761538461538 
 assign ( resid 39 and name HB1 ) ( resid 15 and name HD+ ) 3.3997 1.46130769230769 1.46130769230769 
 assign ( resid 40 and name HA ) ( resid 15 and name HD+ ) 3.8123 1.77869230769231 1.77869230769231 
 assign ( resid 40 and name HA ) ( resid 15 and name HD+ ) 3.1810 1.29307692307692 1.29307692307692 
 assign ( resid 40 and name HB1 ) ( resid 15 and name HD+ ) 4.0610 1.97 1.97 
 assign ( resid 40 and name HB1 ) ( resid 15 and name HD+ ) 3.8872 1.83630769230769 1.83630769230769 
 assign ( resid 37 and name HB1 ) ( resid 15 and name HD+ ) 3.4479 1.49838461538462 1.49838461538462 
 assign ( resid 37 and name HB2 ) ( resid 15 and name HD+ ) 3.3519 1.42453846153846 1.42453846153846 
 assign ( resid 37 and name HB1 ) ( resid 15 and name HD+ ) 3.9940 1.91846153846154 1.91846153846154 
 assign ( resid 37 and name HB2 ) ( resid 15 and name HD+ ) 3.8872 1.83630769230769 1.83630769230769 
 assign ( resid 34 and name HD+ ) ( resid 15 and name HD+ ) 3.3175 1.39807692307692 1.39807692307692 
 assign ( resid 34 and name HD+ ) ( resid 15 and name HD+ ) 3.3798 1.446 1.446 
 assign ( resid 11 and name HD+ ) ( resid 15 and name HD+ ) 3.9201 1.86161538461538 1.86161538461538 
 assign ( resid 43 and name HD+ ) ( resid 52 and name HD+ ) 3.9333 1.87176923076923 1.87176923076923 
 assign ( resid 9 and name HG2 ) ( resid 52 and name HD+ ) 3.7238 1.71061538461538 1.71061538461538 
 assign ( resid 12 and name HB2 ) ( resid 52 and name HD+ ) 3.1531 1.27161538461538 1.27161538461538 
 assign ( resid 9 and name HA ) ( resid 52 and name HD+ ) 2.9239 1.09530769230769 1.09530769230769 
 assign ( resid 9 and name HA ) ( resid 52 and name HD+ ) 3.0944 1.22646153846154 1.22646153846154 
 assign ( resid 9 and name HG2 ) ( resid 52 and name HD+ ) 2.8139 1.01069230769231 1.01069230769231 
 assign ( resid 8 and name HB2 ) ( resid 52 and name HD+ ) 3.6098 1.62292307692308 1.62292307692308 
 assign ( resid 8 and name HB2 ) ( resid 52 and name HD+ ) 3.8395 1.79961538461538 1.79961538461538 
 assign ( resid 45 and name HB2 ) ( resid 43 and name HD+ ) 3.4352 1.48861538461538 1.48861538461538 
 assign ( resid 45 and name HB1 ) ( resid 43 and name HD+ ) 3.6784 1.67569230769231 1.67569230769231 
 assign ( resid 45 and name HB2 ) ( resid 48 and name HD+ ) 3.2839 1.37223076923077 1.37223076923077 
 assign ( resid 45 and name HB1 ) ( resid 48 and name HD+ ) 3.2838 1.37215384615385 1.37215384615385 
 assign ( resid 51 and name HB2 ) ( resid 48 and name HD+ ) 3.7426 1.72507692307692 1.72507692307692 
 assign ( resid 51 and name HB2 ) ( resid 48 and name HD+ ) 3.7377 1.72130769230769 1.72130769230769 
 assign ( resid 34 and name HA ) ( resid 15 and name HD+ ) 3.8982 1.84476923076923 1.84476923076923 
 assign ( resid 9 and name HB2 ) ( resid 52 and name HD+ ) 4.0413 1.95484615384615 1.95484615384615 
 assign ( resid 9 and name HB1 ) ( resid 52 and name HD+ ) 3.9936 1.91815384615385 1.91815384615385 
 assign ( resid 48 and name HD+ ) ( resid 43 and name HD+ ) 3.1197 1.24592307692308 1.24592307692308 
 assign ( resid 48 and name HB ) ( resid 43 and name HD+ ) 2.8268 1.02061538461538 1.02061538461538 
 assign ( resid 15 and name HB1 ) ( resid 11 and name HD+ ) 3.8420 1.80153846153846 1.80153846153846 
 assign ( resid 9 and name HA ) ( resid 12 and name HB1 ) 3.5833 1.60253846153846 1.60253846153846 
 assign ( resid 9 and name HA ) ( resid 12 and name HB2 ) 3.3143 1.39561538461538 1.39561538461538 
 assign ( resid 15 and name HG ) ( resid 11 and name HD+ ) 3.9796 1.90738461538462 1.90738461538462 
 assign ( resid 42 and name HB2 ) ( resid 11 and name HD+ ) 3.6017 1.61669230769231 1.61669230769231 
 assign ( resid 42 and name HG1 ) ( resid 11 and name HD+ ) 3.8527 1.80976923076923 1.80976923076923 
 assign ( resid 42 and name HG2 ) ( resid 11 and name HD+ ) 3.2300 1.33076923076923 1.33076923076923 
 assign ( resid 42 and name HE2 ) ( resid 11 and name HD+ ) 3.8098 1.77676923076923 1.77676923076923 
 assign ( resid 42 and name HB1 ) ( resid 11 and name HD+ ) 3.1165 1.24346153846154 1.24346153846154 
 assign ( resid 30 and name HA ) ( resid 33 and name HG2 ) 3.4258 1.48138461538462 1.48138461538462 
 assign ( resid 30 and name HA ) ( resid 33 and name HB2 ) 3.6146 1.62661538461538 1.62661538461538 
 assign ( resid 28 and name HB2 ) ( resid 26 and name HD+ ) 3.8524 1.80953846153846 1.80953846153846 
 assign ( resid 30 and name HA ) ( resid 21 and name HD+ ) 3.6791 1.67623076923077 1.67623076923077 
 assign ( resid 30 and name HA ) ( resid 21 and name HD+ ) 3.9889 1.91453846153846 1.91453846153846 
 assign ( resid 30 and name HB2 ) ( resid 21 and name HD+ ) 3.0770 1.21307692307692 1.21307692307692 
 assign ( resid 30 and name HB2 ) ( resid 21 and name HD+ ) 2.8838 1.06446153846154 1.06446153846154 
 assign ( resid 30 and name HG2 ) ( resid 21 and name HD+ ) 3.2348 1.33446153846154 1.33446153846154 
 assign ( resid 30 and name HG2 ) ( resid 21 and name HD+ ) 3.6411 1.647 1.647 
 assign ( resid 18 and name HD1 ) ( resid 19 and name HD+ ) 3.5922 1.60938461538462 1.60938461538462 
 assign ( resid 8 and name HB2 ) ( resid 12 and name HD+ ) 3.9720 1.90153846153846 1.90153846153846 
 assign ( resid 6 and name HD+ ) ( resid 8 and name HN ) 4.0919 1.99376923076923 1.99376923076923 
 assign ( resid 6 and name HD+ ) ( resid 7 and name HN ) 3.9835 1.91038461538462 1.91038461538462 
 assign ( resid 51 and name HA ) ( resid 54 and name HG1 ) 3.0081 1.16007692307692 1.16007692307692 
 assign ( resid 10 and name HA ) ( resid 13 and name HB1 ) 2.8667 1.05130769230769 1.05130769230769 
 assign ( resid 10 and name HA ) ( resid 13 and name HB2 ) 3.0976 1.22892307692308 1.22892307692308 
 assign ( resid 54 and name HA ) ( resid 57 and name HB1 ) 3.4105 1.46961538461538 1.46961538461538 
 assign ( resid 54 and name HA ) ( resid 57 and name HB2 ) 3.0307 1.17746153846154 1.17746153846154 
 assign ( resid 39 and name HA ) ( resid 42 and name HG1 ) 3.1517 1.27053846153846 1.27053846153846 
 assign ( resid 39 and name HA ) ( resid 42 and name HG2 ) 2.7563 0.966384615384615 0.966384615384615 
 assign ( resid 39 and name HA ) ( resid 42 and name HB2 ) 3.5672 1.59015384615385 1.59015384615385 
 assign ( resid 44 and name HA ) ( resid 43 and name HD+ ) 3.9339 1.87223076923077 1.87223076923077 
 assign ( resid 29 and name HA ) ( resid 32 and name HG1 ) 2.5360 0.796923076923077 0.796923076923077 
 assign ( resid 16 and name HA ) ( resid 21 and name HD+ ) 3.6792 1.67630769230769 1.67630769230769 
 assign ( resid 16 and name HA ) ( resid 21 and name HD+ ) 2.9579 1.12146153846154 1.12146153846154 
 assign ( resid 56 and name HA ) ( resid 59 and name HG2 ) 3.3097 1.39207692307692 1.39207692307692 
 assign ( resid 39 and name HA ) ( resid 42 and name HE2 ) 3.2325 1.33269230769231 1.33269230769231 
 assign ( resid 28 and name HB2 ) ( resid 31 and name HA ) 3.6550 1.65769230769231 1.65769230769231 
 assign ( resid 30 and name HG1 ) ( resid 21 and name HB1 ) 3.5154 1.55030769230769 1.55030769230769 
 assign ( resid 7 and name HA ) ( resid 10 and name HB2 ) 3.3145 1.39576923076923 1.39576923076923 
 assign ( resid 5 and name HB1 ) ( resid 6 and name HD+ ) 3.9287 1.86823076923077 1.86823076923077 
 assign ( resid 26 and name HB ) ( resid 28 and name HB2 ) 3.4775 1.52115384615385 1.52115384615385 
 assign ( resid 45 and name HA ) ( resid 46 and name HB1 ) 3.5262 1.55861538461538 1.55861538461538 
 assign ( resid 45 and name HA ) ( resid 46 and name HB2 ) 3.5349 1.56530769230769 1.56530769230769 
 assign ( resid 30 and name HA ) ( resid 33 and name HE2 ) 3.6686 1.66815384615385 1.66815384615385 
 assign ( resid 30 and name HA ) ( resid 33 and name HD2 ) 3.6732 1.67169230769231 1.67169230769231 
 assign ( resid 26 and name HB ) ( resid 27 and name HB1 ) 3.6905 1.685 1.685 
 assign ( resid 38 and name HA ) ( resid 41 and name HB1 ) 3.8649 1.81915384615385 1.81915384615385 
 assign ( resid 30 and name HG1 ) ( resid 21 and name HD+ ) 3.6960 1.68923076923077 1.68923076923077 
 assign ( resid 30 and name HG1 ) ( resid 21 and name HD+ ) 3.7327 1.71746153846154 1.71746153846154 
 assign ( resid 8 and name HG2 ) ( resid 43 and name HG12 ) 3.4848 1.52676923076923 1.52676923076923 
 assign ( resid 57 and name HA ) ( resid 23 and name HD1 ) 3.1460 1.26615384615385 1.26615384615385 
 assign ( resid 35 and name HB2 ) ( resid 36 and name HN ) 3.2997 1.38438461538462 1.38438461538462 
 assign ( resid 6 and name HG12 ) ( resid 7 and name HN ) 3.6006 1.61584615384615 1.61584615384615 
 assign ( resid 6 and name HG11 ) ( resid 7 and name HN ) 3.6979 1.69069230769231 1.69069230769231 
 assign ( resid 23 and name HE2 ) ( resid 56 and name HH2 ) 3.5925 1.60961538461538 1.60961538461538 
 assign ( resid 35 and name HG2 ) ( resid 40 and name HZ ) 3.6415 1.64730769230769 1.64730769230769 
 assign ( resid 14 and name HG2 ) ( resid 15 and name HN ) 3.7632 1.74092307692308 1.74092307692308 
 assign ( resid 14 and name HG1 ) ( resid 15 and name HN ) 3.8050 1.77307692307692 1.77307692307692 
 assign ( resid 6 and name HA ) ( resid 9 and name HB1 ) 3.5138 1.54907692307692 1.54907692307692 
 assign ( resid 6 and name HA ) ( resid 9 and name HB2 ) 3.5709 1.593 1.593 
 assign ( resid 51 and name HB2 ) ( resid 48 and name HA ) 2.5160 0.781538461538462 0.781538461538462 
 assign ( resid 13 and name HA ) ( resid 56 and name HE1 ) 3.4338 1.48753846153846 1.48753846153846 
 assign ( resid 40 and name HA ) ( resid 12 and name HZ ) 2.5754 0.827230769230769 0.827230769230769 
 assign ( resid 43 and name HG11 ) ( resid 44 and name HN ) 3.6369 1.64376923076923 1.64376923076923 
 assign ( resid 41 and name HB2 ) ( resid 42 and name HN ) 3.7467 1.72823076923077 1.72823076923077 
 assign ( resid 16 and name HA ) ( resid 21 and name HN ) 3.5492 1.57630769230769 1.57630769230769 
 assign ( resid 52 and name HD+ ) ( resid 53 and name HN ) 4.0574 1.96723076923077 1.96723076923077 
 assign ( resid 35 and name HG2 ) ( resid 40 and name HD+ ) 3.0299 1.17684615384615 1.17684615384615 
 assign ( resid 50 and name HG1 ) ( resid 51 and name HN ) 3.5997 1.61515384615385 1.61515384615385 
 assign ( resid 50 and name HG1 ) ( resid 27 and name HD1 ) 2.8273 1.021 1.021 
 assign ( resid 46 and name HA ) ( resid 49 and name HE ) 2.8098 1.00753846153846 1.00753846153846 
 assign ( resid 49 and name HA ) ( resid 52 and name HN ) 3.4279 1.483 1.483 
 assign ( resid 18 and name HA ) ( resid 19 and name HD+ ) 3.8462 1.80476923076923 1.80476923076923 
 assign ( resid 43 and name HN ) ( resid 12 and name HZ ) 3.1812 1.29323076923077 1.29323076923077 
 assign ( resid 19 and name HB2 ) ( resid 21 and name HD+ ) 3.6420 1.64769230769231 1.64769230769231 
 assign ( resid 18 and name HA ) ( resid 20 and name HN ) 3.3039 1.38761538461538 1.38761538461538 
 assign ( resid 30 and name HG2 ) ( resid 21 and name HG ) 3.5624 1.58646153846154 1.58646153846154 
 assign ( resid 30 and name HG1 ) ( resid 21 and name HG ) 3.3277 1.40592307692308 1.40592307692308 
 assign ( resid 21 and name HG ) ( resid 30 and name HB1 ) 2.5888 0.837538461538461 0.837538461538461 
 assign ( resid 22 and name HB2 ) ( resid 24 and name HN ) 3.4365 1.48961538461538 1.48961538461538 
 assign ( resid 23 and name HG1 ) ( resid 56 and name HZ3 ) 3.1710 1.28538461538462 1.28538461538462 
 assign ( resid 21 and name HD+ ) ( resid 23 and name HZ1 ) 3.5436 1.572 1.572 
 assign ( resid 21 and name HB1 ) ( resid 23 and name HZ1 ) 3.4929 1.533 1.533 
 assign ( resid 21 and name HB2 ) ( resid 23 and name HZ1 ) 3.6275 1.63653846153846 1.63653846153846 
 assign ( resid 34 and name HD+ ) ( resid 40 and name HD+ ) 3.4013 1.46253846153846 1.46253846153846 
 assign ( resid 34 and name HD+ ) ( resid 40 and name HZ ) 3.6784 1.67569230769231 1.67569230769231 
 assign ( resid 31 and name HB2 ) ( resid 40 and name HD+ ) 3.9316 1.87046153846154 1.87046153846154 
 assign ( resid 31 and name HB1 ) ( resid 40 and name HD+ ) 3.4849 1.52684615384615 1.52684615384615 
 assign ( resid 29 and name HA ) ( resid 32 and name HG2 ) 3.2763 1.36638461538462 1.36638461538462 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HZ ) 3.7354 1.71953846153846 1.71953846153846 
 assign ( resid 40 and name HD+ ) ( resid 41 and name HD+ ) 3.8291 1.79161538461538 1.79161538461538 
 assign ( resid 16 and name HD+ ) ( resid 13 and name HD+ ) 3.5677 1.59053846153846 1.59053846153846 
 assign ( resid 10 and name HD22 ) ( resid 9 and name HE ) 2.5445 0.803461538461539 0.803461538461539 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HZ ) 3.9162 1.85861538461538 1.85861538461538 
 assign ( resid 40 and name HB2 ) ( resid 15 and name HD+ ) 3.7738 1.74907692307692 1.74907692307692 
 assign ( resid 40 and name HB2 ) ( resid 15 and name HD+ ) 3.7841 1.757 1.757 
 assign ( resid 49 and name HA ) ( resid 52 and name HD+ ) 3.2282 1.32938461538462 1.32938461538462 
 assign ( resid 11 and name HA ) ( resid 14 and name HB2 ) 2.8860 1.06615384615385 1.06615384615385 
 assign ( resid 13 and name HA ) ( resid 16 and name HB2 ) 3.4239 1.47992307692308 1.47992307692308 
 assign ( resid 15 and name HA ) ( resid 18 and name HB1 ) 3.6305 1.63884615384615 1.63884615384615 
 assign ( resid 15 and name HA ) ( resid 18 and name HB2 ) 3.2065 1.31269230769231 1.31269230769231 
 assign ( resid 31 and name HA ) ( resid 34 and name HG12 ) 2.7123 0.932538461538461 0.932538461538461 
 assign ( resid 52 and name HA ) ( resid 55 and name HN ) 2.8162 1.01246153846154 1.01246153846154 
 assign ( resid 46 and name HA ) ( resid 49 and name HD2 ) 3.2293 1.33023076923077 1.33023076923077 
 assign ( resid 46 and name HA ) ( resid 49 and name HD1 ) 3.5439 1.57223076923077 1.57223076923077 
 assign ( resid 46 and name HA ) ( resid 49 and name HB2 ) 2.8777 1.05976923076923 1.05976923076923 
 assign ( resid 46 and name HA ) ( resid 49 and name HG2 ) 3.1565 1.27423076923077 1.27423076923077 
 assign ( resid 46 and name HA ) ( resid 49 and name HG1 ) 3.6305 1.63884615384615 1.63884615384615 
 assign ( resid 46 and name HA ) ( resid 49 and name HB1 ) 2.8871 1.067 1.067 
 assign ( resid 49 and name HA ) ( resid 52 and name HB1 ) 3.0612 1.20092307692308 1.20092307692308 
 assign ( resid 49 and name HA ) ( resid 52 and name HB2 ) 3.2892 1.37630769230769 1.37630769230769 
 assign ( resid 51 and name HA ) ( resid 54 and name HB1 ) 3.3494 1.42261538461538 1.42261538461538 
 assign ( resid 51 and name HA ) ( resid 54 and name HG2 ) 3.3949 1.45761538461538 1.45761538461538 
 assign ( resid 8 and name HG2 ) ( resid 43 and name HG11 ) 3.5906 1.60815384615385 1.60815384615385 
 assign ( resid 21 and name HD+ ) ( resid 16 and name HD+ ) 3.8227 1.78669230769231 1.78669230769231 
 assign ( resid 56 and name HB2 ) ( resid 13 and name HD+ ) 3.9245 1.865 1.865 
 assign ( resid 48 and name HD+ ) ( resid 43 and name HD+ ) 2.9040 1.08 1.08 
 assign ( resid 19 and name HB1 ) ( resid 21 and name HD+ ) 3.3946 1.45738461538462 1.45738461538462 
 assign ( resid 45 and name HB2 ) ( resid 48 and name HD+ ) 3.3958 1.45830769230769 1.45830769230769 
 assign ( resid 34 and name HG12 ) ( resid 40 and name HD+ ) 3.4692 1.51476923076923 1.51476923076923 
 assign ( resid 43 and name HD+ ) ( resid 49 and name HN ) 3.3973 1.45946153846154 1.45946153846154 
 assign ( resid 43 and name HD+ ) ( resid 45 and name HN ) 2.7621 0.970846153846154 0.970846153846154 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HD+ ) 3.1470 1.26692307692308 1.26692307692308 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HD+ ) 3.7521 1.73238461538462 1.73238461538462 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HD+ ) 3.0894 1.22261538461538 1.22261538461538 
 assign ( resid 16 and name HA ) ( resid 34 and name HD+ ) 3.6973 1.69023076923077 1.69023076923077 
 assign ( resid 20 and name HG2 ) ( resid 21 and name HN ) 4.5606 2.35430769230769 2.35430769230769 
 assign ( resid 56 and name HH2 ) ( resid 23 and name HN ) 3.6606 1.662 1.662 
 assign ( resid 23 and name HG2 ) ( resid 56 and name HZ3 ) 3.0286 1.17584615384615 1.17584615384615 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HZ ) 3.8271 1.79007692307692 1.79007692307692 
 assign ( resid 43 and name HD+ ) ( resid 48 and name HN ) 3.7426 1.72507692307692 1.72507692307692 
 assign ( resid 45 and name HB2 ) ( resid 48 and name HB ) 3.2654 1.358 1.358 
 assign ( resid 43 and name HG12 ) ( resid 44 and name HN ) 3.9318 1.87061538461538 1.87061538461538 
 assign ( resid 43 and name HB ) ( resid 44 and name HN ) 3.3607 1.43130769230769 1.43130769230769 
 assign ( resid 16 and name HZ ) ( resid 53 and name HN ) 2.9965 1.15115384615385 1.15115384615385 
 assign ( resid 52 and name HD+ ) ( resid 16 and name HZ ) 3.8230 1.78692307692308 1.78692307692308 
 assign ( resid 57 and name HA ) ( resid 56 and name HE3 ) 3.2095 1.315 1.315 
 assign ( resid 33 and name HA ) ( resid 34 and name HD+ ) 3.9499 1.88453846153846 1.88453846153846 
 assign ( resid 31 and name HA ) ( resid 40 and name HD+ ) 3.5398 1.56907692307692 1.56907692307692 
 assign ( resid 6 and name HD+ ) ( resid 9 and name HN ) 3.7336 1.71815384615385 1.71815384615385 
 assign ( resid 6 and name HD+ ) ( resid 9 and name HN ) 3.8080 1.77538461538462 1.77538461538462 
 assign ( resid 52 and name HD+ ) ( resid 9 and name HN ) 3.7323 1.71715384615385 1.71715384615385 
 assign ( resid 9 and name HB2 ) ( resid 52 and name HD+ ) 3.2609 1.35453846153846 1.35453846153846 
 assign ( resid 9 and name HB1 ) ( resid 52 and name HD+ ) 3.1978 1.306 1.306 
 assign ( resid 52 and name HD+ ) ( resid 12 and name HD+ ) 3.4490 1.49923076923077 1.49923076923077 
 assign ( resid 12 and name HA ) ( resid 11 and name HD+ ) 3.3871 1.45161538461538 1.45161538461538 
 assign ( resid 49 and name HA ) ( resid 43 and name HD+ ) 3.6959 1.68915384615385 1.68915384615385 
 assign ( resid 49 and name HG2 ) ( resid 43 and name HD+ ) 3.8617 1.81669230769231 1.81669230769231 
 assign ( resid 8 and name HG2 ) ( resid 43 and name HD+ ) 3.5643 1.58792307692308 1.58792307692308 
 assign ( resid 8 and name HB2 ) ( resid 43 and name HG12 ) 3.3188 1.39907692307692 1.39907692307692 
 assign ( resid 8 and name HB2 ) ( resid 43 and name HG11 ) 3.4023 1.46330769230769 1.46330769230769 
 assign ( resid 12 and name HB1 ) ( resid 43 and name HD+ ) 3.9183 1.86023076923077 1.86023076923077 
 assign ( resid 48 and name HB ) ( resid 43 and name HD+ ) 3.6607 1.66207692307692 1.66207692307692 
 assign ( resid 8 and name HG2 ) ( resid 43 and name HD+ ) 3.8830 1.83307692307692 1.83307692307692 
 assign ( resid 8 and name HB2 ) ( resid 43 and name HD+ ) 3.8048 1.77292307692308 1.77292307692308 
 assign ( resid 8 and name HG2 ) ( resid 52 and name HD+ ) 3.1831 1.29469230769231 1.29469230769231 
 assign ( resid 52 and name HD+ ) ( resid 16 and name HD+ ) 4.0891 1.99161538461538 1.99161538461538 
 assign ( resid 52 and name HB1 ) ( resid 16 and name HZ ) 2.7198 0.938307692307692 0.938307692307692 
 assign ( resid 52 and name HD+ ) ( resid 12 and name HD+ ) 4.3653 2.20407692307692 2.20407692307692 
 assign ( resid 9 and name HG1 ) ( resid 13 and name HZ ) 3.1071 1.23623076923077 1.23623076923077 
 assign ( resid 12 and name HB1 ) ( resid 52 and name HD+ ) 3.1190 1.24538461538462 1.24538461538462 
 assign ( resid 12 and name HB1 ) ( resid 52 and name HD+ ) 3.6739 1.67223076923077 1.67223076923077 
 assign ( resid 12 and name HB2 ) ( resid 52 and name HD+ ) 3.6009 1.61607692307692 1.61607692307692 
 assign ( resid 48 and name HD+ ) ( resid 52 and name HD+ ) 3.0174 1.16723076923077 1.16723076923077 
 assign ( resid 48 and name HD+ ) ( resid 43 and name HD+ ) 3.9329 1.87146153846154 1.87146153846154 
 assign ( resid 34 and name HD+ ) ( resid 35 and name HN ) 3.7225 1.70961538461538 1.70961538461538 
 assign ( resid 34 and name HA ) ( resid 15 and name HD+ ) 3.4618 1.50907692307692 1.50907692307692 
 assign ( resid 16 and name HA ) ( resid 34 and name HD+ ) 3.9339 1.87223076923077 1.87223076923077 
 assign ( resid 31 and name HB2 ) ( resid 34 and name HD+ ) 3.9864 1.91261538461538 1.91261538461538 
 assign ( resid 35 and name HG1 ) ( resid 34 and name HD+ ) 3.4271 1.48238461538462 1.48238461538462 
 assign ( resid 35 and name HB2 ) ( resid 34 and name HD+ ) 3.3813 1.44715384615385 1.44715384615385 
 assign ( resid 35 and name HG2 ) ( resid 34 and name HD+ ) 3.1740 1.28769230769231 1.28769230769231 
 assign ( resid 34 and name HG11 ) ( resid 40 and name HD+ ) 3.8405 1.80038461538462 1.80038461538462 
 assign ( resid 17 and name HA ) ( resid 19 and name HN ) 2.8517 1.03976923076923 1.03976923076923 
 assign ( resid 52 and name HD+ ) ( resid 12 and name HD+ ) 3.8288 1.79138461538462 1.79138461538462 
 assign ( resid 49 and name HA ) ( resid 43 and name HD+ ) 3.7400 1.72307692307692 1.72307692307692 
 assign ( resid 15 and name HB2 ) ( resid 11 and name HD+ ) 3.5204 1.55415384615385 1.55415384615385 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HD+ ) 3.7325 1.71730769230769 1.71730769230769 
 assign ( resid 49 and name HD2 ) ( resid 12 and name HZ ) 3.7150 1.70384615384615 1.70384615384615 
 assign ( resid 49 and name HD1 ) ( resid 12 and name HZ ) 3.3337 1.41053846153846 1.41053846153846 
 assign ( resid 23 and name HB2 ) ( resid 56 and name HZ3 ) 3.5443 1.57253846153846 1.57253846153846 
 assign ( resid 40 and name HA ) ( resid 12 and name HD+ ) 3.9690 1.89923076923077 1.89923076923077 
 assign ( resid 49 and name HA ) ( resid 12 and name HD+ ) 3.8521 1.80930769230769 1.80930769230769 
 assign ( resid 46 and name HA ) ( resid 48 and name HN ) 3.5158 1.55061538461538 1.55061538461538 
 assign ( resid 28 and name HB2 ) ( resid 27 and name HD1 ) 3.7045 1.69576923076923 1.69576923076923 
 assign ( resid 28 and name HB1 ) ( resid 27 and name HD1 ) 3.1174 1.24415384615385 1.24415384615385 
 assign ( resid 34 and name HD+ ) ( resid 27 and name HH2 ) 2.9504 1.11569230769231 1.11569230769231 
 assign ( resid 34 and name HD+ ) ( resid 27 and name HZ2 ) 4.0141 1.93392307692308 1.93392307692308 
 assign ( resid 31 and name HB2 ) ( resid 27 and name HH2 ) 3.4221 1.47853846153846 1.47853846153846 
 assign ( resid 31 and name HB1 ) ( resid 27 and name HH2 ) 3.1921 1.30161538461538 1.30161538461538 
 assign ( resid 31 and name HA ) ( resid 40 and name HD+ ) 3.6125 1.625 1.625 
 assign ( resid 31 and name HA ) ( resid 27 and name HH2 ) 3.5124 1.548 1.548 
 assign ( resid 46 and name HA ) ( resid 27 and name HZ2 ) 3.5597 1.58438461538462 1.58438461538462 
 assign ( resid 46 and name HA ) ( resid 50 and name HN ) 3.4402 1.49246153846154 1.49246153846154 
 assign ( resid 20 and name HB1 ) ( resid 21 and name HN ) 3.7578 1.73676923076923 1.73676923076923 
 assign ( resid 20 and name HB2 ) ( resid 21 and name HN ) 3.1540 1.27230769230769 1.27230769230769 
 assign ( resid 20 and name HN ) ( resid 18 and name HN ) 3.4851 1.527 1.527 
 assign ( resid 36 and name HA ) ( resid 41 and name HD+ ) 3.6260 1.63538461538462 1.63538461538462 
 assign ( resid 52 and name HB2 ) ( resid 13 and name HD+ ) 3.6946 1.68815384615385 1.68815384615385 
 assign ( resid 49 and name HG1 ) ( resid 43 and name HD+ ) 2.3115 0.624230769230769 0.624230769230769 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HD+ ) 4.2026 2.07892307692308 2.07892307692308 
 assign ( resid 52 and name HB2 ) ( resid 16 and name HZ ) 2.7773 0.982538461538461 0.982538461538461 
 assign ( resid 53 and name HA ) ( resid 16 and name HZ ) 3.6406 1.64661538461538 1.64661538461538 
 assign ( resid 53 and name HA ) ( resid 27 and name HZ3 ) 3.2806 1.36969230769231 1.36969230769231 
 assign ( resid 40 and name HA ) ( resid 12 and name HD+ ) 3.0247 1.17284615384615 1.17284615384615 
 assign ( resid 28 and name HA ) ( resid 29 and name HN ) 3.2550 1.35 1.35 
 assign ( resid 49 and name HA ) ( resid 12 and name HD+ ) 3.9959 1.91992307692308 1.91992307692308 
 assign ( resid 49 and name HD2 ) ( resid 12 and name HD+ ) 3.8811 1.83161538461538 1.83161538461538 
 assign ( resid 49 and name HD1 ) ( resid 12 and name HD+ ) 3.2600 1.35384615384615 1.35384615384615 
 assign ( resid 49 and name HB2 ) ( resid 12 and name HD+ ) 3.7072 1.69784615384615 1.69784615384615 
 assign ( resid 49 and name HB2 ) ( resid 12 and name HD+ ) 3.4467 1.49746153846154 1.49746153846154 
 assign ( resid 49 and name HG2 ) ( resid 12 and name HD+ ) 4.3006 2.15430769230769 2.15430769230769 
 assign ( resid 49 and name HG2 ) ( resid 12 and name HD+ ) 3.7369 1.72069230769231 1.72069230769231 
 assign ( resid 49 and name HB1 ) ( resid 12 and name HD+ ) 3.6991 1.69161538461538 1.69161538461538 
 assign ( resid 49 and name HB1 ) ( resid 12 and name HD+ ) 4.0078 1.92907692307692 1.92907692307692 
 assign ( resid 49 and name HG1 ) ( resid 12 and name HD+ ) 3.8323 1.79407692307692 1.79407692307692 
 assign ( resid 49 and name HG1 ) ( resid 12 and name HD+ ) 4.5334 2.33338461538462 2.33338461538462 
 assign ( resid 49 and name HB2 ) ( resid 43 and name HD+ ) 3.4682 1.514 1.514 
 assign ( resid 49 and name HG2 ) ( resid 27 and name HZ2 ) 3.7583 1.73715384615385 1.73715384615385 
 assign ( resid 40 and name HB1 ) ( resid 41 and name HN ) 3.0288 1.176 1.176 
 assign ( resid 40 and name HB2 ) ( resid 41 and name HN ) 3.0307 1.17746153846154 1.17746153846154 
 assign ( resid 28 and name HB2 ) ( resid 33 and name HN ) 3.5613 1.58561538461538 1.58561538461538 
 assign ( resid 28 and name HB1 ) ( resid 33 and name HN ) 3.7243 1.711 1.711 
 assign ( resid 28 and name HB2 ) ( resid 32 and name HN ) 3.4172 1.47476923076923 1.47476923076923 
 assign ( resid 28 and name HB1 ) ( resid 32 and name HN ) 2.6645 0.895769230769231 0.895769230769231 
 assign ( resid 33 and name HA ) ( resid 35 and name HN ) 3.6320 1.64 1.64 
 assign ( resid 40 and name HD+ ) ( resid 41 and name HN ) 3.3790 1.44538461538462 1.44538461538462 
 assign ( resid 36 and name HA ) ( resid 37 and name HN ) 3.0976 1.22892307692308 1.22892307692308 
 assign ( resid 48 and name HA ) ( resid 52 and name HN ) 3.7365 1.72038461538462 1.72038461538462 
 assign ( resid 52 and name HA ) ( resid 16 and name HD+ ) 3.9461 1.88161538461538 1.88161538461538 
 assign ( resid 8 and name HG2 ) ( resid 12 and name HD+ ) 3.7899 1.76146153846154 1.76146153846154 
 assign ( resid 42 and name HG2 ) ( resid 12 and name HD+ ) 4.6153 2.39638461538462 2.39638461538462 
 assign ( resid 42 and name HB1 ) ( resid 12 and name HD+ ) 2.9610 1.12384615384615 1.12384615384615 
 assign ( resid 42 and name HG2 ) ( resid 12 and name HD+ ) 4.6153 2.39638461538462 2.39638461538462 
 assign ( resid 30 and name HG1 ) ( resid 23 and name HZ1 ) 2.7393 0.953307692307692 0.953307692307692 
 assign ( resid 30 and name HG2 ) ( resid 23 and name HZ1 ) 3.1496 1.26892307692308 1.26892307692308 
 assign ( resid 21 and name HG ) ( resid 23 and name HZ1 ) 4.0307 1.94669230769231 1.94669230769231 
 assign ( resid 21 and name HD+ ) ( resid 16 and name HD+ ) 4.0378 1.95215384615385 1.95215384615385 
 assign ( resid 34 and name HD+ ) ( resid 33 and name HN ) 3.8837 1.83361538461538 1.83361538461538 
 assign ( resid 34 and name HG11 ) ( resid 33 and name HN ) 3.3325 1.40961538461538 1.40961538461538 
 assign ( resid 16 and name HD+ ) ( resid 13 and name HD+ ) 3.6338 1.64138461538462 1.64138461538462 
 assign ( resid 40 and name HD+ ) ( resid 12 and name HZ ) 3.5180 1.55230769230769 1.55230769230769 
 assign ( resid 40 and name HD+ ) ( resid 12 and name HD+ ) 4.2176 2.09046153846154 2.09046153846154 
 assign ( resid 40 and name HD+ ) ( resid 12 and name HD+ ) 4.1911 2.07007692307692 2.07007692307692 
 assign ( resid 27 and name HA ) ( resid 31 and name HN ) 3.4340 1.48769230769231 1.48769230769231 
 assign ( resid 28 and name HB1 ) ( resid 26 and name HD+ ) 3.7992 1.76861538461538 1.76861538461538 
 assign ( resid 27 and name HA ) ( resid 26 and name HD+ ) 3.9493 1.88407692307692 1.88407692307692 
 assign ( resid 28 and name HB2 ) ( resid 30 and name HN ) 3.1179 1.24453846153846 1.24453846153846 
 assign ( resid 28 and name HA ) ( resid 30 and name HN ) 4.2993 2.15330769230769 2.15330769230769 
 assign ( resid 27 and name HA ) ( resid 29 and name HN ) 3.9658 1.89676923076923 1.89676923076923 
 assign ( resid 49 and name HA ) ( resid 27 and name HH2 ) 3.5441 1.57238461538462 1.57238461538462 
 assign ( resid 48 and name HD+ ) ( resid 43 and name HD+ ) 2.6012 0.847076923076923 0.847076923076923 
 assign ( resid 48 and name HA ) ( resid 43 and name HD+ ) 3.8903 1.83869230769231 1.83869230769231 
 assign ( resid 48 and name HA ) ( resid 43 and name HD+ ) 3.9692 1.89938461538462 1.89938461538462 
 assign ( resid 28 and name HA ) ( resid 31 and name HN ) 3.6040 1.61846153846154 1.61846153846154 
 assign ( resid 49 and name HD2 ) ( resid 40 and name HD+ ) 3.9650 1.89615384615385 1.89615384615385 
 assign ( resid 49 and name HD1 ) ( resid 40 and name HD+ ) 3.7701 1.74623076923077 1.74623076923077 
 assign ( resid 49 and name HD2 ) ( resid 40 and name HZ ) 3.4060 1.46615384615385 1.46615384615385 
 assign ( resid 49 and name HD1 ) ( resid 40 and name HZ ) 3.2096 1.31507692307692 1.31507692307692 
 assign ( resid 49 and name HD1 ) ( resid 40 and name HD+ ) 3.4993 1.53792307692308 1.53792307692308 
 assign ( resid 49 and name HD2 ) ( resid 40 and name HD+ ) 3.8778 1.82907692307692 1.82907692307692 
 assign ( resid 33 and name HB2 ) ( resid 34 and name HN ) 3.3693 1.43792307692308 1.43792307692308 
 assign ( resid 33 and name HB1 ) ( resid 34 and name HN ) 3.2588 1.35292307692308 1.35292307692308 
 assign ( resid 33 and name HG2 ) ( resid 34 and name HN ) 3.7615 1.73961538461538 1.73961538461538 
 assign ( resid 37 and name HN ) ( resid 39 and name HN ) 3.7054 1.69646153846154 1.69646153846154 
 assign ( resid 28 and name HB1 ) ( resid 31 and name HA ) 3.7168 1.70523076923077 1.70523076923077 
 assign ( resid 26 and name HB ) ( resid 28 and name HB1 ) 3.6953 1.68869230769231 1.68869230769231 
 assign ( resid 26 and name HB ) ( resid 27 and name HA ) 3.8064 1.77415384615385 1.77415384615385 
 assign ( resid 52 and name HD+ ) ( resid 16 and name HD+ ) 4.2303 2.10023076923077 2.10023076923077 
 assign ( resid 48 and name HD+ ) ( resid 52 and name HN ) 3.5532 1.57938461538462 1.57938461538462 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HD+ ) 4.0287 1.94515384615385 1.94515384615385 
 assign ( resid 16 and name HZ ) ( resid 52 and name HN ) 3.7215 1.70884615384615 1.70884615384615 
 assign ( resid 15 and name HA ) ( resid 17 and name HN ) 3.4702 1.51553846153846 1.51553846153846 
 assign ( resid 30 and name HA ) ( resid 31 and name HN ) 3.5975 1.61346153846154 1.61346153846154 
 assign ( resid 34 and name HB ) ( resid 15 and name HD+ ) 3.0030 1.15615384615385 1.15615384615385 
 assign ( resid 30 and name HB1 ) ( resid 23 and name HZ1 ) 3.4593 1.50715384615385 1.50715384615385 
 assign ( resid 30 and name HB2 ) ( resid 23 and name HZ1 ) 3.5586 1.58353846153846 1.58353846153846 
 assign ( resid 6 and name HN ) ( resid 8 and name HN ) 3.7877 1.75976923076923 1.75976923076923 
 assign ( resid 10 and name HB2 ) ( resid 11 and name HN ) 2.7477 0.959769230769231 0.959769230769231 
 assign ( resid 21 and name HD+ ) ( resid 23 and name HZ1 ) 3.8190 1.78384615384615 1.78384615384615 
 assign ( resid 21 and name HD+ ) ( resid 56 and name HZ3 ) 3.3728 1.44061538461538 1.44061538461538 
 assign ( resid 21 and name HA ) ( resid 22 and name HB2 ) 3.2279 1.32915384615385 1.32915384615385 
 assign ( resid 25 and name HB2 ) ( resid 22 and name HB2 ) 2.6115 0.855 0.855 
 assign ( resid 25 and name HB1 ) ( resid 22 and name HB2 ) 2.5535 0.810384615384615 0.810384615384615 
 assign ( resid 22 and name HB2 ) ( resid 25 and name HN ) 3.1668 1.28215384615385 1.28215384615385 
 assign ( resid 23 and name HG2 ) ( resid 56 and name HH2 ) 3.7446 1.72661538461538 1.72661538461538 
 assign ( resid 23 and name HG1 ) ( resid 56 and name HH2 ) 3.7456 1.72738461538462 1.72738461538462 
 assign ( resid 30 and name HE22 ) ( resid 26 and name HN ) 3.5544 1.58030769230769 1.58030769230769 
 assign ( resid 59 and name HB2 ) ( resid 57 and name HN ) 2.6574 0.890307692307692 0.890307692307692 
 assign ( resid 21 and name HG ) ( resid 19 and name HN ) 3.7256 1.712 1.712 
 assign ( resid 38 and name HA ) ( resid 41 and name HA ) 6.0000 3.46153846153846 3.46153846153846 
 assign ( resid 38 and name HA ) ( resid 41 and name HB2 ) 6.0000 3.46153846153846 3.46153846153846 
 assign ( resid 41 and name HB1 ) ( resid 42 and name HN ) 6.0000 3.46153846153846 3.46153846153846 
 !From xeasy noes, file 2D-noesy-D2O-vers4-integr 
assign ( resid 16 and name HN ) ( resid 17 and name HN ) 3.0203 1.16946153846154 1.16946153846154 
 assign ( resid 17 and name HN ) ( resid 16 and name HN ) 3.8179 1.783 1.783 
 assign ( resid 16 and name HN ) ( resid 15 and name HA ) 3.0642 1.20323076923077 1.20323076923077 
 assign ( resid 15 and name HD+ ) ( resid 34 and name HD+ ) 3.4558 1.50446153846154 1.50446153846154 
 assign ( resid 27 and name HE3 ) ( resid 53 and name HB1 ) 2.9314 1.10107692307692 1.10107692307692 
 assign ( resid 27 and name HE3 ) ( resid 53 and name HB2 ) 3.1567 1.27438461538462 1.27438461538462 
 assign ( resid 16 and name HZ ) ( resid 53 and name HB1 ) 2.9942 1.14938461538462 1.14938461538462 
 assign ( resid 16 and name HZ ) ( resid 53 and name HB2 ) 3.0868 1.22061538461538 1.22061538461538 
 assign ( resid 16 and name HZ ) ( resid 53 and name HA ) 3.1782 1.29092307692308 1.29092307692308 
 assign ( resid 16 and name HN ) ( resid 15 and name HN ) 2.5533 0.810230769230769 0.810230769230769 
 assign ( resid 14 and name HN ) ( resid 15 and name HN ) 2.6282 0.867846153846154 0.867846153846154 
 assign ( resid 18 and name HN ) ( resid 17 and name HN ) 2.8357 1.02746153846154 1.02746153846154 
 assign ( resid 18 and name HN ) ( resid 19 and name HN ) 2.7551 0.965461538461538 0.965461538461538 
 assign ( resid 53 and name HN ) ( resid 52 and name HN ) 2.4481 0.729307692307692 0.729307692307692 
 assign ( resid 54 and name HN ) ( resid 53 and name HN ) 2.8308 1.02369230769231 1.02369230769231 
 assign ( resid 54 and name HN ) ( resid 55 and name HN ) 2.5441 0.803153846153846 0.803153846153846 
 assign ( resid 56 and name HN ) ( resid 55 and name HN ) 2.5360 0.796923076923077 0.796923076923077 
 assign ( resid 13 and name HN ) ( resid 14 and name HN ) 2.7445 0.957307692307692 0.957307692307692 
 assign ( resid 28 and name HN ) ( resid 29 and name HN ) 3.1430 1.26384615384615 1.26384615384615 
 assign ( resid 52 and name HN ) ( resid 48 and name HA ) 3.5118 1.54753846153846 1.54753846153846 
 assign ( resid 52 and name HN ) ( resid 51 and name HA ) 3.2812 1.37015384615385 1.37015384615385 
 assign ( resid 17 and name HB1 ) ( resid 14 and name HA ) 3.5271 1.55930769230769 1.55930769230769 
 assign ( resid 17 and name HB2 ) ( resid 14 and name HA ) 2.8464 1.03569230769231 1.03569230769231 
 assign ( resid 17 and name HN ) ( resid 16 and name HD+ ) 3.7733 1.74869230769231 1.74869230769231 
 assign ( resid 43 and name HD+ ) ( resid 49 and name HA ) 3.8347 1.79592307692308 1.79592307692308 
 assign ( resid 43 and name HD+ ) ( resid 8 and name HB2 ) 3.3056 1.38892307692308 1.38892307692308 
 assign ( resid 43 and name HD+ ) ( resid 52 and name HD+ ) 3.7984 1.768 1.768 
 assign ( resid 43 and name HD+ ) ( resid 52 and name HD+ ) 3.0001 1.15392307692308 1.15392307692308 
 assign ( resid 43 and name HD+ ) ( resid 8 and name HA ) 3.9064 1.85107692307692 1.85107692307692 
 assign ( resid 43 and name HD+ ) ( resid 49 and name HA ) 3.7785 1.75269230769231 1.75269230769231 
 assign ( resid 23 and name HG1 ) ( resid 57 and name HA ) 2.9768 1.136 1.136 
 assign ( resid 43 and name HD+ ) ( resid 48 and name HB ) 2.7213 0.939461538461539 0.939461538461539 
 assign ( resid 43 and name HD+ ) ( resid 48 and name HD+ ) 3.0362 1.18169230769231 1.18169230769231 
 assign ( resid 43 and name HD+ ) ( resid 48 and name HD+ ) 2.5896 0.838153846153846 0.838153846153846 
 assign ( resid 43 and name HD+ ) ( resid 48 and name HA ) 3.9221 1.86315384615385 1.86315384615385 
 assign ( resid 48 and name HD+ ) ( resid 45 and name HB2 ) 3.0526 1.19430769230769 1.19430769230769 
 assign ( resid 48 and name HD+ ) ( resid 45 and name HB1 ) 3.3328 1.40984615384615 1.40984615384615 
 assign ( resid 43 and name HD+ ) ( resid 45 and name HB2 ) 3.6364 1.64338461538462 1.64338461538462 
 assign ( resid 43 and name HD+ ) ( resid 45 and name HB1 ) 3.8729 1.82530769230769 1.82530769230769 
 assign ( resid 43 and name HG11 ) ( resid 8 and name HG2 ) 3.4434 1.49492307692308 1.49492307692308 
 assign ( resid 43 and name HG12 ) ( resid 8 and name HG2 ) 3.6475 1.65192307692308 1.65192307692308 
 assign ( resid 41 and name HD+ ) ( resid 36 and name HA ) 3.9068 1.85138461538462 1.85138461538462 
 assign ( resid 41 and name HD+ ) ( resid 38 and name HA ) 3.0030 1.15615384615385 1.15615384615385 
 assign ( resid 41 and name HD+ ) ( resid 38 and name HA ) 3.8777 1.829 1.829 
 assign ( resid 19 and name HN ) ( resid 17 and name HA ) 2.8821 1.06315384615385 1.06315384615385 
 assign ( resid 17 and name HN ) ( resid 14 and name HA ) 3.2051 1.31161538461538 1.31161538461538 
 assign ( resid 17 and name HN ) ( resid 16 and name HA ) 3.9777 1.90592307692308 1.90592307692308 
 assign ( resid 53 and name HN ) ( resid 52 and name HA ) 3.3191 1.39930769230769 1.39930769230769 
 assign ( resid 19 and name HN ) ( resid 18 and name HA ) 3.1671 1.28238461538462 1.28238461538462 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HA ) 3.4631 1.51007692307692 1.51007692307692 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HA ) 3.6195 1.63038461538462 1.63038461538462 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HB1 ) 3.5238 1.55676923076923 1.55676923076923 
 assign ( resid 13 and name HZ ) ( resid 56 and name HB2 ) 3.5105 1.54653846153846 1.54653846153846 
 assign ( resid 56 and name HN ) ( resid 55 and name HA ) 3.1523 1.271 1.271 
 assign ( resid 13 and name HD+ ) ( resid 55 and name HB2 ) 3.3236 1.40276923076923 1.40276923076923 
 assign ( resid 14 and name HN ) ( resid 13 and name HA ) 3.5394 1.56876923076923 1.56876923076923 
 assign ( resid 14 and name HN ) ( resid 13 and name HB2 ) 3.2858 1.37369230769231 1.37369230769231 
 assign ( resid 14 and name HN ) ( resid 13 and name HB1 ) 3.2277 1.329 1.329 
 assign ( resid 56 and name HZ3 ) ( resid 23 and name HA ) 3.0812 1.21630769230769 1.21630769230769 
 assign ( resid 56 and name HZ3 ) ( resid 13 and name HA ) 2.5335 0.795 0.795 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HB2 ) 3.6410 1.64692307692308 1.64692307692308 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HB1 ) 3.4976 1.53661538461538 1.53661538461538 
 assign ( resid 27 and name HZ3 ) ( resid 53 and name HB2 ) 3.4978 1.53676923076923 1.53676923076923 
 assign ( resid 27 and name HZ3 ) ( resid 53 and name HB1 ) 3.0646 1.20353846153846 1.20353846153846 
 assign ( resid 27 and name HZ3 ) ( resid 53 and name HA ) 3.4950 1.53461538461538 1.53461538461538 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HB2 ) 3.4424 1.49415384615385 1.49415384615385 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HB1 ) 3.3232 1.40246153846154 1.40246153846154 
 assign ( resid 12 and name HZ ) ( resid 40 and name HA ) 2.6400 0.876923076923077 0.876923076923077 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HA ) 3.5982 1.614 1.614 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HD2 ) 2.9870 1.14384615384615 1.14384615384615 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HD1 ) 3.1518 1.27061538461538 1.27061538461538 
 assign ( resid 12 and name HD+ ) ( resid 49 and name HA ) 3.8536 1.81046153846154 1.81046153846154 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HB2 ) 2.9122 1.08630769230769 1.08630769230769 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HB1 ) 2.9846 1.142 1.142 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HG2 ) 3.6633 1.66407692307692 1.66407692307692 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HG1 ) 3.5461 1.57392307692308 1.57392307692308 
 assign ( resid 52 and name HN ) ( resid 49 and name HA ) 3.5277 1.55976923076923 1.55976923076923 
 assign ( resid 27 and name HZ2 ) ( resid 34 and name HD+ ) 3.8191 1.78392307692308 1.78392307692308 
 assign ( resid 43 and name HN ) ( resid 42 and name HA ) 3.7329 1.71761538461538 1.71761538461538 
 assign ( resid 43 and name HN ) ( resid 42 and name HB2 ) 3.6886 1.68353846153846 1.68353846153846 
 assign ( resid 43 and name HN ) ( resid 42 and name HB1 ) 3.6424 1.648 1.648 
 assign ( resid 12 and name HZ ) ( resid 43 and name HD+ ) 3.8090 1.77615384615385 1.77615384615385 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HD+ ) 3.6202 1.63092307692308 1.63092307692308 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HD+ ) 3.7184 1.70646153846154 1.70646153846154 
 assign ( resid 12 and name HZ ) ( resid 43 and name HD+ ) 3.8021 1.77084615384615 1.77084615384615 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HD+ ) 4.0438 1.95676923076923 1.95676923076923 
 assign ( resid 12 and name HZ ) ( resid 43 and name HG11 ) 3.1671 1.28238461538462 1.28238461538462 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HG11 ) 3.2272 1.32861538461538 1.32861538461538 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HG12 ) 3.4633 1.51023076923077 1.51023076923077 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HB ) 3.7640 1.74153846153846 1.74153846153846 
 assign ( resid 12 and name HZ ) ( resid 43 and name HG12 ) 4.0347 1.94976923076923 1.94976923076923 
 assign ( resid 12 and name HZ ) ( resid 43 and name HB ) 3.0535 1.195 1.195 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HG12 ) 3.7737 1.749 1.749 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HG11 ) 3.4613 1.50869230769231 1.50869230769231 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HB2 ) 3.9361 1.87392307692308 1.87392307692308 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HB1 ) 4.5878 2.37523076923077 2.37523076923077 
 assign ( resid 15 and name HB2 ) ( resid 12 and name HA ) 2.5615 0.816538461538462 0.816538461538462 
 assign ( resid 15 and name HB1 ) ( resid 12 and name HA ) 2.9213 1.09330769230769 1.09330769230769 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HG12 ) 3.6811 1.67776923076923 1.67776923076923 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HD+ ) 3.3176 1.39815384615385 1.39815384615385 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HG11 ) 3.4675 1.51346153846154 1.51346153846154 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HD+ ) 4.2632 2.12553846153846 2.12553846153846 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HG12 ) 3.0794 1.21492307692308 1.21492307692308 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HB ) 3.4767 1.52053846153846 1.52053846153846 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HD+ ) 3.0854 1.21953846153846 1.21953846153846 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HG11 ) 3.7854 1.758 1.758 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HD+ ) 4.0477 1.95976923076923 1.95976923076923 
 assign ( resid 40 and name HZ ) ( resid 34 and name HG12 ) 3.2653 1.35792307692308 1.35792307692308 
 assign ( resid 40 and name HZ ) ( resid 34 and name HD+ ) 3.6648 1.66523076923077 1.66523076923077 
 assign ( resid 19 and name HN ) ( resid 34 and name HD+ ) 3.8282 1.79092307692308 1.79092307692308 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HD+ ) 3.2228 1.32523076923077 1.32523076923077 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HD+ ) 3.6837 1.67976923076923 1.67976923076923 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HB ) 3.8964 1.84338461538462 1.84338461538462 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HB ) 3.4473 1.49792307692308 1.49792307692308 
 assign ( resid 19 and name HD+ ) ( resid 37 and name HB1 ) 3.5198 1.55369230769231 1.55369230769231 
 assign ( resid 19 and name HD+ ) ( resid 37 and name HB2 ) 3.8160 1.78153846153846 1.78153846153846 
 assign ( resid 15 and name HD+ ) ( resid 37 and name HB2 ) 3.4351 1.48853846153846 1.48853846153846 
 assign ( resid 15 and name HD+ ) ( resid 37 and name HB2 ) 4.0240 1.94153846153846 1.94153846153846 
 assign ( resid 15 and name HD+ ) ( resid 37 and name HB1 ) 3.7510 1.73153846153846 1.73153846153846 
 assign ( resid 18 and name HN ) ( resid 17 and name HB2 ) 3.0529 1.19453846153846 1.19453846153846 
 assign ( resid 18 and name HN ) ( resid 17 and name HB1 ) 3.2221 1.32469230769231 1.32469230769231 
 assign ( resid 23 and name HB2 ) ( resid 57 and name HA ) 2.8909 1.06992307692308 1.06992307692308 
 assign ( resid 23 and name HB1 ) ( resid 57 and name HA ) 3.2155 1.31961538461538 1.31961538461538 
 assign ( resid 23 and name HG2 ) ( resid 57 and name HA ) 3.5030 1.54076923076923 1.54076923076923 
 assign ( resid 23 and name HD2 ) ( resid 57 and name HA ) 3.5388 1.56830769230769 1.56830769230769 
 assign ( resid 19 and name HD+ ) ( resid 21 and name HD+ ) 4.7232 2.47938461538462 2.47938461538462 
 assign ( resid 19 and name HD+ ) ( resid 21 and name HD+ ) 4.6386 2.41430769230769 2.41430769230769 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HB1 ) 3.3668 1.436 1.436 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HB1 ) 3.3202 1.40015384615385 1.40015384615385 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HB2 ) 3.0566 1.19738461538462 1.19738461538462 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HG ) 3.2744 1.36492307692308 1.36492307692308 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HB2 ) 3.0220 1.17076923076923 1.17076923076923 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HG ) 3.6027 1.61746153846154 1.61746153846154 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HD+ ) 2.3238 0.633692307692308 0.633692307692308 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HD+ ) 2.5283 0.791 0.791 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HD+ ) 2.9024 1.07876923076923 1.07876923076923 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HD+ ) 3.6177 1.629 1.629 
 assign ( resid 56 and name HE3 ) ( resid 21 and name HD+ ) 3.9258 1.866 1.866 
 assign ( resid 56 and name HE3 ) ( resid 21 and name HD+ ) 3.8861 1.83546153846154 1.83546153846154 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HA ) 3.8365 1.79730769230769 1.79730769230769 
 assign ( resid 56 and name HE3 ) ( resid 53 and name HA ) 3.4695 1.515 1.515 
 assign ( resid 54 and name HN ) ( resid 53 and name HB2 ) 3.1518 1.27061538461538 1.27061538461538 
 assign ( resid 54 and name HN ) ( resid 53 and name HB1 ) 3.3190 1.39923076923077 1.39923076923077 
 assign ( resid 53 and name HN ) ( resid 52 and name HB2 ) 2.9564 1.12030769230769 1.12030769230769 
 assign ( resid 53 and name HN ) ( resid 52 and name HG ) 3.5656 1.58892307692308 1.58892307692308 
 assign ( resid 53 and name HN ) ( resid 52 and name HB1 ) 3.2655 1.35807692307692 1.35807692307692 
 assign ( resid 53 and name HN ) ( resid 52 and name HD+ ) 3.9974 1.92107692307692 1.92107692307692 
 assign ( resid 53 and name HN ) ( resid 52 and name HD+ ) 3.7624 1.74030769230769 1.74030769230769 
 assign ( resid 13 and name HN ) ( resid 12 and name HB2 ) 3.2789 1.36838461538462 1.36838461538462 
 assign ( resid 13 and name HN ) ( resid 12 and name HB1 ) 3.4646 1.51123076923077 1.51123076923077 
 assign ( resid 13 and name HN ) ( resid 10 and name HA ) 3.1997 1.30746153846154 1.30746153846154 
 assign ( resid 13 and name HN ) ( resid 12 and name HN ) 3.3592 1.43015384615385 1.43015384615385 
 assign ( resid 18 and name HN ) ( resid 19 and name HD+ ) 3.8627 1.81746153846154 1.81746153846154 
 assign ( resid 56 and name HN ) ( resid 13 and name HD+ ) 3.5228 1.556 1.556 
 assign ( resid 56 and name HN ) ( resid 54 and name HN ) 3.5859 1.60453846153846 1.60453846153846 
 assign ( resid 17 and name HN ) ( resid 19 and name HN ) 3.4346 1.48815384615385 1.48815384615385 
 assign ( resid 17 and name HN ) ( resid 15 and name HN ) 3.6253 1.63484615384615 1.63484615384615 
 assign ( resid 52 and name HN ) ( resid 53 and name HD+ ) 3.9731 1.90238461538462 1.90238461538462 
 assign ( resid 14 and name HN ) ( resid 13 and name HD+ ) 3.8954 1.84261538461538 1.84261538461538 
 assign ( resid 27 and name HZ2 ) ( resid 40 and name HD+ ) 3.2139 1.31838461538462 1.31838461538462 
 assign ( resid 27 and name HZ2 ) ( resid 40 and name HZ ) 3.0243 1.17253846153846 1.17253846153846 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HD1 ) 3.7579 1.73684615384615 1.73684615384615 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HZ3 ) 3.9929 1.91761538461538 1.91761538461538 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HZ3 ) 3.2426 1.34046153846154 1.34046153846154 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HD1 ) 3.2572 1.35169230769231 1.35169230769231 
 assign ( resid 56 and name HN ) ( resid 55 and name HB2 ) 2.4948 0.765230769230769 0.765230769230769 
 assign ( resid 56 and name HN ) ( resid 55 and name HG1 ) 3.5878 1.606 1.606 
 assign ( resid 56 and name HN ) ( resid 55 and name HG2 ) 3.6821 1.67853846153846 1.67853846153846 
 assign ( resid 30 and name HN ) ( resid 29 and name HB2 ) 3.3112 1.39323076923077 1.39323076923077 
 assign ( resid 30 and name HN ) ( resid 29 and name HB1 ) 3.4203 1.47715384615385 1.47715384615385 
 assign ( resid 13 and name HN ) ( resid 9 and name HA ) 3.6663 1.66638461538462 1.66638461538462 
 assign ( resid 16 and name HN ) ( resid 15 and name HB2 ) 2.9046 1.08046153846154 1.08046153846154 
 assign ( resid 16 and name HN ) ( resid 15 and name HB1 ) 3.1107 1.239 1.239 
 assign ( resid 54 and name HN ) ( resid 51 and name HA ) 3.0630 1.20230769230769 1.20230769230769 
 assign ( resid 16 and name HN ) ( resid 12 and name HA ) 3.3040 1.38769230769231 1.38769230769231 
 assign ( resid 18 and name HN ) ( resid 15 and name HA ) 3.3712 1.43938461538462 1.43938461538462 
 assign ( resid 18 and name HN ) ( resid 14 and name HA ) 4.4626 2.27892307692308 2.27892307692308 
 assign ( resid 56 and name HN ) ( resid 53 and name HA ) 3.3170 1.39769230769231 1.39769230769231 
 assign ( resid 56 and name HN ) ( resid 52 and name HA ) 3.5627 1.58669230769231 1.58669230769231 
 assign ( resid 55 and name HN ) ( resid 54 and name HA ) 3.2740 1.36461538461538 1.36461538461538 
 assign ( resid 30 and name HN ) ( resid 27 and name HA ) 4.2628 2.12523076923077 2.12523076923077 
 assign ( resid 16 and name HN ) ( resid 15 and name HG ) 3.4952 1.53476923076923 1.53476923076923 
 assign ( resid 27 and name HZ2 ) ( resid 31 and name HB2 ) 3.6424 1.648 1.648 
 assign ( resid 27 and name HZ2 ) ( resid 31 and name HA ) 3.7578 1.73676923076923 1.73676923076923 
 assign ( resid 27 and name HZ2 ) ( resid 31 and name HB1 ) 3.5615 1.58576923076923 1.58576923076923 
 assign ( resid 15 and name HN ) ( resid 14 and name HB2 ) 2.7286 0.945076923076923 0.945076923076923 
 assign ( resid 15 and name HN ) ( resid 12 and name HA ) 2.8074 1.00569230769231 1.00569230769231 
 assign ( resid 15 and name HN ) ( resid 14 and name HA ) 3.2173 1.321 1.321 
 assign ( resid 22 and name HN ) ( resid 21 and name HA ) 3.0241 1.17238461538462 1.17238461538462 
 assign ( resid 21 and name HN ) ( resid 20 and name HA ) 2.3476 0.652 0.652 
 assign ( resid 19 and name HN ) ( resid 20 and name HA ) 3.4548 1.50369230769231 1.50369230769231 
 assign ( resid 27 and name HZ2 ) ( resid 46 and name HA ) 3.5135 1.54884615384615 1.54884615384615 
 assign ( resid 14 and name HN ) ( resid 10 and name HA ) 3.6260 1.63538461538462 1.63538461538462 
 assign ( resid 19 and name HD+ ) ( resid 15 and name HA ) 3.4214 1.478 1.478 
 assign ( resid 13 and name HD+ ) ( resid 10 and name HA ) 3.6912 1.68553846153846 1.68553846153846 
 assign ( resid 43 and name HN ) ( resid 41 and name HA ) 3.4744 1.51876923076923 1.51876923076923 
 assign ( resid 14 and name HN ) ( resid 11 and name HA ) 3.4303 1.48484615384615 1.48484615384615 
 assign ( resid 17 and name HN ) ( resid 15 and name HA ) 3.6513 1.65484615384615 1.65484615384615 
 assign ( resid 12 and name HD+ ) ( resid 40 and name HA ) 3.2927 1.379 1.379 
 assign ( resid 27 and name HD1 ) ( resid 28 and name HB1 ) 3.2099 1.31530769230769 1.31530769230769 
 assign ( resid 27 and name HD1 ) ( resid 28 and name HB2 ) 3.4839 1.52607692307692 1.52607692307692 
 assign ( resid 27 and name HD1 ) ( resid 28 and name HA ) 3.1507 1.26976923076923 1.26976923076923 
 assign ( resid 52 and name HN ) ( resid 51 and name HB2 ) 2.8204 1.01569230769231 1.01569230769231 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HA ) 3.4321 1.48623076923077 1.48623076923077 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HB2 ) 3.9867 1.91284615384615 1.91284615384615 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HB1 ) 3.6441 1.64930769230769 1.64930769230769 
 assign ( resid 53 and name HD+ ) ( resid 52 and name HA ) 3.8011 1.77007692307692 1.77007692307692 
 assign ( resid 13 and name HZ ) ( resid 55 and name HB2 ) 2.6671 0.897769230769231 0.897769230769231 
 assign ( resid 27 and name HH2 ) ( resid 50 and name HB2 ) 3.3381 1.41392307692308 1.41392307692308 
 assign ( resid 27 and name HH2 ) ( resid 50 and name HB1 ) 2.9061 1.08161538461538 1.08161538461538 
 assign ( resid 27 and name HH2 ) ( resid 50 and name HG1 ) 2.7812 0.985538461538462 0.985538461538462 
 assign ( resid 27 and name HH2 ) ( resid 50 and name HG2 ) 3.4451 1.49623076923077 1.49623076923077 
 assign ( resid 53 and name HD+ ) ( resid 52 and name HB1 ) 3.6607 1.66207692307692 1.66207692307692 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HD+ ) 3.6482 1.65246153846154 1.65246153846154 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HD+ ) 3.5562 1.58169230769231 1.58169230769231 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HB2 ) 3.1510 1.27 1.27 
 assign ( resid 12 and name HN ) ( resid 11 and name HB ) 3.2874 1.37492307692308 1.37492307692308 
 assign ( resid 12 and name HD+ ) ( resid 11 and name HB ) 3.1455 1.26576923076923 1.26576923076923 
 assign ( resid 12 and name HD+ ) ( resid 11 and name HB ) 2.8950 1.07307692307692 1.07307692307692 
 assign ( resid 12 and name HD+ ) ( resid 11 and name HD+ ) 3.4152 1.47323076923077 1.47323076923077 
 assign ( resid 12 and name HN ) ( resid 11 and name HD+ ) 4.0209 1.93915384615385 1.93915384615385 
 assign ( resid 12 and name HD+ ) ( resid 11 and name HD+ ) 3.8767 1.82823076923077 1.82823076923077 
 assign ( resid 55 and name HN ) ( resid 54 and name HB1 ) 3.0967 1.22823076923077 1.22823076923077 
 assign ( resid 40 and name HD+ ) ( resid 15 and name HD+ ) 3.4383 1.491 1.491 
 assign ( resid 40 and name HD+ ) ( resid 15 and name HD+ ) 4.0720 1.97846153846154 1.97846153846154 
 assign ( resid 19 and name HD+ ) ( resid 15 and name HD+ ) 3.8072 1.77476923076923 1.77476923076923 
 assign ( resid 19 and name HD+ ) ( resid 15 and name HD+ ) 2.7294 0.945692307692308 0.945692307692308 
 assign ( resid 16 and name HD+ ) ( resid 34 and name HD+ ) 3.0976 1.22892307692308 1.22892307692308 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HD+ ) 4.0525 1.96346153846154 1.96346153846154 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HD+ ) 3.4008 1.46215384615385 1.46215384615385 
 assign ( resid 17 and name HN ) ( resid 16 and name HB1 ) 3.3287 1.40669230769231 1.40669230769231 
 assign ( resid 56 and name HZ2 ) ( resid 16 and name HB1 ) 3.6163 1.62792307692308 1.62792307692308 
 assign ( resid 17 and name HN ) ( resid 16 and name HB2 ) 3.0671 1.20546153846154 1.20546153846154 
 assign ( resid 56 and name HZ2 ) ( resid 16 and name HB2 ) 3.4985 1.53730769230769 1.53730769230769 
 assign ( resid 56 and name HZ2 ) ( resid 17 and name HB2 ) 3.6932 1.68707692307692 1.68707692307692 
 assign ( resid 56 and name HZ2 ) ( resid 17 and name HB1 ) 3.7301 1.71546153846154 1.71546153846154 
 assign ( resid 56 and name HD1 ) ( resid 13 and name HB1 ) 3.2855 1.37346153846154 1.37346153846154 
 assign ( resid 56 and name HD1 ) ( resid 13 and name HB2 ) 3.1116 1.23969230769231 1.23969230769231 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HA ) 4.0671 1.97469230769231 1.97469230769231 
 assign ( resid 16 and name HD+ ) ( resid 12 and name HA ) 3.9008 1.84676923076923 1.84676923076923 
 assign ( resid 56 and name HE3 ) ( resid 57 and name HA ) 3.2655 1.35807692307692 1.35807692307692 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HB1 ) 3.4248 1.48061538461538 1.48061538461538 
 assign ( resid 16 and name HZ ) ( resid 52 and name HB1 ) 3.2927 1.379 1.379 
 assign ( resid 16 and name HZ ) ( resid 52 and name HB2 ) 3.1679 1.283 1.283 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HB2 ) 3.6132 1.62553846153846 1.62553846153846 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HB1 ) 3.8738 1.826 1.826 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HD+ ) 3.8461 1.80469230769231 1.80469230769231 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HD+ ) 4.0741 1.98007692307692 1.98007692307692 
 assign ( resid 16 and name HZ ) ( resid 52 and name HD+ ) 4.0302 1.94630769230769 1.94630769230769 
 assign ( resid 16 and name HZ ) ( resid 52 and name HD+ ) 3.5418 1.57061538461538 1.57061538461538 
 assign ( resid 12 and name HD+ ) ( resid 15 and name HD+ ) 4.2136 2.08738461538461 2.08738461538461 
 assign ( resid 12 and name HD+ ) ( resid 52 and name HD+ ) 3.6176 1.62892307692308 1.62892307692308 
 assign ( resid 19 and name HD+ ) ( resid 15 and name HD+ ) 3.0877 1.22130769230769 1.22130769230769 
 assign ( resid 19 and name HD+ ) ( resid 15 and name HD+ ) 4.0307 1.94669230769231 1.94669230769231 
 assign ( resid 16 and name HD+ ) ( resid 34 and name HD+ ) 3.2213 1.32407692307692 1.32407692307692 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HB1 ) 3.9299 1.86915384615385 1.86915384615385 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HB1 ) 3.9455 1.88115384615385 1.88115384615385 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HB2 ) 4.0022 1.92476923076923 1.92476923076923 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HB2 ) 3.8088 1.776 1.776 
 assign ( resid 55 and name HN ) ( resid 54 and name HG1 ) 2.5883 0.837153846153846 0.837153846153846 
 assign ( resid 53 and name HN ) ( resid 54 and name HG1 ) 2.9564 1.12030769230769 1.12030769230769 
 assign ( resid 53 and name HN ) ( resid 54 and name HG2 ) 4.3003 2.15407692307692 2.15407692307692 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HD+ ) 3.9249 1.86530769230769 1.86530769230769 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HD+ ) 3.7565 1.73576923076923 1.73576923076923 
 assign ( resid 16 and name HD+ ) ( resid 34 and name HD+ ) 3.7838 1.75676923076923 1.75676923076923 
 assign ( resid 40 and name HD+ ) ( resid 15 and name HD+ ) 4.1015 2.00115384615385 2.00115384615385 
 assign ( resid 40 and name HD+ ) ( resid 15 and name HD+ ) 4.3332 2.17938461538462 2.17938461538462 
 assign ( resid 40 and name HD+ ) ( resid 31 and name HB2 ) 3.5509 1.57761538461538 1.57761538461538 
 assign ( resid 12 and name HD+ ) ( resid 52 and name HD+ ) 4.5542 2.34938461538461 2.34938461538461 
 assign ( resid 12 and name HD+ ) ( resid 52 and name HD+ ) 3.3151 1.39623076923077 1.39623076923077 
 assign ( resid 12 and name HD+ ) ( resid 52 and name HB1 ) 3.7897 1.76130769230769 1.76130769230769 
 assign ( resid 40 and name HZ ) ( resid 31 and name HB2 ) 3.3201 1.40007692307692 1.40007692307692 
 assign ( resid 40 and name HZ ) ( resid 31 and name HB1 ) 4.5985 2.38346153846154 2.38346153846154 
 assign ( resid 40 and name HD+ ) ( resid 31 and name HB1 ) 3.2117 1.31669230769231 1.31669230769231 
 assign ( resid 40 and name HD+ ) ( resid 31 and name HA ) 3.5632 1.58707692307692 1.58707692307692 
 assign ( resid 16 and name HZ ) ( resid 34 and name HG12 ) 3.4325 1.48653846153846 1.48653846153846 
 assign ( resid 16 and name HZ ) ( resid 34 and name HD+ ) 3.8927 1.84053846153846 1.84053846153846 
 assign ( resid 27 and name HH2 ) ( resid 34 and name HD+ ) 3.0417 1.18592307692308 1.18592307692308 
 assign ( resid 27 and name HH2 ) ( resid 49 and name HB2 ) 3.6129 1.62530769230769 1.62530769230769 
 assign ( resid 27 and name HH2 ) ( resid 49 and name HB1 ) 3.3582 1.42938461538462 1.42938461538462 
 assign ( resid 27 and name HH2 ) ( resid 49 and name HG2 ) 3.3830 1.44846153846154 1.44846153846154 
 assign ( resid 27 and name HH2 ) ( resid 49 and name HG1 ) 5.0741 2.74930769230769 2.74930769230769 
 assign ( resid 56 and name HZ2 ) ( resid 21 and name HD+ ) 3.8038 1.77215384615385 1.77215384615385 
 assign ( resid 56 and name HZ2 ) ( resid 21 and name HD+ ) 3.7920 1.76307692307692 1.76307692307692 
 assign ( resid 56 and name HZ2 ) ( resid 21 and name HG ) 3.6571 1.65930769230769 1.65930769230769 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HG2 ) 3.8349 1.79607692307692 1.79607692307692 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HG1 ) 3.4221 1.47853846153846 1.47853846153846 
 assign ( resid 56 and name HH2 ) ( resid 23 and name HG1 ) 3.6922 1.68630769230769 1.68630769230769 
 assign ( resid 56 and name HZ3 ) ( resid 23 and name HG1 ) 3.2781 1.36776923076923 1.36776923076923 
 assign ( resid 56 and name HH2 ) ( resid 23 and name HG2 ) 2.2928 0.609846153846154 0.609846153846154 
 assign ( resid 56 and name HH2 ) ( resid 23 and name HE2 ) 3.5368 1.56676923076923 1.56676923076923 
 assign ( resid 56 and name HZ3 ) ( resid 23 and name HE2 ) 3.7331 1.71776923076923 1.71776923076923 
 assign ( resid 56 and name HZ3 ) ( resid 23 and name HG2 ) 1.6081 0.5 0.5 
 assign ( resid 16 and name HD+ ) ( resid 34 and name HB ) 3.9469 1.88223076923077 1.88223076923077 
 assign ( resid 16 and name HD+ ) ( resid 34 and name HG12 ) 3.5002 1.53861538461538 1.53861538461538 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HG2 ) 3.9572 1.89015384615385 1.89015384615385 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HG1 ) 3.6595 1.66115384615385 1.66115384615385 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HB1 ) 3.4868 1.52830769230769 1.52830769230769 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HB2 ) 3.9614 1.89338461538462 1.89338461538462 
 assign ( resid 19 and name HN ) ( resid 18 and name HB2 ) 3.5720 1.59384615384615 1.59384615384615 
 assign ( resid 19 and name HN ) ( resid 18 and name HB1 ) 3.1598 1.27676923076923 1.27676923076923 
 assign ( resid 19 and name HN ) ( resid 18 and name HG2 ) 4.1789 2.06069230769231 2.06069230769231 
 assign ( resid 19 and name HN ) ( resid 18 and name HG1 ) 3.6482 1.65246153846154 1.65246153846154 
 assign ( resid 56 and name HZ2 ) ( resid 23 and name HE2 ) 3.3559 1.42761538461538 1.42761538461538 
 assign ( resid 23 and name HZ1 ) ( resid 30 and name HG2 ) 3.1730 1.28692307692308 1.28692307692308 
 assign ( resid 23 and name HZ1 ) ( resid 30 and name HG1 ) 3.0369 1.18223076923077 1.18223076923077 
 assign ( resid 23 and name HZ1 ) ( resid 30 and name HB2 ) 3.3611 1.43161538461538 1.43161538461538 
 assign ( resid 23 and name HZ1 ) ( resid 21 and name HB1 ) 3.5714 1.59338461538462 1.59338461538462 
 assign ( resid 29 and name HN ) ( resid 26 and name HA ) 3.5889 1.60684615384615 1.60684615384615 
 assign ( resid 23 and name HZ1 ) ( resid 21 and name HB2 ) 3.7138 1.70292307692308 1.70292307692308 
 assign ( resid 23 and name HZ1 ) ( resid 21 and name HG ) 3.0964 1.228 1.228 
 assign ( resid 23 and name HZ1 ) ( resid 21 and name HD+ ) 3.9055 1.85038461538462 1.85038461538462 
 assign ( resid 23 and name HZ1 ) ( resid 21 and name HD+ ) 3.5979 1.61376923076923 1.61376923076923 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HA ) 3.7248 1.71138461538462 1.71138461538462 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HA ) 3.8489 1.80684615384615 1.80684615384615 
 assign ( resid 15 and name HN ) ( resid 11 and name HA ) 3.6396 1.64584615384615 1.64584615384615 
 assign ( resid 40 and name HD+ ) ( resid 41 and name HA ) 3.9264 1.86646153846154 1.86646153846154 
 assign ( resid 56 and name HD1 ) ( resid 13 and name HA ) 2.7919 0.993769230769231 0.993769230769231 
 assign ( resid 12 and name HD+ ) ( resid 42 and name HG1 ) 3.7411 1.72392307692308 1.72392307692308 
 assign ( resid 12 and name HD+ ) ( resid 42 and name HG2 ) 4.2738 2.13369230769231 2.13369230769231 
 assign ( resid 12 and name HD+ ) ( resid 42 and name HB1 ) 3.2119 1.31684615384615 1.31684615384615 
 assign ( resid 12 and name HD+ ) ( resid 42 and name HB2 ) 3.4906 1.53123076923077 1.53123076923077 
 assign ( resid 13 and name HZ ) ( resid 55 and name HG1 ) 3.0250 1.17307692307692 1.17307692307692 
 assign ( resid 13 and name HZ ) ( resid 55 and name HG2 ) 3.6138 1.626 1.626 
 assign ( resid 38 and name HD2 ) ( resid 37 and name HA ) 3.2677 1.35976923076923 1.35976923076923 
 assign ( resid 38 and name HD1 ) ( resid 37 and name HA ) 3.3694 1.438 1.438 
 assign ( resid 42 and name HE2 ) ( resid 39 and name HA ) 3.1257 1.25053846153846 1.25053846153846 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HA ) 3.8160 1.78153846153846 1.78153846153846 
 assign ( resid 34 and name HD+ ) ( resid 19 and name HB2 ) 3.3417 1.41669230769231 1.41669230769231 
 assign ( resid 34 and name HD+ ) ( resid 19 and name HB1 ) 3.2474 1.34415384615385 1.34415384615385 
 assign ( resid 34 and name HD+ ) ( resid 21 and name HG ) 3.7707 1.74669230769231 1.74669230769231 
 assign ( resid 34 and name HD+ ) ( resid 31 and name HB2 ) 3.7813 1.75484615384615 1.75484615384615 
 assign ( resid 34 and name HG12 ) ( resid 31 and name HB2 ) 3.2908 1.37753846153846 1.37753846153846 
 assign ( resid 53 and name HB1 ) ( resid 52 and name HA ) 2.8450 1.03461538461538 1.03461538461538 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HA ) 3.2933 1.37946153846154 1.37946153846154 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HB1 ) 4.0242 1.94169230769231 1.94169230769231 
 assign ( resid 52 and name HD+ ) ( resid 48 and name HA ) 2.9718 1.13215384615385 1.13215384615385 
 assign ( resid 52 and name HD+ ) ( resid 48 and name HA ) 2.5607 0.815923076923077 0.815923076923077 
 assign ( resid 13 and name HB2 ) ( resid 10 and name HA ) 3.2747 1.36515384615385 1.36515384615385 
 assign ( resid 13 and name HB1 ) ( resid 10 and name HA ) 3.1501 1.26930769230769 1.26930769230769 
 assign ( resid 57 and name HA ) ( resid 23 and name HA ) 3.4600 1.50769230769231 1.50769230769231 
 assign ( resid 56 and name HB2 ) ( resid 53 and name HA ) 3.4081 1.46776923076923 1.46776923076923 
 assign ( resid 56 and name HB1 ) ( resid 53 and name HA ) 3.6067 1.62053846153846 1.62053846153846 
 assign ( resid 57 and name HB1 ) ( resid 54 and name HA ) 3.4356 1.48892307692308 1.48892307692308 
 assign ( resid 57 and name HB2 ) ( resid 54 and name HA ) 3.0978 1.22907692307692 1.22907692307692 
 assign ( resid 37 and name HB1 ) ( resid 34 and name HA ) 3.3041 1.38776923076923 1.38776923076923 
 assign ( resid 37 and name HB2 ) ( resid 34 and name HA ) 3.3967 1.459 1.459 
 assign ( resid 12 and name HB1 ) ( resid 9 and name HA ) 3.5739 1.59530769230769 1.59530769230769 
 assign ( resid 12 and name HB2 ) ( resid 9 and name HA ) 3.4000 1.46153846153846 1.46153846153846 
 assign ( resid 52 and name HD+ ) ( resid 49 and name HA ) 3.1631 1.27930769230769 1.27930769230769 
 assign ( resid 52 and name HD+ ) ( resid 12 and name HB2 ) 3.2017 1.309 1.309 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HA ) 3.2904 1.37723076923077 1.37723076923077 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HA ) 3.9457 1.88130769230769 1.88130769230769 
 assign ( resid 11 and name HD+ ) ( resid 12 and name HA ) 3.5938 1.61061538461538 1.61061538461538 
 assign ( resid 52 and name HD+ ) ( resid 12 and name HB1 ) 3.0189 1.16838461538462 1.16838461538462 
 assign ( resid 52 and name HD+ ) ( resid 48 and name HD+ ) 3.1876 1.29815384615385 1.29815384615385 
 assign ( resid 34 and name HD+ ) ( resid 21 and name HD+ ) 3.3345 1.41115384615385 1.41115384615385 
 assign ( resid 34 and name HD+ ) ( resid 21 and name HD+ ) 3.1050 1.23461538461538 1.23461538461538 
 assign ( resid 34 and name HD+ ) ( resid 15 and name HD+ ) 3.5761 1.597 1.597 
 assign ( resid 34 and name HD+ ) ( resid 15 and name HG ) 3.2331 1.33315384615385 1.33315384615385 
 assign ( resid 34 and name HD+ ) ( resid 15 and name HD+ ) 3.3436 1.41815384615385 1.41815384615385 
 assign ( resid 43 and name HD+ ) ( resid 8 and name HG2 ) 3.5050 1.54230769230769 1.54230769230769 
 assign ( resid 52 and name HD+ ) ( resid 8 and name HG2 ) 3.0780 1.21384615384615 1.21384615384615 
 assign ( resid 52 and name HD+ ) ( resid 8 and name HG2 ) 3.3860 1.45076923076923 1.45076923076923 
 assign ( resid 11 and name HD+ ) ( resid 39 and name HB1 ) 3.0531 1.19469230769231 1.19469230769231 
 assign ( resid 11 and name HD+ ) ( resid 39 and name HB2 ) 3.4212 1.47784615384615 1.47784615384615 
 assign ( resid 52 and name HD+ ) ( resid 8 and name HB2 ) 3.8678 1.82138461538462 1.82138461538462 
 assign ( resid 52 and name HD+ ) ( resid 8 and name HB2 ) 3.9527 1.88669230769231 1.88669230769231 
 assign ( resid 43 and name HG12 ) ( resid 8 and name HB2 ) 3.6475 1.65192307692308 1.65192307692308 
 assign ( resid 34 and name HD+ ) ( resid 35 and name HG2 ) 3.0341 1.18007692307692 1.18007692307692 
 assign ( resid 11 and name HD+ ) ( resid 42 and name HB2 ) 3.6048 1.61907692307692 1.61907692307692 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HB2 ) 3.2172 1.32092307692308 1.32092307692308 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HB2 ) 3.4818 1.52446153846154 1.52446153846154 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HB1 ) 3.0819 1.21684615384615 1.21684615384615 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HB1 ) 3.5659 1.58915384615385 1.58915384615385 
 assign ( resid 11 and name HD+ ) ( resid 8 and name HA ) 3.0794 1.21492307692308 1.21492307692308 
 assign ( resid 11 and name HD+ ) ( resid 8 and name HA ) 3.7195 1.70730769230769 1.70730769230769 
 assign ( resid 33 and name HG2 ) ( resid 30 and name HA ) 3.1950 1.30384615384615 1.30384615384615 
 assign ( resid 33 and name HD2 ) ( resid 30 and name HA ) 3.5930 1.61 1.61 
 assign ( resid 33 and name HB2 ) ( resid 30 and name HA ) 3.5758 1.59676923076923 1.59676923076923 
 assign ( resid 21 and name HD+ ) ( resid 30 and name HA ) 3.6837 1.67976923076923 1.67976923076923 
 assign ( resid 21 and name HD+ ) ( resid 30 and name HA ) 3.9018 1.84753846153846 1.84753846153846 
 assign ( resid 9 and name HB2 ) ( resid 6 and name HA ) 3.4910 1.53153846153846 1.53153846153846 
 assign ( resid 9 and name HB1 ) ( resid 6 and name HA ) 3.4240 1.48 1.48 
 assign ( resid 11 and name HD+ ) ( resid 39 and name HA ) 3.5538 1.57984615384615 1.57984615384615 
 assign ( resid 42 and name HG1 ) ( resid 39 and name HA ) 3.0322 1.17861538461538 1.17861538461538 
 assign ( resid 42 and name HG2 ) ( resid 39 and name HA ) 2.5025 0.771153846153846 0.771153846153846 
 assign ( resid 42 and name HB2 ) ( resid 39 and name HA ) 3.6255 1.635 1.635 
 assign ( resid 10 and name HB2 ) ( resid 7 and name HA ) 3.2510 1.34692307692308 1.34692307692308 
 assign ( resid 52 and name HB2 ) ( resid 49 and name HA ) 3.4330 1.48692307692308 1.48692307692308 
 assign ( resid 54 and name HB2 ) ( resid 51 and name HA ) 3.0661 1.20469230769231 1.20469230769231 
 assign ( resid 54 and name HB1 ) ( resid 51 and name HA ) 3.4091 1.46853846153846 1.46853846153846 
 assign ( resid 34 and name HD+ ) ( resid 31 and name HA ) 3.1304 1.25415384615385 1.25415384615385 
 assign ( resid 21 and name HD+ ) ( resid 16 and name HA ) 3.9161 1.85853846153846 1.85853846153846 
 assign ( resid 21 and name HD+ ) ( resid 16 and name HA ) 3.1089 1.23761538461538 1.23761538461538 
 assign ( resid 34 and name HG11 ) ( resid 31 and name HA ) 2.5862 0.835538461538461 0.835538461538461 
 assign ( resid 34 and name HD+ ) ( resid 31 and name HA ) 3.8536 1.81046153846154 1.81046153846154 
 assign ( resid 34 and name HG12 ) ( resid 31 and name HA ) 2.5451 0.803923076923077 0.803923076923077 
 assign ( resid 11 and name HD+ ) ( resid 42 and name HE2 ) 3.7003 1.69253846153846 1.69253846153846 
 assign ( resid 23 and name HD1 ) ( resid 57 and name HA ) 3.0818 1.21676923076923 1.21676923076923 
 assign ( resid 21 and name HD+ ) ( resid 19 and name HB2 ) 3.3500 1.42307692307692 1.42307692307692 
 assign ( resid 21 and name HD+ ) ( resid 19 and name HB2 ) 3.7030 1.69461538461538 1.69461538461538 
 assign ( resid 21 and name HD+ ) ( resid 19 and name HB1 ) 3.6073 1.621 1.621 
 assign ( resid 21 and name HD+ ) ( resid 19 and name HB1 ) 3.6624 1.66338461538462 1.66338461538462 
 assign ( resid 49 and name HD2 ) ( resid 46 and name HA ) 3.3263 1.40484615384615 1.40484615384615 
 assign ( resid 49 and name HD1 ) ( resid 46 and name HA ) 3.5313 1.56253846153846 1.56253846153846 
 assign ( resid 52 and name HN ) ( resid 48 and name HD+ ) 3.8120 1.77846153846154 1.77846153846154 
 !From hbonds, file hbonds 

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