Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
145629 | 2koe RC | 16504 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign (resid 10 and name HA) (resid 12 and name HN) 4.0 2.2 2.0 !T 1.099134 5 CYS/LEU 4.86 -8.60e-001 0 0 assign (resid 10 and name HB1) (resid 10 and name HA) 4.0 2.2 2.0 !CYS CYS 127134.25195313 assign (resid 10 and name HB1) (resid 10 and name HB2) 4.0 2.2 2.0 !CYS CYS 128450.75390625 assign (resid 10 and name HB1) (resid 11 and name HB1) 4.0 2.2 2.0 !B 1.035723 5 CYS/LEU 6.78 -2.78e+000 0 2 assign (resid 10 and name HB1) (resid 11 and name HB2) 4.0 2.2 2.0 !B 1.035723 5 CYS/LEU 5.97 -1.97e+000 0 2 assign (resid 10 and name HB2) (resid 13 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 CYS/ASN 5.58 -1.58e+000 0 0 assign (resid 10 and name HN) (resid 10 and name HA) 4.0 2.2 2.0 !CYS CYS 108479.4375 assign (resid 10 and name HN) (resid 10 and name HB1) 4.0 2.2 2.0 ! 1.041760 5 CYS/CYS 3.62 3.77e-001 0 0 assign (resid 10 and name HN) (resid 10 and name HB1) 4.0 2.2 2.0 !CYS CYS 107503.484375 assign (resid 10 and name HN) (resid 10 and name HB2) 4.0 2.2 2.0 !CYS CYS 110438.80078125 assign (resid 11 and name HA) (resid 11 and name HN) 4.0 2.2 2.0 !LEU LEU 28868.760742188 assign (resid 11 and name HB1) (resid 12 and name HD#) 4.0 2.2 2.0 !TAISPA 1.000000 2 LEU/LEU 7.65 -4.65e+000 2 0 assign (resid 11 and name HB1) (resid 12 and name HG) 4.0 2.2 2.0 !TAISPA 1.000000 5 LEU/LEU 6.54 -4.54e+000 2 0 assign (resid 11 and name HB1) (resid 12 and name HN) 4.0 2.2 2.0 !A 1.011819 5 LEU/LEU 3.18 -1.78e-001 2 0 assign (resid 11 and name HB1) (resid 13 and name HN) 4.0 2.2 2.0 !TAISPA 1.000000 5 LEU/ASN 4.75 -7.53e-001 2 0 assign (resid 11 and name HB2) (resid 12 and name HD#) 4.0 2.2 2.0 !TAISPA 1.000000 2 LEU/LEU 7.37 -4.37e+000 2 0 assign (resid 11 and name HB2) (resid 12 and name HG) 4.0 2.2 2.0 !TAISPA 1.000000 5 LEU/LEU 6.71 -4.71e+000 2 0 assign (resid 11 and name HB2) (resid 12 and name HN) 4.0 2.2 2.0 !A 1.011819 5 LEU/LEU 2.54 -5.39e-001 2 0 assign (resid 11 and name HB2) (resid 13 and name HN) 4.0 2.2 2.0 !TAISPA 1.000000 5 LEU/ASN 4.67 -6.69e-001 2 0 assign (resid 11 and name HB#) (resid 11 and name HA) 4.0 2.2 2.0 !LEU LEU 79212.98828125 assign (resid 11 and name HB#) (resid 11 and name HD#) 4.0 2.2 2.0 !LEU LEU 80332.046875 assign (resid 11 and name HB#) (resid 11 and name HG) 4.0 2.2 2.0 !LEU LEU 79762.217529297 assign (resid 11 and name HB#) (resid 11 and name HN) 4.0 2.2 2.0 !LEU LEU 79403.103515625 assign (resid 11 and name HD#) (resid 11 and name HA) 4.0 2.2 2.0 !LEU LEU 225752.50585938 assign (resid 11 and name HD#) (resid 9 and name HN) 4.0 2.2 2.0 !LEU LEU 227451.2109375 assign (resid 11 and name HG) (resid 11 and name HA) 4.0 2.2 2.0 !LEU LEU 137808.34375 assign (resid 11 and name HG) (resid 11 and name HD#) 4.0 2.2 2.0 !LEU LEU 138882.375 assign (resid 11 and name HG) (resid 11 and name HD#) 4.0 2.2 2.0 !F 1.000000 2 LEU/LEU 2.82 1.84e-001 0 0 assign (resid 11 and name HG) (resid 12 and name HN) 4.0 2.2 2.0 ! 1.026415 5 LEU/LEU 4.99 -9.87e-001 0 0 assign (resid 11 and name HN) (resid 11 and name HD#) 4.0 2.2 2.0 !LEU LEU 84415.216796875 assign (resid 11 and name HN) (resid 11 and name HG) 4.0 2.2 2.0 !LEU LEU 83072.5859375 assign (resid 11 and name HN) (resid 12 and name HN) 4.0 2.2 2.0 ! 1.061791 5 LEU/LEU 2.61 -6.14e-001 0 0 assign (resid 11 and name HN) (resid 8 and name HA) 4.0 2.2 2.0 !LEU MET 84656.403442383 assign (resid 12 and name HA) (resid 12 and name HB#) 4.0 2.2 2.0 !LEU LEU 17276.575683594 assign (resid 12 and name HA) (resid 12 and name HD#) 4.0 2.2 2.0 !LEU LEU 17101.870117188 assign (resid 12 and name HA) (resid 12 and name HN) 4.0 2.2 2.0 !LEU LEU 17004.264648438 assign (resid 12 and name HA) (resid 13 and name HN) 4.0 2.2 2.0 !LEU ASN 17155.864746094 assign (resid 12 and name HB1) (resid 12 and name HD#) 4.0 2.2 2.0 !A 1.023653 2 LEU/LEU 3.52 4.78e-001 2 0 assign (resid 12 and name HB1) (resid 13 and name HB1) 4.0 2.2 2.0 !AB 0.969887 5 LEU/ASN 6.00 -2.00e+000 2 2 assign (resid 12 and name HB1) (resid 13 and name HB2) 4.0 2.2 2.0 !AB 0.969887 5 LEU/ASN 5.04 -1.04e+000 2 2 assign (resid 12 and name HB1) (resid 14 and name HN) 4.0 2.2 2.0 !TA 1.099083 5 LEU/SER 5.82 -1.82e+000 2 0 assign (resid 12 and name HB1) (resid 15 and name HG2#) 4.0 2.2 2.0 !A 0.966324 2 LEU/THR 6.31 -2.31e+000 2 0 assign (resid 12 and name HB1) (resid 26 and name HG2) 4.0 2.2 2.0 !TAISPA 1.000000 5 LEU/LYS 5.93 -1.93e+000 2 0 assign (resid 12 and name HB2) (resid 12 and name HD#) 4.0 2.2 2.0 !A 1.023653 2 LEU/LEU 2.89 1.11e-001 2 0 assign (resid 12 and name HB2) (resid 13 and name HB1) 4.0 2.2 2.0 !ABISPAC 1.000000 5 LEU/ASN 7.43 -3.43e+000 2 2 assign (resid 12 and name HB2) (resid 13 and name HB2) 4.0 2.2 2.0 !AB 0.969887 5 LEU/ASN 6.40 -2.40e+000 2 2 assign (resid 12 and name HB2) (resid 14 and name HN) 4.0 2.2 2.0 !TA 1.099083 5 LEU/SER 6.74 -2.74e+000 2 0 assign (resid 12 and name HB2) (resid 15 and name HG2#) 4.0 2.2 2.0 !A 0.966324 2 LEU/THR 5.67 -1.67e+000 2 0 assign (resid 12 and name HD#) (resid 12 and name HB#) 4.0 2.2 2.0 !LEU LEU 42342.139648438 assign (resid 12 and name HD#) (resid 12 and name HG) 4.0 2.2 2.0 !LEU LEU 42075.564697266 assign (resid 12 and name HD#) (resid 13 and name HN) 4.0 2.2 2.0 !LEU ASN 42034.661132813 assign (resid 12 and name HD#) (resid 17 and name HD22) 4.0 2.2 2.0 !LEU ASN 42226.240234375 assign (resid 12 and name HD#) (resid 26 and name HD2) 4.0 2.2 2.0 !T 1.098475 2 LEU/LYS 4.21 -1.21e+000 0 0 assign (resid 12 and name HG) (resid 12 and name HA) 4.0 2.2 2.0 !LEU LEU 126684.48632813 assign (resid 12 and name HG) (resid 12 and name HB#) 4.0 2.2 2.0 !LEU LEU 126908.859375 assign (resid 12 and name HN) (resid 11 and name HB#) 4.0 2.2 2.0 !LEU LEU 17384.19921875 assign (resid 12 and name HN) (resid 11 and name HN) 4.0 2.2 2.0 !LEU LEU 17490.359619141 assign (resid 12 and name HN) (resid 12 and name HB#) 4.0 2.2 2.0 !LEU LEU 17965.079589844 assign (resid 12 and name HN) (resid 12 and name HD#) 4.0 2.2 2.0 ! 1.057247 2 LEU/LEU 5.28 -1.28e+000 0 0 assign (resid 12 and name HN) (resid 12 and name HD#) 4.0 2.2 2.0 !LEU LEU 17351.2890625 assign (resid 12 and name HN) (resid 12 and name HG) 4.0 2.2 2.0 !LEU LEU 17802.084716797 assign (resid 12 and name HN) (resid 13 and name HA) 4.0 2.2 2.0 !T 1.094703 5 LEU/ASN 5.42 -1.42e+000 0 0 assign (resid 12 and name HN) (resid 13 and name HB1) 4.0 2.2 2.0 !B 0.996436 5 LEU/ASN 6.40 -2.40e+000 0 2 assign (resid 12 and name HN) (resid 13 and name HB2) 4.0 2.2 2.0 !B 0.996436 5 LEU/ASN 4.96 -9.58e-001 0 2 assign (resid 12 and name HN) (resid 13 and name HN) 4.0 2.2 2.0 ! 1.072747 5 LEU/ASN 2.81 1.89e-001 0 0 assign (resid 12 and name HN) (resid 13 and name HN) 4.0 2.2 2.0 !LEU ASN 17502.175048828 assign (resid 12 and name HN) (resid 14 and name HN) 4.0 2.2 2.0 !T 1.095246 5 LEU/SER 5.07 -1.07e+000 0 0 assign (resid 12 and name HN) (resid 16 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/VAL 6.58 -2.58e+000 0 0 assign (resid 12 and name HN) (resid 8 and name HA) 4.0 2.2 2.0 !LEU MET 18060.380371094 assign (resid 12 and name HN) (resid 9 and name HA) 4.0 2.2 2.0 !LEU LEU 18187.220397949 assign (resid 13 and name HA) (resid 13 and name HB1) 4.0 2.2 2.0 !B 1.008627 5 ASN/ASN 2.55 -5.47e-001 0 2 assign (resid 13 and name HA) (resid 13 and name HB2) 4.0 2.2 2.0 !B 1.008627 5 ASN/ASN 3.01 -1.46e-002 0 2 assign (resid 13 and name HA) (resid 13 and name HD21) 4.0 2.2 2.0 ! 0.974310 5 ASN/ASN 3.20 -1.96e-001 0 0 assign (resid 13 and name HA) (resid 13 and name HD22) 4.0 2.2 2.0 ! 0.961363 5 ASN/ASN 3.89 1.09e-001 0 0 assign (resid 13 and name HA) (resid 14 and name HN) 4.0 2.2 2.0 !T 1.097230 5 ASN/SER 3.53 4.73e-001 0 0 assign (resid 13 and name HA) (resid 16 and name HB) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/VAL 6.93 -2.93e+000 0 0 assign (resid 13 and name HA) (resid 16 and name HG2#) 4.0 2.2 2.0 !TISPA 1.000000 2 ASN/VAL 7.80 -4.80e+000 0 0 assign (resid 13 and name HA) (resid 16 and name HN) 4.0 2.2 2.0 !T 1.083914 5 ASN/VAL 4.41 -4.08e-001 0 0 assign (resid 13 and name HA) (resid 17 and name HD21) 4.0 2.2 2.0 !T 1.093279 5 ASN/ASN 5.50 -1.50e+000 0 0 assign (resid 13 and name HA) (resid 17 and name HN) 4.0 2.2 2.0 ! 0.969725 5 ASN/ASN 3.36 6.44e-001 0 0 assign (resid 13 and name HA) (resid 18 and name HG2) 4.0 2.2 2.0 ! 0.955782 5 ASN/PRO 5.15 -1.15e+000 0 0 assign (resid 13 and name HA) (resid 23 and name HD1#) 4.0 2.2 2.0 ! 1.081359 2 ASN/LEU 5.69 -1.69e+000 0 0 assign (resid 13 and name HA) (resid 23 and name HG) 4.0 2.2 2.0 !T 1.098086 5 ASN/LEU 5.34 -1.34e+000 0 0 assign (resid 13 and name HB1) (resid 13 and name HD21) 4.0 2.2 2.0 !A 0.908227 5 ASN/ASN 3.62 3.79e-001 2 0 assign (resid 13 and name HB1) (resid 13 and name HD22) 4.0 2.2 2.0 !A 0.908789 5 ASN/ASN 4.12 -1.23e-001 2 0 assign (resid 13 and name HB1) (resid 14 and name HB1) 4.0 2.2 2.0 !A 0.969888 5 ASN/SER 5.27 -1.27e+000 2 0 assign (resid 13 and name HB1) (resid 14 and name HN) 4.0 2.2 2.0 !TA 0.905093 5 ASN/SER 2.87 1.13e+000 2 0 assign (resid 13 and name HB1) (resid 18 and name HD1) 4.0 2.2 2.0 !A 0.910437 5 ASN/PRO 3.30 6.98e-001 2 0 assign (resid 13 and name HB2) (resid 13 and name HD21) 4.0 2.2 2.0 !A 0.908227 5 ASN/ASN 2.63 -6.28e-001 2 0 assign (resid 13 and name HB2) (resid 13 and name HD22) 4.0 2.2 2.0 !A 0.908789 5 ASN/ASN 3.66 3.37e-001 2 0 assign (resid 13 and name HB2) (resid 14 and name HB1) 4.0 2.2 2.0 !A 0.969888 5 ASN/SER 4.47 -4.74e-001 2 0 assign (resid 13 and name HB2) (resid 14 and name HN) 4.0 2.2 2.0 !TA 0.905093 5 ASN/SER 2.11 -1.06e-001 2 0 assign (resid 13 and name HB2) (resid 18 and name HD1) 4.0 2.2 2.0 !A 0.910437 5 ASN/PRO 4.60 -6.03e-001 2 0 assign (resid 13 and name HB#) (resid 13 and name HA) 4.0 2.2 2.0 !ASN ASN 28764.010742188 assign (resid 13 and name HB#) (resid 13 and name HD21) 4.0 2.2 2.0 !ASN ASN 28866 assign (resid 13 and name HB#) (resid 13 and name HN) 4.0 2.2 2.0 !ASN ASN 28441.900390625 assign (resid 13 and name HB#) (resid 14 and name HN) 4.0 2.2 2.0 !ASN SER 28436.934570313 assign (resid 13 and name HD21) (resid 13 and name HA) 4.0 2.2 2.0 !ASN ASN 212111.2890625 assign (resid 13 and name HD21) (resid 13 and name HD22) 4.0 2.2 2.0 !F 1.000000 5 ASN/ASN 1.78 2.20e-001 0 0 assign (resid 13 and name HD21) (resid 14 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/SER 6.65 -2.65e+000 0 0 assign (resid 13 and name HD21) (resid 17 and name HD22) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 7.76 -3.76e+000 0 0 assign (resid 13 and name HD21) (resid 17 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 6.45 -2.45e+000 0 0 assign (resid 13 and name HD21) (resid 26 and name HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/LYS 6.95 -2.95e+000 0 0 assign (resid 13 and name HD22) (resid 13 and name HA) 4.0 2.2 2.0 !ASN ASN 6741.1899414063 assign (resid 13 and name HD22) (resid 13 and name HB#) 4.0 2.2 2.0 !ASN ASN 6109.4350585938 assign (resid 13 and name HD22) (resid 13 and name HD21) 4.0 2.2 2.0 !ASN ASN 6942.7148513794 assign (resid 13 and name HD22) (resid 13 and name HN) 4.0 2.2 2.0 !ASN ASN 6631.8548583984 assign (resid 13 and name HD22) (resid 17 and name HD22) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 7.10 -4.10e+000 0 0 assign (resid 13 and name HD22) (resid 23 and name HD1#) 4.0 2.2 2.0 ! 1.009138 2 ASN/LEU 4.58 -5.77e-001 0 0 assign (resid 13 and name HD22) (resid 9 and name HD#) 4.0 2.2 2.0 !ASN LEU 6390.6047973633 assign (resid 13 and name HN) (resid 10 and name HN) 4.0 2.2 2.0 !ASN CYS 86698.19921875 assign (resid 13 and name HN) (resid 11 and name HA) 4.0 2.2 2.0 !ASN LEU 86596.3359375 assign (resid 13 and name HN) (resid 12 and name HB#) 4.0 2.2 2.0 !ASN LEU 87315.78125 assign (resid 13 and name HN) (resid 13 and name HA) 4.0 2.2 2.0 !ASN ASN 86810.908203125 assign (resid 13 and name HN) (resid 13 and name HA) 4.0 2.2 2.0 !T 1.095960 5 ASN/ASN 2.92 -9.23e-001 0 0 assign (resid 13 and name HN) (resid 13 and name HB1) 4.0 2.2 2.0 !B 0.973191 5 ASN/ASN 3.61 3.89e-001 0 2 assign (resid 13 and name HN) (resid 13 and name HB2) 4.0 2.2 2.0 !B 0.973191 5 ASN/ASN 2.35 -3.51e-001 0 2 assign (resid 13 and name HN) (resid 13 and name HD21) 4.0 2.2 2.0 !ASN ASN 87023.3671875 assign (resid 13 and name HN) (resid 13 and name HD21) 4.0 2.2 2.0 !T 0.904323 5 ASN/ASN 2.00 2.41e-003 0 0 assign (resid 13 and name HN) (resid 13 and name HD22) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 3.66 3.39e-001 0 0 assign (resid 13 and name HN) (resid 14 and name HN) 4.0 2.2 2.0 ! 1.079035 5 ASN/SER 2.76 2.44e-001 0 0 assign (resid 13 and name HN) (resid 16 and name HN) 4.0 2.2 2.0 !ASN VAL 87196.936553955 assign (resid 13 and name HN) (resid 9 and name HA) 4.0 2.2 2.0 !ASN LEU 88484.109375 assign (resid 13 and name HN) (resid 9 and name HN) 4.0 2.2 2.0 !ASN LEU 87674.752929688 assign (resid 14 and name HA) (resid 15 and name HG2#) 4.0 2.2 2.0 !T 1.096524 2 SER/THR 6.07 -2.07e+000 0 0 assign (resid 14 and name HA) (resid 15 and name HN) 4.0 2.2 2.0 !SER THR 72379.111328125 assign (resid 14 and name HA) (resid 16 and name HN) 4.0 2.2 2.0 !SER VAL 72831.921875 assign (resid 14 and name HB1) (resid 15 and name HN) 4.0 2.2 2.0 !SER THR 22021.275878906 assign (resid 14 and name HB2) (resid 14 and name HB1) 4.0 2.2 2.0 !SER SER 122708.98291016 assign (resid 14 and name HN) (resid 12 and name HN) 4.0 2.2 2.0 !SER LEU 62243.66015625 assign (resid 14 and name HN) (resid 13 and name HA) 4.0 2.2 2.0 !SER ASN 63906.099609375 assign (resid 14 and name HN) (resid 13 and name HN) 4.0 2.2 2.0 !SER ASN 63496.665039063 assign (resid 14 and name HN) (resid 14 and name HA) 4.0 2.2 2.0 !SER SER 62859.549804688 assign (resid 14 and name HN) (resid 14 and name HA) 4.0 2.2 2.0 ! 1.082892 5 SER/SER 2.80 2.00e-001 0 0 assign (resid 14 and name HN) (resid 14 and name HB1) 4.0 2.2 2.0 !SER SER 62715.095703125 assign (resid 14 and name HN) (resid 14 and name HB2) 4.0 2.2 2.0 !SER SER 64119.33984375 assign (resid 14 and name HN) (resid 14 and name HB2) 4.0 2.2 2.0 ! 1.032114 5 SER/SER 2.63 -6.34e-001 0 0 assign (resid 14 and name HN) (resid 15 and name HB) 4.0 2.2 2.0 !TISPA 1.000000 5 SER/THR 6.39 -2.39e+000 0 0 assign (resid 14 and name HN) (resid 15 and name HG2#) 4.0 2.2 2.0 ! 1.074682 2 SER/THR 5.31 -1.31e+000 0 0 assign (resid 14 and name HN) (resid 15 and name HG2#) 4.0 2.2 2.0 !SER THR 65064.128662109 assign (resid 14 and name HN) (resid 15 and name HN) 4.0 2.2 2.0 !SER THR 63339.130859375 assign (resid 15 and name HA) (resid 15 and name HG2#) 4.0 2.2 2.0 ! 1.037971 2 THR/THR 3.02 -2.45e-002 0 0 assign (resid 15 and name HA) (resid 16 and name HB) 4.0 2.2 2.0 !TISPA 1.000000 5 THR/VAL 5.62 -2.62e+000 0 0 assign (resid 15 and name HA) (resid 16 and name HG2#) 4.0 2.2 2.0 ! 1.013030 2 THR/VAL 4.19 -1.92e-001 0 0 assign (resid 15 and name HA) (resid 16 and name HN) 4.0 2.2 2.0 !THR VAL 54199.805664063 assign (resid 15 and name HB) (resid 15 and name HA) 4.0 2.2 2.0 !THR THR 9905.365234375 assign (resid 15 and name HB) (resid 15 and name HG2#) 4.0 2.2 2.0 !F 1.000000 2 THR/THR 2.81 1.95e-001 0 0 assign (resid 15 and name HB) (resid 15 and name HG2#) 4.0 2.2 2.0 !THR THR 10699.989990234 assign (resid 15 and name HB) (resid 15 and name HN) 4.0 2.2 2.0 !THR THR 9992.485168457 assign (resid 15 and name HB) (resid 16 and name HG1#) 4.0 2.2 2.0 ! 1.080745 2 THR/VAL 6.12 -2.12e+000 0 0 assign (resid 15 and name HB) (resid 16 and name HG2#) 4.0 2.2 2.0 ! 0.918479 2 THR/VAL 3.09 -8.69e-002 0 0 assign (resid 15 and name HB) (resid 16 and name HN) 4.0 2.2 2.0 !THR VAL 10233.224853516 assign (resid 15 and name HG2#) (resid 15 and name HA) 4.0 2.2 2.0 !THR THR 528864.8125 assign (resid 15 and name HG2#) (resid 16 and name HB) 4.0 2.2 2.0 ! 1.063991 2 THR/VAL 6.72 -2.72e+000 0 0 assign (resid 15 and name HG2#) (resid 16 and name HG2#) 4.0 2.2 2.0 ! 0.997074 2 THR/VAL 5.73 -1.73e+000 0 0 assign (resid 15 and name HG2#) (resid 16 and name HN) 4.0 2.2 2.0 ! 1.037197 2 THR/VAL 4.52 -5.23e-001 0 0 assign (resid 15 and name HG2#) (resid 17 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 2 THR/ASN 6.68 -2.68e+000 0 0 assign (resid 15 and name HN) (resid 13 and name HA) 4.0 2.2 2.0 !THR ASN 75587.3984375 assign (resid 15 and name HN) (resid 15 and name HA) 4.0 2.2 2.0 !THR THR 75412.93359375 assign (resid 15 and name HN) (resid 15 and name HG2#) 4.0 2.2 2.0 !THR THR 76365.376953125 assign (resid 15 and name HN) (resid 15 and name HG2#) 4.0 2.2 2.0 ! 1.017275 2 THR/THR 3.34 6.57e-001 0 0 assign (resid 15 and name HN) (resid 16 and name HN) 4.0 2.2 2.0 !THR VAL 76006.20703125 assign (resid 15 and name HN) (resid 16 and name HN) 4.0 2.2 2.0 !T 1.096668 5 THR/VAL 3.14 -1.14e+000 0 0 assign (resid 16 and name HA) (resid 16 and name HB) 4.0 2.2 2.0 !VAL VAL 88934.13671875 assign (resid 16 and name HA) (resid 16 and name HB) 4.0 2.2 2.0 ! 1.084888 5 VAL/VAL 3.02 -2.24e-002 0 0 assign (resid 16 and name HA) (resid 16 and name HG2#) 4.0 2.2 2.0 !VAL VAL 88690.90625 assign (resid 16 and name HA) (resid 16 and name HN) 4.0 2.2 2.0 !VAL VAL 88855.88671875 assign (resid 16 and name HA) (resid 17 and name HD21) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ASN 6.21 -2.21e+000 0 0 !assign (resid 16 and name HA) (resid 19 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ILE 6.03 -3.03e+000 0 0 assign (resid 16 and name HA) (resid 19 and name HB) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ILE 5.65 -2.65e+000 0 0 assign (resid 16 and name HA) (resid 20 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ILE 6.55 -2.55e+000 0 0 assign (resid 16 and name HB) (resid 16 and name HG2#) 4.0 2.2 2.0 !F 1.000000 2 VAL/VAL 2.82 1.78e-001 0 0 assign (resid 16 and name HB) (resid 17 and name HA) 4.0 2.2 2.0 !T 1.085130 5 VAL/ASN 4.59 -5.90e-001 0 0 assign (resid 16 and name HB) (resid 17 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ASN 4.31 -1.31e+000 0 0 assign (resid 16 and name HB) (resid 18 and name HD1) 4.0 2.2 2.0 !T 1.041292 5 VAL/PRO 6.54 -2.54e+000 0 0 assign (resid 16 and name HB) (resid 26 and name HD1) 4.0 2.2 2.0 !T 1.081716 5 VAL/LYS 6.30 -2.30e+000 0 0 assign (resid 16 and name HB) (resid 26 and name HD2) 4.0 2.2 2.0 !T 1.095997 5 VAL/LYS 5.31 -1.31e+000 0 0 assign (resid 16 and name HB) (resid 26 and name HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/LYS 6.07 -2.07e+000 0 0 assign (resid 16 and name HB) (resid 29 and name HD1) 4.0 2.2 2.0 !T 1.089156 5 VAL/ARG 6.10 -2.10e+000 0 0 assign (resid 16 and name HG1#) (resid 16 and name HA) 4.0 2.2 2.0 !VAL VAL 48096.48046875 assign (resid 16 and name HG1#) (resid 16 and name HB) 4.0 2.2 2.0 !VAL VAL 48268.2890625 assign (resid 16 and name HG1#) (resid 16 and name HN) 4.0 2.2 2.0 !VAL VAL 48188.384765625 assign (resid 16 and name HG1#) (resid 17 and name HN) 4.0 2.2 2.0 !T 1.097708 2 VAL/ASN 5.11 -1.11e+000 0 0 assign (resid 16 and name HG2#) (resid 16 and name HB) 4.0 2.2 2.0 !VAL VAL 157977.6796875 assign (resid 16 and name HG2#) (resid 16 and name HN) 4.0 2.2 2.0 !VAL VAL 157497.578125 assign (resid 16 and name HG2#) (resid 17 and name HA) 4.0 2.2 2.0 !T 1.094597 2 VAL/ASN 6.75 -2.75e+000 0 0 assign (resid 16 and name HG2#) (resid 17 and name HN) 4.0 2.2 2.0 !T 1.077528 2 VAL/ASN 5.37 -1.37e+000 0 0 assign (resid 16 and name HG2#) (resid 26 and name HE1) 4.0 2.2 2.0 !TB 1.097057 2 VAL/LYS 6.83 -2.83e+000 0 2 assign (resid 16 and name HG2#) (resid 26 and name HE2) 4.0 2.2 2.0 !TB 1.097057 2 VAL/LYS 7.66 -3.66e+000 0 2 assign (resid 16 and name HN) (resid 15 and name HG2#) 4.0 2.2 2.0 !VAL THR 215685.3046875 assign (resid 16 and name HN) (resid 16 and name HB) 4.0 2.2 2.0 ! 1.094818 5 VAL/VAL 3.04 -3.50e-002 0 0 assign (resid 16 and name HN) (resid 16 and name HB) 4.0 2.2 2.0 !VAL VAL 214778.59375 assign (resid 16 and name HN) (resid 16 and name HG1#) 4.0 2.2 2.0 ! 1.074822 2 VAL/VAL 4.96 -9.55e-001 0 0 assign (resid 16 and name HN) (resid 16 and name HG2#) 4.0 2.2 2.0 ! 1.035864 2 VAL/VAL 3.44 5.61e-001 0 0 !assign (resid 16 and name HN) (resid 17 and name HD21) 4.0 2.2 2.0 !TISPA 1.000000 5 VAL/ASN 6.33 -2.33e+000 0 0 assign (resid 16 and name HN) (resid 17 and name HN) 4.0 2.2 2.0 !T 1.098206 5 VAL/ASN 2.76 -7.63e-001 0 0 assign (resid 16 and name HN) (resid 18 and name HD1) 4.0 2.2 2.0 ! 0.983736 5 VAL/PRO 4.57 -5.73e-001 0 0 assign (resid 17 and name HA) (resid 17 and name HB1) 4.0 2.2 2.0 !B 1.060108 5 ASN/ASN 3.01 -5.70e-003 0 2 assign (resid 17 and name HA) (resid 17 and name HB2) 4.0 2.2 2.0 !B 1.060108 5 ASN/ASN 2.57 -5.69e-001 0 2 assign (resid 17 and name HA) (resid 17 and name HB#) 4.0 2.2 2.0 !ASN ASN 92392.140625 assign (resid 17 and name HA) (resid 17 and name HD21) 4.0 2.2 2.0 ! 0.931638 5 ASN/ASN 1.88 1.18e-001 0 0 assign (resid 17 and name HA) (resid 17 and name HD22) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 3.29 7.08e-001 0 0 assign (resid 17 and name HA) (resid 18 and name HG1) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/PRO 6.15 -2.15e+000 0 0 assign (resid 17 and name HA) (resid 19 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ILE 6.35 -2.35e+000 0 0 assign (resid 17 and name HA) (resid 19 and name HB) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ILE 5.78 -1.78e+000 0 0 assign (resid 17 and name HA) (resid 20 and name HN) 4.0 2.2 2.0 ! 1.081784 5 ASN/ILE 4.91 -9.11e-001 0 0 assign (resid 17 and name HA) (resid 21 and name HN) 4.0 2.2 2.0 ! 1.017323 5 ASN/TYR 4.40 -3.96e-001 0 0 assign (resid 17 and name HB1) (resid 18 and name HG1) 4.0 2.2 2.0 !A 0.944709 5 ASN/PRO 4.48 -4.75e-001 2 0 assign (resid 17 and name HB2) (resid 18 and name HG1) 4.0 2.2 2.0 !A 0.944709 5 ASN/PRO 5.84 -1.84e+000 2 0 assign (resid 17 and name HB#) (resid 17 and name HD22) 4.0 2.2 2.0 !ASN ASN 105152.98828125 assign (resid 17 and name HD21) (resid 13 and name HA) 4.0 2.2 2.0 !ASN ASN 32950.419921875 assign (resid 17 and name HD21) (resid 16 and name HA) 4.0 2.2 2.0 !ASN VAL 32760.629882813 assign (resid 17 and name HD21) (resid 17 and name HA) 4.0 2.2 2.0 !ASN ASN 32854.190429688 assign (resid 17 and name HD21) (resid 17 and name HB#) 4.0 2.2 2.0 !ASN ASN 32855.86529541 assign (resid 17 and name HD21) (resid 17 and name HD22) 4.0 2.2 2.0 !ASN ASN 33587.220703125 assign (resid 17 and name HD21) (resid 17 and name HD22) 4.0 2.2 2.0 !F 1.000000 5 ASN/ASN 1.78 2.20e-001 0 0 assign (resid 17 and name HD21) (resid 17 and name HN) 4.0 2.2 2.0 !ASN ASN 32566.74609375 !assign (resid 17 and name HD21) (resid 19 and name HA) 4.0 2.2 2.0 !ASN ILE 32916.594360352 assign (resid 17 and name HD21) (resid 19 and name HB) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ILE 6.26 -2.26e+000 0 0 assign (resid 17 and name HD21) (resid 20 and name HD1#) 4.0 2.2 2.0 !ASN ILE 33639.899414063 assign (resid 17 and name HD21) (resid 21 and name HA) 4.0 2.2 2.0 ! 1.036853 5 ASN/TYR 5.32 -1.32e+000 0 0 assign (resid 17 and name HD21) (resid 21 and name HB1) 4.0 2.2 2.0 !B 0.912091 5 ASN/TYR 4.33 -3.29e-001 0 2 assign (resid 17 and name HD21) (resid 21 and name HB2) 4.0 2.2 2.0 !B 0.912091 5 ASN/TYR 2.83 1.71e-001 0 2 assign (resid 17 and name HD21) (resid 23 and name HD1#) 4.0 2.2 2.0 !ASN LEU 33864.245452881 assign (resid 17 and name HD21) (resid 23 and name HG) 4.0 2.2 2.0 !T 1.098237 5 ASN/LEU 5.21 -1.21e+000 0 0 assign (resid 17 and name HD21) (resid 23 and name HN) 4.0 2.2 2.0 ! 0.973401 5 ASN/LEU 4.35 -3.51e-001 0 0 assign (resid 17 and name HD21) (resid 26 and name HG1) 4.0 2.2 2.0 ! 1.007701 5 ASN/LYS 5.03 -1.03e+000 0 0 assign (resid 17 and name HD22) (resid 17 and name HA) 4.0 2.2 2.0 !ASN ASN 128584.10546875 assign (resid 17 and name HD22) (resid 19 and name HD1#) 4.0 2.2 2.0 !ASN ILE 130109.73828125 assign (resid 17 and name HD22) (resid 21 and name HB1) 4.0 2.2 2.0 !TB 0.903479 5 ASN/TYR 4.01 -1.10e-002 0 2 assign (resid 17 and name HD22) (resid 21 and name HB2) 4.0 2.2 2.0 !TB 0.903479 5 ASN/TYR 3.11 8.88e-001 0 2 assign (resid 17 and name HD22) (resid 23 and name HG) 4.0 2.2 2.0 ! 0.994020 5 ASN/LEU 4.18 -1.81e-001 0 0 assign (resid 17 and name HD22) (resid 26 and name HG1) 4.0 2.2 2.0 ! 0.948667 5 ASN/LYS 4.17 -1.74e-001 0 0 assign (resid 17 and name HN) (resid 13 and name HA) 4.0 2.2 2.0 !ASN ASN 2999.3701171875 assign (resid 17 and name HN) (resid 15 and name HG2#) 4.0 2.2 2.0 !ASN THR 3769.0201416016 assign (resid 17 and name HN) (resid 16 and name HA) 4.0 2.2 2.0 !ASN VAL 2230.5200195313 assign (resid 17 and name HN) (resid 16 and name HB) 4.0 2.2 2.0 !ASN VAL 3723.6999511719 assign (resid 17 and name HN) (resid 16 and name HG1#) 4.0 2.2 2.0 !ASN VAL 1986.950012207 assign (resid 17 and name HN) (resid 16 and name HG2#) 4.0 2.2 2.0 !ASN VAL 3613.7700195313 assign (resid 17 and name HN) (resid 17 and name HA) 4.0 2.2 2.0 !ASN ASN 2265.8000488281 assign (resid 17 and name HN) (resid 17 and name HB1) 4.0 2.2 2.0 !B 1.070641 5 ASN/ASN 2.86 1.43e-001 0 2 assign (resid 17 and name HN) (resid 17 and name HB2) 4.0 2.2 2.0 !B 1.070641 5 ASN/ASN 2.91 8.67e-002 0 2 assign (resid 17 and name HN) (resid 17 and name HB#) 4.0 2.2 2.0 !ASN ASN 2943.3400878906 assign (resid 17 and name HN) (resid 17 and name HD21) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ASN 4.39 -1.39e+000 0 0 assign (resid 17 and name HN) (resid 17 and name HD22) 4.0 2.2 2.0 !ASN ASN 3327.0950927734 assign (resid 17 and name HN) (resid 17 and name HD22) 4.0 2.2 2.0 !T 1.080408 5 ASN/ASN 5.77 -1.77e+000 0 0 assign (resid 17 and name HN) (resid 20 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ASN/ILE 6.43 -4.43e+000 0 0 assign (resid 17 and name HN) (resid 21 and name HD#) 4.0 2.2 2.0 !TB 1.094036 1 ASN/TYR 6.72 -2.72e+000 0 0 assign (resid 18 and name HA) (resid 18 and name HD1) 4.0 2.2 2.0 !PRO PRO 105250.88671875 assign (resid 18 and name HA) (resid 18 and name HG1) 4.0 2.2 2.0 ! 0.953086 5 PRO/PRO 4.02 -1.73e-002 0 0 assign (resid 18 and name HA) (resid 18 and name HG1) 4.0 2.2 2.0 !PRO PRO 105929.91015625 assign (resid 18 and name HA) (resid 18 and name HG2) 4.0 2.2 2.0 !PRO PRO 105595.4296875 assign (resid 18 and name HA) (resid 19 and name HB) 4.0 2.2 2.0 !TISPA 1.000000 5 PRO/ILE 6.20 -2.20e+000 0 0 assign (resid 18 and name HA) (resid 19 and name HD1#) 4.0 2.2 2.0 ! 1.095404 2 PRO/ILE 4.98 -9.83e-001 0 0 assign (resid 18 and name HB1) (resid 18 and name HG1) 4.0 2.2 2.0 !TA 0.903303 5 PRO/PRO 2.30 6.97e-001 2 0 assign (resid 18 and name HB1) (resid 18 and name HG2) 4.0 2.2 2.0 !A 1.037047 5 PRO/PRO 2.98 1.91e-002 2 0 assign (resid 18 and name HB1) (resid 19 and name HD1#) 4.0 2.2 2.0 !A 1.005444 2 PRO/ILE 6.85 -2.85e+000 2 0 assign (resid 18 and name HB2) (resid 18 and name HG1) 4.0 2.2 2.0 !TA 0.903303 5 PRO/PRO 2.68 3.20e-001 2 0 assign (resid 18 and name HB2) (resid 18 and name HG2) 4.0 2.2 2.0 !A 1.037047 5 PRO/PRO 2.31 -3.08e-001 2 0 assign (resid 18 and name HB2) (resid 19 and name HB) 4.0 2.2 2.0 !TA 1.072714 5 PRO/ILE 6.87 -2.87e+000 2 0 assign (resid 18 and name HB2) (resid 19 and name HD1#) 4.0 2.2 2.0 !A 1.005444 2 PRO/ILE 6.64 -2.64e+000 2 0 assign (resid 18 and name HB#) (resid 18 and name HA) 4.0 2.2 2.0 !PRO PRO 4143.73487854 assign (resid 18 and name HB#) (resid 18 and name HD1) 4.0 2.2 2.0 !PRO PRO 3791.919921875 assign (resid 18 and name HB#) (resid 18 and name HD2) 4.0 2.2 2.0 !PRO PRO 4120.3000488281 assign (resid 18 and name HB#) (resid 18 and name HG1) 4.0 2.2 2.0 !PRO PRO 4541.7802734375 assign (resid 18 and name HD1) (resid 18 and name HD2) 4.0 2.2 2.0 !PRO PRO 28145.319335938 assign (resid 18 and name HD2) (resid 18 and name HA) 4.0 2.2 2.0 !PRO PRO 39964.559570313 assign (resid 18 and name HD2) (resid 18 and name HG1) 4.0 2.2 2.0 !PRO PRO 40309.533203125 assign (resid 18 and name HD2) (resid 18 and name HG2) 4.0 2.2 2.0 !PRO PRO 40079.304199219 assign (resid 18 and name HD2) (resid 19 and name HN) 4.0 2.2 2.0 !PRO ILE 39802.1796875 assign (resid 18 and name HG1) (resid 18 and name HD1) 4.0 2.2 2.0 !PRO PRO 209461.265625 assign (resid 18 and name HG1) (resid 18 and name HD2) 4.0 2.2 2.0 !TISPA 1.000000 5 PRO/PRO 2.76 1.24e+000 0 0 assign (resid 18 and name HG2) (resid 18 and name HB#) 4.0 2.2 2.0 !PRO PRO 113845.61328125 assign (resid 18 and name HG2) (resid 18 and name HD2) 4.0 2.2 2.0 !T 0.907016 5 PRO/PRO 2.30 6.98e-001 0 0 assign (resid 18 and name HG2) (resid 18 and name HG1) 4.0 2.2 2.0 !PRO PRO 114710.140625 assign (resid 18 and name HG2) (resid 18 and name HG1) 4.0 2.2 2.0 !F 1.000000 5 PRO/PRO 1.78 2.20e-001 0 0 assign (resid 18 and name HG2) (resid 19 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 PRO/ILE 4.48 -2.48e+000 0 0 assign (resid 19 and name HA) (resid 19 and name HB) 4.0 2.2 2.0 !ILE ILE 112577.51171875 assign (resid 19 and name HA) (resid 19 and name HB) 4.0 2.2 2.0 !TISPA 1.000000 5 ILE/ILE 2.82 -8.24e-001 0 0 assign (resid 19 and name HA) (resid 19 and name HD1#) 4.0 2.2 2.0 !ILE ILE 113006.19921875 assign (resid 19 and name HA) (resid 19 and name HG11) 4.0 2.2 2.0 !TISPA 1.000000 5 ILE/ILE 3.34 -1.34e+000 0 0 assign (resid 19 and name HA) (resid 19 and name HG1#) 4.0 2.2 2.0 !ILE ILE 112488.86328125 assign (resid 19 and name HA) (resid 20 and name HN) 4.0 2.2 2.0 !T 1.091268 5 ILE/ILE 3.61 3.88e-001 0 0 assign (resid 19 and name HB) (resid 19 and name HD1#) 4.0 2.2 2.0 !ILE ILE 133098.44921875 assign (resid 19 and name HB) (resid 19 and name HG11) 4.0 2.2 2.0 ! 1.059980 5 ILE/ILE 3.03 -3.38e-002 0 0 assign (resid 19 and name HB) (resid 20 and name HG11) 4.0 2.2 2.0 !T 0.905597 5 ILE/ILE 2.29 -2.90e-001 0 0 assign (resid 19 and name HB) (resid 20 and name HN) 4.0 2.2 2.0 ! 1.043798 5 ILE/ILE 2.29 -2.89e-001 0 0 assign (resid 19 and name HG1#) (resid 19 and name HB) 4.0 2.2 2.0 !ILE ILE 123041.6796875 assign (resid 19 and name HG1#) (resid 19 and name HD1#) 4.0 2.2 2.0 !ILE ILE 124439.62109375 assign (resid 19 and name HG1#) (resid 21 and name HE#) 4.0 2.2 2.0 !ILE TYR 123391.18359375 assign (resid 19 and name HN) (resid 18 and name HG1) 4.0 2.2 2.0 !ILE PRO 65723.833984375 assign (resid 19 and name HN) (resid 19 and name HA) 4.0 2.2 2.0 !ILE ILE 65145.9453125 assign (resid 19 and name HN) (resid 19 and name HA) 4.0 2.2 2.0 !T 1.084570 5 ILE/ILE 2.92 -9.19e-001 0 0 assign (resid 19 and name HN) (resid 19 and name HB) 4.0 2.2 2.0 !ILE ILE 65412.91015625 assign (resid 19 and name HN) (resid 19 and name HD1#) 4.0 2.2 2.0 !ILE ILE 65879.449462891 assign (resid 19 and name HN) (resid 19 and name HG1#) 4.0 2.2 2.0 !ILE ILE 65408.869140625 assign (resid 19 and name HN) (resid 20 and name HN) 4.0 2.2 2.0 !T 1.099973 5 ILE/ILE 3.00 -4.59e-003 0 0 assign (resid 19 and name HN) (resid 21 and name HD#) 4.0 2.2 2.0 !B 0.981575 1 ILE/TYR 5.38 -1.38e+000 0 0 assign (resid 19 and name HN) (resid 21 and name HN) 4.0 2.2 2.0 ! 1.014143 5 ILE/TYR 3.68 3.23e-001 0 0 assign (resid 1 and name HA) (resid 1 and name HB) 4.0 2.2 2.0 ! 0.970775 5 THR/THR 3.02 -2.42e-002 0 0 assign (resid 1 and name HA) (resid 1 and name HG2#) 4.0 2.2 2.0 ! 1.004069 2 THR/THR 2.92 8.06e-002 0 0 assign (resid 1 and name HA) (resid 2 and name HN) 4.0 2.2 2.0 !THR VAL 101170.36328125 assign (resid 1 and name HA) (resid 2 and name HN) 4.0 2.2 2.0 ! 1.017496 5 THR/VAL 2.48 -4.78e-001 0 0 assign (resid 1 and name HA) (resid 3 and name HB1) 4.0 2.2 2.0 !T 1.068896 5 THR/PHE 5.78 -1.78e+000 0 0 assign (resid 1 and name HA) (resid 3 and name HB2) 4.0 2.2 2.0 ! 1.056054 5 THR/PHE 6.26 -2.26e+000 0 0 assign (resid 1 and name HA) (resid 3 and name HD#) 4.0 2.2 2.0 !TB 1.082726 1 THR/PHE 8.12 -4.12e+000 0 0 assign (resid 1 and name HA) (resid 3 and name HN) 4.0 2.2 2.0 !T 1.099757 5 THR/PHE 4.18 -1.18e+000 0 0 assign (resid 1 and name HA) (resid 3 and name HN) 4.0 2.2 2.0 !THR PHE 101451.7109375 assign (resid 1 and name HA) (resid 4 and name HN) 4.0 2.2 2.0 !T 1.095903 5 THR/ALA 5.04 -1.04e+000 0 0 assign (resid 1 and name HB) (resid 1 and name HG2#) 4.0 2.2 2.0 !F 1.000000 2 THR/THR 2.82 1.83e-001 0 0 assign (resid 1 and name HB) (resid 2 and name HN) 4.0 2.2 2.0 !THR VAL 100869.2421875 assign (resid 1 and name HB) (resid 4 and name HB#) 4.0 2.2 2.0 ! 0.968850 2 THR/ALA 4.61 -6.13e-001 0 0 assign (resid 1 and name HG2#) (resid 1 and name HA) 4.0 2.2 2.0 !THR THR 71321.478759766 assign (resid 1 and name HG2#) (resid 1 and name HB) 4.0 2.2 2.0 !THR THR 70356.96484375 assign (resid 1 and name HG2#) (resid 2 and name HA) 4.0 2.2 2.0 ! 1.023084 2 THR/VAL 5.11 -1.11e+000 0 0 assign (resid 1 and name HG2#) (resid 2 and name HN) 4.0 2.2 2.0 !THR VAL 72071.109375 assign (resid 1 and name HG2#) (resid 2 and name HN) 4.0 2.2 2.0 !T 0.903727 2 THR/VAL 2.45 1.55e+000 0 0 assign (resid 1 and name HG2#) (resid 3 and name HA) 4.0 2.2 2.0 ! 1.035732 2 THR/PHE 5.99 -1.99e+000 0 0 assign (resid 1 and name HG2#) (resid 3 and name HD#) 4.0 2.2 2.0 !BISPAC 1.000000 2 THR/PHE 7.37 -3.37e+000 0 0 assign (resid 1 and name HG2#) (resid 3 and name HN) 4.0 2.2 2.0 !THR PHE 72179.54296875 assign (resid 1 and name HG2#) (resid 3 and name HN) 4.0 2.2 2.0 !T 0.903076 2 THR/PHE 3.10 9.03e-001 0 0 assign (resid 1 and name HG2#) (resid 4 and name HB#) 4.0 2.2 2.0 !TISPA 1.000000 2 THR/ALA 7.11 -4.11e+000 0 0 assign (resid 1 and name HG2#) (resid 4 and name HN) 4.0 2.2 2.0 ! 0.959483 2 THR/ALA 5.19 -1.19e+000 0 0 assign (resid 20 and name HA) (resid 20 and name HB) 4.0 2.2 2.0 !ILE ILE 31286.024414063 assign (resid 20 and name HA) (resid 20 and name HD1#) 4.0 2.2 2.0 !ILE ILE 31269.555664063 assign (resid 20 and name HA) (resid 21 and name HN) 4.0 2.2 2.0 !ILE TYR 31218.134399414 assign (resid 20 and name HB) (resid 21 and name HB1) 4.0 2.2 2.0 !TBISPA 1.000000 5 ILE/TYR 6.57 -2.57e+000 0 2 assign (resid 20 and name HB) (resid 21 and name HB2) 4.0 2.2 2.0 !TBISPA 1.000000 5 ILE/TYR 6.30 -2.30e+000 0 2 assign (resid 20 and name HD1#) (resid 20 and name HB) 4.0 2.2 2.0 !ILE ILE 133823.0859375 assign (resid 20 and name HD1#) (resid 21 and name HN) 4.0 2.2 2.0 ! 0.985582 2 ILE/TYR 3.04 -3.98e-002 0 0 assign (resid 20 and name HG11) (resid 21 and name HN) 4.0 2.2 2.0 ! 0.939413 5 ILE/TYR 3.66 3.36e-001 0 0 assign (resid 20 and name HG1#) (resid 20 and name HA) 4.0 2.2 2.0 !ILE ILE 27918.835449219 assign (resid 20 and name HG1#) (resid 20 and name HB) 4.0 2.2 2.0 !ILE ILE 28038.039550781 assign (resid 20 and name HG1#) (resid 20 and name HD1#) 4.0 2.2 2.0 !ILE ILE 28008.9296875 assign (resid 20 and name HN) (resid 16 and name HA) 4.0 2.2 2.0 !ILE VAL 25304.099609375 assign (resid 20 and name HN) (resid 17 and name HA) 4.0 2.2 2.0 !ILE ASN 25322.94921875 assign (resid 20 and name HN) (resid 19 and name HA) 4.0 2.2 2.0 !ILE ILE 25447.655761719 assign (resid 20 and name HN) (resid 19 and name HB) 4.0 2.2 2.0 !ILE ILE 25481.955078125 assign (resid 20 and name HN) (resid 19 and name HD1#) 4.0 2.2 2.0 !ILE ILE 27228.825195313 assign (resid 20 and name HN) (resid 19 and name HN) 4.0 2.2 2.0 !ILE ILE 25097.0546875 assign (resid 20 and name HN) (resid 20 and name HA) 4.0 2.2 2.0 !ILE ILE 23888.900634766 assign (resid 20 and name HN) (resid 20 and name HB) 4.0 2.2 2.0 !ILE ILE 27010.58984375 assign (resid 20 and name HN) (resid 20 and name HD1#) 4.0 2.2 2.0 !ILE ILE 26027.83984375 assign (resid 20 and name HN) (resid 20 and name HG11) 4.0 2.2 2.0 ! 1.024116 5 ILE/ILE 2.33 -3.32e-001 0 0 assign (resid 20 and name HN) (resid 20 and name HG1#) 4.0 2.2 2.0 !ILE ILE 23764.665039063 assign (resid 20 and name HN) (resid 21 and name HA) 4.0 2.2 2.0 ! 1.046468 5 ILE/TYR 4.54 -5.35e-001 0 0 assign (resid 20 and name HN) (resid 21 and name HB1) 4.0 2.2 2.0 !B 1.046245 5 ILE/TYR 5.39 -1.39e+000 0 2 assign (resid 20 and name HN) (resid 21 and name HB2) 4.0 2.2 2.0 !B 1.046245 5 ILE/TYR 4.14 -1.39e-001 0 2 assign (resid 20 and name HN) (resid 21 and name HD#) 4.0 2.2 2.0 !B 0.933554 1 ILE/TYR 4.29 -2.94e-001 0 0 assign (resid 20 and name HN) (resid 21 and name HN) 4.0 2.2 2.0 ! 1.000508 5 ILE/TYR 1.82 1.79e-001 0 0 assign (resid 20 and name HN) (resid 21 and name HN) 4.0 2.2 2.0 !ILE TYR 24618.204589844 assign (resid 20 and name HN) (resid 22 and name HN) 4.0 2.2 2.0 ! 0.955774 5 ILE/ALA 3.67 3.34e-001 0 0 assign (resid 20 and name HN) (resid 22 and name HN) 4.0 2.2 2.0 !ILE ALA 24965.104431152 assign (resid 21 and name HA) (resid 21 and name HD#) 4.0 2.2 2.0 !B 0.930396 1 TYR/TYR 2.54 -5.45e-001 0 0 assign (resid 21 and name HA) (resid 21 and name HE#) 4.0 2.2 2.0 !B 0.915611 1 TYR/TYR 4.98 -9.76e-001 0 0 assign (resid 21 and name HA) (resid 22 and name HN) 4.0 2.2 2.0 !T 1.099615 5 TYR/ALA 3.53 -5.28e-001 0 0 assign (resid 21 and name HA) (resid 26 and name HE1) 4.0 2.2 2.0 !B 1.001338 5 TYR/LYS 6.59 -2.59e+000 0 2 assign (resid 21 and name HA) (resid 26 and name HE2) 4.0 2.2 2.0 !B 1.001338 5 TYR/LYS 5.97 -1.97e+000 0 2 assign (resid 21 and name HA) (resid 26 and name HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 TYR/LYS 7.51 -4.51e+000 0 0 assign (resid 21 and name HA) (resid 26 and name HN) 4.0 2.2 2.0 ! 1.011950 5 TYR/LYS 4.10 -9.66e-002 0 0 assign (resid 21 and name HB1) (resid 21 and name HD#) 4.0 2.2 2.0 !AB 1.031307 1 TYR/TYR 2.98 1.76e-002 2 0 assign (resid 21 and name HB1) (resid 21 and name HE#) 4.0 2.2 2.0 !AB 1.026697 1 TYR/TYR 5.05 -1.05e+000 2 0 assign (resid 21 and name HB1) (resid 26 and name HD2) 4.0 2.2 2.0 !A 1.002281 5 TYR/LYS 6.26 -2.26e+000 2 0 assign (resid 21 and name HB1) (resid 30 and name HD2) 4.0 2.2 2.0 !TA 1.099872 5 TYR/HIS 7.48 -3.48e+000 2 0 assign (resid 21 and name HB2) (resid 21 and name HD#) 4.0 2.2 2.0 !AB 1.031307 1 TYR/TYR 2.58 -5.82e-001 2 0 assign (resid 21 and name HB2) (resid 21 and name HE#) 4.0 2.2 2.0 !AB 1.026697 1 TYR/TYR 4.96 -9.63e-001 2 0 assign (resid 21 and name HB2) (resid 26 and name HD2) 4.0 2.2 2.0 !A 1.002281 5 TYR/LYS 5.73 -1.73e+000 2 0 !assign (resid 21 and name HB2) (resid 29 and name HD2) 4.0 2.2 2.0 !TAISPA 1.000000 5 TYR/ARG 5.42 -2.42e+000 2 0 assign (resid 21 and name HB2) (resid 30 and name HD2) 4.0 2.2 2.0 !TA 1.099872 5 TYR/HIS 7.60 -3.60e+000 2 0 assign (resid 21 and name HB#) (resid 21 and name HA) 4.0 2.2 2.0 !TYR TYR 29396.399414063 assign (resid 21 and name HB#) (resid 21 and name HD#) 4.0 2.2 2.0 !TYR TYR 28985.994628906 assign (resid 21 and name HB#) (resid 21 and name HE#) 4.0 2.2 2.0 !TYR TYR 29321.719726563 assign (resid 21 and name HB#) (resid 21 and name HN) 4.0 2.2 2.0 !TYR TYR 28925.26953125 assign (resid 21 and name HB#) (resid 22 and name HN) 4.0 2.2 2.0 !TYR ALA 28980.270507813 assign (resid 21 and name HB#) (resid 23 and name HN) 4.0 2.2 2.0 !TYR LEU 29232.958984375 !assign (resid 21 and name HB#) (resid 24 and name HA) 4.0 2.2 2.0 !TYR ARG 29834.674804688 assign (resid 21 and name HD#) (resid 19 and name HD1#) 4.0 2.2 2.0 !TYR ILE 91089.97265625 assign (resid 21 and name HD#) (resid 21 and name HA) 4.0 2.2 2.0 !TYR TYR 90400.738769531 assign (resid 21 and name HD#) (resid 21 and name HE#) 4.0 2.2 2.0 !TYR TYR 89327.216796875 assign (resid 21 and name HD#) (resid 21 and name HE#) 4.0 2.2 2.0 !FAB 1.000000 1 TYR/TYR 2.78 2.20e-001 0 0 assign (resid 21 and name HE#) (resid 19 and name HD1#) 4.0 2.2 2.0 !TYR ILE 145248.328125 assign (resid 21 and name HE#) (resid 21 and name HA) 4.0 2.2 2.0 !TYR TYR 144864.71484375 assign (resid 21 and name HE#) (resid 29 and name HA) 4.0 2.2 2.0 !TYR ARG 144229.01269531 assign (resid 21 and name HN) (resid 19 and name HA) 4.0 2.2 2.0 !TYR ILE 52742.370315552 assign (resid 21 and name HN) (resid 19 and name HN) 4.0 2.2 2.0 !TYR ILE 52419.8359375 assign (resid 21 and name HN) (resid 20 and name HB) 4.0 2.2 2.0 !TYR ILE 53818.240234375 assign (resid 21 and name HN) (resid 20 and name HD1#) 4.0 2.2 2.0 !TYR ILE 53153.524230957 assign (resid 21 and name HN) (resid 21 and name HA) 4.0 2.2 2.0 !TYR TYR 53814.143554688 assign (resid 21 and name HN) (resid 21 and name HD#) 4.0 2.2 2.0 !TYR TYR 52706.421875 assign (resid 21 and name HN) (resid 21 and name HE#) 4.0 2.2 2.0 !TYR TYR 53663.98046875 assign (resid 21 and name HN) (resid 23 and name HN) 4.0 2.2 2.0 !TYR LEU 53157.660797119 assign (resid 22 and name HA) (resid 24 and name HN) 4.0 2.2 2.0 !ALA ARG 248632.1328125 !assign (resid 22 and name HB#) (resid 21 and name HD#) 4.0 2.2 2.0 !ALA TYR 13963.835449219 assign (resid 22 and name HB#) (resid 22 and name HA) 4.0 2.2 2.0 !ALA ALA 14100.224609375 assign (resid 22 and name HB#) (resid 22 and name HN) 4.0 2.2 2.0 !ALA ALA 13625.580078125 assign (resid 22 and name HN) (resid 19 and name HA) 4.0 2.2 2.0 !ALA ILE 57971.12890625 assign (resid 22 and name HN) (resid 19 and name HN) 4.0 2.2 2.0 !ALA ILE 57186.19140625 assign (resid 22 and name HN) (resid 20 and name HD1#) 4.0 2.2 2.0 !ALA ILE 58767.716552734 assign (resid 22 and name HN) (resid 21 and name HA) 4.0 2.2 2.0 !ALA TYR 59703.5 assign (resid 22 and name HN) (resid 21 and name HD#) 4.0 2.2 2.0 !ALA TYR 57410.951049805 assign (resid 22 and name HN) (resid 22 and name HA) 4.0 2.2 2.0 !ALA ALA 59754.5 assign (resid 22 and name HN) (resid 23 and name HG) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/LEU 6.59 -2.59e+000 0 0 assign (resid 22 and name HN) (resid 23 and name HN) 4.0 2.2 2.0 !ALA LEU 59358.26953125 assign (resid 22 and name HN) (resid 23 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/LEU 4.38 -1.38e+000 0 0 assign (resid 22 and name HN) (resid 24 and name HN) 4.0 2.2 2.0 !T 1.096352 5 ALA/ARG 4.78 -7.81e-001 0 0 assign (resid 23 and name HA) (resid 23 and name HD1#) 4.0 2.2 2.0 !LEU LEU 156108.1574707 assign (resid 23 and name HA) (resid 23 and name HG) 4.0 2.2 2.0 ! 1.037693 5 LEU/LEU 2.30 -3.01e-001 0 0 assign (resid 23 and name HB1) (resid 23 and name HA) 4.0 2.2 2.0 !LEU LEU 34474.270507813 assign (resid 23 and name HB1) (resid 23 and name HB2) 4.0 2.2 2.0 !LEU LEU 34569.330078125 assign (resid 23 and name HB1) (resid 23 and name HD1#) 4.0 2.2 2.0 !LEU LEU 34860.905273438 assign (resid 23 and name HB1) (resid 23 and name HG) 4.0 2.2 2.0 !LEU LEU 33916.313964844 assign (resid 23 and name HB1) (resid 23 and name HN) 4.0 2.2 2.0 !LEU LEU 34029.67578125 assign (resid 23 and name HB2) (resid 23 and name HA) 4.0 2.2 2.0 !LEU LEU 400427.796875 assign (resid 23 and name HB2) (resid 23 and name HD1#) 4.0 2.2 2.0 !LEU LEU 421070.171875 assign (resid 23 and name HB2) (resid 23 and name HG) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/LEU 3.02 -1.02e+000 0 0 assign (resid 23 and name HD1#) (resid 24 and name HN) 4.0 2.2 2.0 ! 1.005409 2 LEU/ARG 5.04 -1.04e+000 0 0 assign (resid 23 and name HD1#) (resid 24 and name HN) 4.0 2.2 2.0 !LEU ARG 550547.375 assign (resid 23 and name HD2#) (resid 23 and name HA) 4.0 2.2 2.0 !LEU LEU 8515.7501220703 assign (resid 23 and name HD2#) (resid 23 and name HB1) 4.0 2.2 2.0 !LEU LEU 7128.9799804688 assign (resid 23 and name HD2#) (resid 23 and name HB2) 4.0 2.2 2.0 !LEU LEU 8631.75 assign (resid 23 and name HD2#) (resid 23 and name HG) 4.0 2.2 2.0 !LEU LEU 7824.3999023438 assign (resid 23 and name HD2#) (resid 23 and name HN) 4.0 2.2 2.0 !LEU LEU 8018.7099609375 assign (resid 23 and name HD2#) (resid 24 and name HN) 4.0 2.2 2.0 ! 1.083019 2 LEU/ARG 6.46 -2.46e+000 0 0 assign (resid 23 and name HD2#) (resid 24 and name HN) 4.0 2.2 2.0 !LEU ARG 9504.6747741699 assign (resid 23 and name HG) (resid 23 and name HA) 4.0 2.2 2.0 !LEU LEU 78796.165039063 assign (resid 23 and name HG) (resid 23 and name HD1#) 4.0 2.2 2.0 !LEU LEU 79090.152832031 assign (resid 23 and name HG) (resid 23 and name HN) 4.0 2.2 2.0 !LEU LEU 77946.185546875 assign (resid 23 and name HG) (resid 24 and name HN) 4.0 2.2 2.0 !LEU ARG 79190.849609375 assign (resid 23 and name HG) (resid 24 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/ARG 5.14 -1.14e+000 0 0 assign (resid 23 and name HG) (resid 26 and name HG1) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/LYS 5.32 -3.32e+000 0 0 assign (resid 23 and name HG) (resid 26 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/LYS 6.46 -2.46e+000 0 0 assign (resid 23 and name HN) (resid 22 and name HA) 4.0 2.2 2.0 !LEU ALA 135627.703125 assign (resid 23 and name HN) (resid 23 and name HA) 4.0 2.2 2.0 !LEU LEU 134106.265625 assign (resid 23 and name HN) (resid 23 and name HB2) 4.0 2.2 2.0 ! 1.047188 5 LEU/LEU 2.43 -4.29e-001 0 0 assign (resid 23 and name HN) (resid 23 and name HB2) 4.0 2.2 2.0 !LEU LEU 135646.515625 assign (resid 23 and name HN) (resid 23 and name HD1#) 4.0 2.2 2.0 !LEU LEU 136585.1171875 assign (resid 23 and name HN) (resid 23 and name HD1#) 4.0 2.2 2.0 ! 0.930576 2 LEU/LEU 2.37 -3.72e-001 0 0 assign (resid 23 and name HN) (resid 23 and name HD2#) 4.0 2.2 2.0 ! 0.987918 2 LEU/LEU 4.77 -7.73e-001 0 0 assign (resid 23 and name HN) (resid 23 and name HG) 4.0 2.2 2.0 ! 1.061480 5 LEU/LEU 3.33 6.72e-001 0 0 assign (resid 23 and name HN) (resid 24 and name HG2) 4.0 2.2 2.0 !B 1.055434 5 LEU/ARG 5.27 -1.27e+000 0 2 assign (resid 23 and name HN) (resid 24 and name HN) 4.0 2.2 2.0 !LEU ARG 137095.71875 assign (resid 23 and name HN) (resid 24 and name HN) 4.0 2.2 2.0 !T 1.098150 5 LEU/ARG 2.85 1.49e-001 0 0 assign (resid 23 and name HN) (resid 25 and name HN) 4.0 2.2 2.0 !LEU SER 134447.61328125 assign (resid 23 and name HN) (resid 25 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/SER 5.59 -1.59e+000 0 0 assign (resid 23 and name HN) (resid 26 and name HB2) 4.0 2.2 2.0 !B 1.059960 5 LEU/LYS 5.34 -1.34e+000 0 2 assign (resid 23 and name HN) (resid 26 and name HG1) 4.0 2.2 2.0 !T 1.060818 5 LEU/LYS 6.48 -2.48e+000 0 0 assign (resid 23 and name HN) (resid 27 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/ASP 5.84 -1.84e+000 0 0 assign (resid 24 and name HA) (resid 24 and name HG1) 4.0 2.2 2.0 !TB 0.902407 5 ARG/ARG 3.24 7.62e-001 0 2 assign (resid 24 and name HA) (resid 24 and name HG2) 4.0 2.2 2.0 !TB 0.902407 5 ARG/ARG 2.39 6.05e-001 0 2 assign (resid 24 and name HB1) (resid 24 and name HD1) 4.0 2.2 2.0 !AB 0.954388 5 ARG/ARG 2.33 -3.28e-001 2 2 assign (resid 24 and name HB1) (resid 24 and name HD2) 4.0 2.2 2.0 !AB 0.954388 5 ARG/ARG 2.99 1.45e-002 2 2 assign (resid 24 and name HB2) (resid 24 and name HD1) 4.0 2.2 2.0 !AB 0.954388 5 ARG/ARG 3.16 -1.55e-001 2 2 assign (resid 24 and name HB2) (resid 24 and name HD2) 4.0 2.2 2.0 !AB 0.954388 5 ARG/ARG 2.72 2.77e-001 2 2 assign (resid 24 and name HB2) (resid 25 and name HB1) 4.0 2.2 2.0 !A 0.935739 5 ARG/SER 3.91 8.90e-002 2 0 assign (resid 24 and name HB#) (resid 24 and name HA) 4.0 2.2 2.0 !ARG ARG 177098.4140625 assign (resid 24 and name HB#) (resid 24 and name HG#) 4.0 2.2 2.0 !ARG ARG 173958.1875 assign (resid 24 and name HB#) (resid 24 and name HN) 4.0 2.2 2.0 !ARG ARG 175421.9453125 assign (resid 24 and name HD#) (resid 24 and name HA) 4.0 2.2 2.0 !ARG ARG 23294.424804688 assign (resid 24 and name HD#) (resid 24 and name HB#) 4.0 2.2 2.0 !ARG ARG 22982.815429688 assign (resid 24 and name HD#) (resid 24 and name HG#) 4.0 2.2 2.0 !ARG ARG 23040.145507813 assign (resid 24 and name HD#) (resid 24 and name HN) 4.0 2.2 2.0 !ARG ARG 23138.090332031 assign (resid 24 and name HG1) (resid 24 and name HD1) 4.0 2.2 2.0 !AB 0.904639 5 ARG/ARG 3.03 -3.21e-002 2 2 assign (resid 24 and name HG1) (resid 24 and name HD2) 4.0 2.2 2.0 !AB 0.904639 5 ARG/ARG 2.42 -4.20e-001 2 2 assign (resid 24 and name HG1) (resid 25 and name HB1) 4.0 2.2 2.0 !A 0.955393 5 ARG/SER 6.01 -2.01e+000 2 0 assign (resid 24 and name HG2) (resid 24 and name HD1) 4.0 2.2 2.0 !AB 0.904639 5 ARG/ARG 2.52 -5.25e-001 2 2 assign (resid 24 and name HG2) (resid 24 and name HD2) 4.0 2.2 2.0 !AB 0.904639 5 ARG/ARG 3.03 -3.36e-002 2 2 assign (resid 24 and name HG2) (resid 25 and name HB1) 4.0 2.2 2.0 !A 0.955393 5 ARG/SER 6.76 -2.76e+000 2 0 assign (resid 24 and name HG#) (resid 24 and name HA) 4.0 2.2 2.0 !ARG ARG 300557.68554688 assign (resid 24 and name HG#) (resid 24 and name HN) 4.0 2.2 2.0 !ARG ARG 296676.015625 assign (resid 24 and name HN) (resid 24 and name HA) 4.0 2.2 2.0 !ARG ARG 776290.40625 assign (resid 24 and name HN) (resid 24 and name HB1) 4.0 2.2 2.0 !B 1.083263 5 ARG/ARG 3.64 3.61e-001 0 2 assign (resid 24 and name HN) (resid 24 and name HB2) 4.0 2.2 2.0 !B 1.083263 5 ARG/ARG 2.50 -4.98e-001 0 2 assign (resid 24 and name HN) (resid 24 and name HD1) 4.0 2.2 2.0 !B 0.965697 5 ARG/ARG 4.88 -8.78e-001 0 2 assign (resid 24 and name HN) (resid 24 and name HD2) 4.0 2.2 2.0 !B 0.965697 5 ARG/ARG 4.33 -3.31e-001 0 2 assign (resid 24 and name HN) (resid 24 and name HG1) 4.0 2.2 2.0 !B 0.929857 5 ARG/ARG 2.36 -3.58e-001 0 2 assign (resid 24 and name HN) (resid 24 and name HG2) 4.0 2.2 2.0 !B 0.929857 5 ARG/ARG 3.29 -2.95e-001 0 2 assign (resid 24 and name HN) (resid 25 and name HN) 4.0 2.2 2.0 ! 1.050724 5 ARG/SER 2.97 2.85e-002 0 0 assign (resid 24 and name HN) (resid 26 and name HN) 4.0 2.2 2.0 ! 1.049949 5 ARG/LYS 3.48 5.21e-001 0 0 assign (resid 24 and name HN) (resid 27 and name HN) 4.0 2.2 2.0 ! 1.084644 5 ARG/ASP 4.40 -4.00e-001 0 0 assign (resid 25 and name HA) (resid 25 and name HB1) 4.0 2.2 2.0 ! 1.075885 5 SER/SER 2.97 3.04e-002 0 0 assign (resid 25 and name HA) (resid 25 and name HB2) 4.0 2.2 2.0 ! 1.017994 5 SER/SER 2.32 -3.20e-001 0 0 assign (resid 25 and name HB1) (resid 25 and name HA) 4.0 2.2 2.0 !SER SER 232208.2109375 assign (resid 25 and name HB1) (resid 25 and name HB2) 4.0 2.2 2.0 !SER SER 227884.484375 assign (resid 25 and name HB1) (resid 26 and name HN) 4.0 2.2 2.0 !SER LYS 229983.421875 assign (resid 25 and name HB1) (resid 27 and name HN) 4.0 2.2 2.0 !T 1.098158 5 SER/ASP 5.51 -1.51e+000 0 0 assign (resid 25 and name HB1) (resid 28 and name HB1) 4.0 2.2 2.0 ! 1.091954 5 SER/LEU 6.64 -2.64e+000 0 0 assign (resid 25 and name HB2) (resid 25 and name HA) 4.0 2.2 2.0 !SER SER 260680.7109375 assign (resid 25 and name HB2) (resid 25 and name HB1) 4.0 2.2 2.0 !F 1.000000 5 SER/SER 1.78 2.20e-001 0 0 assign (resid 25 and name HB2) (resid 26 and name HN) 4.0 2.2 2.0 ! 1.020686 5 SER/LYS 4.11 -1.06e-001 0 0 assign (resid 25 and name HB2) (resid 26 and name HN) 4.0 2.2 2.0 !SER LYS 254145.484375 assign (resid 25 and name HB2) (resid 27 and name HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 SER/ASP 7.22 -3.22e+000 0 0 assign (resid 25 and name HB2) (resid 28 and name HB2) 4.0 2.2 2.0 ! 0.988247 5 SER/LEU 4.38 -3.76e-001 0 0 assign (resid 25 and name HB2) (resid 28 and name HG) 4.0 2.2 2.0 ! 1.076903 5 SER/LEU 6.25 -2.25e+000 0 0 assign (resid 25 and name HN) (resid 24 and name HN) 4.0 2.2 2.0 !SER ARG 166704.53125 assign (resid 25 and name HN) (resid 25 and name HA) 4.0 2.2 2.0 !SER SER 169517.796875 assign (resid 25 and name HN) (resid 25 and name HB1) 4.0 2.2 2.0 !SER SER 162114.40234375 assign (resid 25 and name HN) (resid 25 and name HB2) 4.0 2.2 2.0 !SER SER 162675.5703125 assign (resid 25 and name HN) (resid 25 and name HB2) 4.0 2.2 2.0 ! 1.021352 5 SER/SER 2.83 1.72e-001 0 0 assign (resid 25 and name HN) (resid 26 and name HN) 4.0 2.2 2.0 !SER LYS 164461.046875 assign (resid 25 and name HN) (resid 26 and name HN) 4.0 2.2 2.0 !T 1.099460 5 SER/LYS 2.75 -7.53e-001 0 0 assign (resid 26 and name HA) (resid 27 and name HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 LYS/ASP 5.81 -2.81e+000 0 0 assign (resid 26 and name HA) (resid 28 and name HN) 4.0 2.2 2.0 !T 1.092932 5 LYS/LEU 3.83 -8.32e-001 0 0 assign (resid 26 and name HB1) (resid 26 and name HD1) 4.0 2.2 2.0 !A 1.084730 5 LYS/LYS 3.74 2.61e-001 2 0 assign (resid 26 and name HB1) (resid 26 and name HG2) 4.0 2.2 2.0 !A 0.984094 5 LYS/LYS 2.51 -5.06e-001 2 0 assign (resid 26 and name HB1) (resid 27 and name HB1) 4.0 2.2 2.0 !A 1.009144 5 LYS/ASP 4.90 -9.02e-001 2 0 assign (resid 26 and name HB1) (resid 27 and name HN) 4.0 2.2 2.0 !A 1.016267 5 LYS/ASP 2.36 -3.65e-001 2 0 assign (resid 26 and name HB2) (resid 26 and name HD1) 4.0 2.2 2.0 !A 1.084730 5 LYS/LYS 3.23 -2.34e-001 2 0 assign (resid 26 and name HB2) (resid 26 and name HG2) 4.0 2.2 2.0 !A 0.984094 5 LYS/LYS 2.43 -4.26e-001 2 0 assign (resid 26 and name HB2) (resid 27 and name HB1) 4.0 2.2 2.0 !A 1.009144 5 LYS/ASP 6.39 -2.39e+000 2 0 assign (resid 26 and name HB2) (resid 27 and name HN) 4.0 2.2 2.0 !A 1.016267 5 LYS/ASP 3.81 1.93e-001 2 0 assign (resid 26 and name HB#) (resid 26 and name HA) 4.0 2.2 2.0 !LYS LYS 36711.62109375 assign (resid 26 and name HB#) (resid 26 and name HD2) 4.0 2.2 2.0 !LYS LYS 35498.35546875 assign (resid 26 and name HB#) (resid 26 and name HE#) 4.0 2.2 2.0 !LYS LYS 36148.759765625 assign (resid 26 and name HB#) (resid 26 and name HG1) 4.0 2.2 2.0 !LYS LYS 36147.649414063 assign (resid 26 and name HB#) (resid 26 and name HN) 4.0 2.2 2.0 !LYS LYS 36450.209716797 assign (resid 26 and name HD1) (resid 26 and name HA) 4.0 2.2 2.0 !LYS LYS 15056.034667969 assign (resid 26 and name HD1) (resid 26 and name HB#) 4.0 2.2 2.0 !LYS LYS 14242.439941406 assign (resid 26 and name HD1) (resid 26 and name HD2) 4.0 2.2 2.0 !LYS LYS 14254.104736328 assign (resid 26 and name HD1) (resid 26 and name HE#) 4.0 2.2 2.0 !LYS LYS 14516.549804688 assign (resid 26 and name HD1) (resid 26 and name HG1) 4.0 2.2 2.0 !LYS LYS 14294.450195313 assign (resid 26 and name HD1) (resid 26 and name HG2) 4.0 2.2 2.0 !LYS LYS 14198.939941406 assign (resid 26 and name HD1) (resid 26 and name HN) 4.0 2.2 2.0 !LYS LYS 14701.669921875 assign (resid 26 and name HD1) (resid 27 and name HN) 4.0 2.2 2.0 !LYS ASP 14242.250488281 assign (resid 26 and name HD1) (resid 27 and name HN) 4.0 2.2 2.0 !T 1.094794 5 LYS/ASP 4.22 -2.24e-001 0 0 assign (resid 26 and name HD1) (resid 28 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LYS/LEU 4.85 -1.85e+000 0 0 assign (resid 26 and name HD1) (resid 29 and name HB1) 4.0 2.2 2.0 !T 1.098131 5 LYS/ARG 2.34 -3.39e-001 0 0 assign (resid 26 and name HD2) (resid 26 and name HA) 4.0 2.2 2.0 !LYS LYS 45877.418945313 assign (resid 26 and name HD2) (resid 26 and name HG1) 4.0 2.2 2.0 !LYS LYS 44867.036132813 assign (resid 26 and name HD2) (resid 26 and name HN) 4.0 2.2 2.0 !LYS LYS 45784.780273438 assign (resid 26 and name HD2) (resid 29 and name HD1) 4.0 2.2 2.0 ! 1.006277 5 LYS/ARG 5.37 -1.37e+000 0 0 assign (resid 26 and name HE#) (resid 26 and name HA) 4.0 2.2 2.0 !LYS LYS 171309.4921875 assign (resid 26 and name HE#) (resid 26 and name HN) 4.0 2.2 2.0 !LYS LYS 169690.359375 assign (resid 26 and name HG1) (resid 26 and name HA) 4.0 2.2 2.0 !LYS LYS 57114.291015625 assign (resid 26 and name HG1) (resid 26 and name HD1) 4.0 2.2 2.0 !T 0.906645 5 LYS/LYS 2.45 5.45e-001 0 0 assign (resid 26 and name HG1) (resid 26 and name HD2) 4.0 2.2 2.0 ! 1.092861 5 LYS/LYS 2.48 -4.83e-001 0 0 assign (resid 26 and name HG1) (resid 26 and name HE1) 4.0 2.2 2.0 !TBISPA 1.000000 5 LYS/LYS 3.61 3.95e-001 0 2 assign (resid 26 and name HG1) (resid 26 and name HE2) 4.0 2.2 2.0 !TBISPA 1.000000 5 LYS/LYS 3.93 7.31e-002 0 2 assign (resid 26 and name HG1) (resid 26 and name HN) 4.0 2.2 2.0 !LYS LYS 56953.400390625 assign (resid 26 and name HG1) (resid 29 and name HB2) 4.0 2.2 2.0 ! 1.072406 5 LYS/ARG 5.52 -1.52e+000 0 0 assign (resid 26 and name HG1) (resid 30 and name HD2) 4.0 2.2 2.0 !LYS HIS 56708.886230469 assign (resid 26 and name HG2) (resid 17 and name HD21) 4.0 2.2 2.0 !LYS ASN 19550.635742188 assign (resid 26 and name HG2) (resid 26 and name HA) 4.0 2.2 2.0 !LYS LYS 19690.794921875 assign (resid 26 and name HG2) (resid 26 and name HB#) 4.0 2.2 2.0 !LYS LYS 19630.179199219 assign (resid 26 and name HG2) (resid 26 and name HD1) 4.0 2.2 2.0 !TISPA 1.000000 5 LYS/LYS 3.03 -1.03e+000 0 0 assign (resid 26 and name HG2) (resid 26 and name HE#) 4.0 2.2 2.0 !LYS LYS 19648.719970703 !assign (resid 26 and name HG2) (resid 27 and name HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 LYS/ASP 6.51 -2.51e+000 0 0 assign (resid 26 and name HG2) (resid 29 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 LYS/ARG 6.10 -2.10e+000 0 0 assign (resid 26 and name HG2) (resid 29 and name HD2) 4.0 2.2 2.0 ! 1.048789 5 LYS/ARG 5.62 -1.62e+000 0 0 assign (resid 26 and name HG2) (resid 30 and name HD2) 4.0 2.2 2.0 ! 1.086869 5 LYS/HIS 5.57 -1.57e+000 0 0 assign (resid 26 and name HN) (resid 24 and name HN) 4.0 2.2 2.0 !LYS ARG 306129.90625 assign (resid 26 and name HN) (resid 26 and name HA) 4.0 2.2 2.0 !LYS LYS 305136.34375 assign (resid 26 and name HN) (resid 26 and name HD1) 4.0 2.2 2.0 !T 1.099024 5 LYS/LYS 4.72 -7.24e-001 0 0 assign (resid 26 and name HN) (resid 27 and name HA) 4.0 2.2 2.0 !T 1.096696 5 LYS/ASP 5.50 -1.50e+000 0 0 assign (resid 26 and name HN) (resid 27 and name HB1) 4.0 2.2 2.0 !T 1.096930 5 LYS/ASP 4.98 -9.81e-001 0 0 assign (resid 26 and name HN) (resid 27 and name HN) 4.0 2.2 2.0 !T 1.098688 5 LYS/ASP 2.93 7.15e-002 0 0 assign (resid 26 and name HN) (resid 28 and name HN) 4.0 2.2 2.0 !T 1.087958 5 LYS/LEU 3.84 1.64e-001 0 0 assign (resid 27 and name HA) (resid 27 and name HB1) 4.0 2.2 2.0 ! 1.013686 5 ASP/ASP 3.04 -3.57e-002 0 0 assign (resid 27 and name HA) (resid 27 and name HB2) 4.0 2.2 2.0 ! 1.004106 5 ASP/ASP 2.47 -4.65e-001 0 0 assign (resid 27 and name HA) (resid 28 and name HB2) 4.0 2.2 2.0 !T 1.091742 5 ASP/LEU 5.75 -1.75e+000 0 0 assign (resid 27 and name HA) (resid 28 and name HN) 4.0 2.2 2.0 !T 1.098588 5 ASP/LEU 3.49 5.13e-001 0 0 assign (resid 27 and name HA) (resid 30 and name HD2) 4.0 2.2 2.0 !T 1.091797 5 ASP/HIS 5.14 -1.14e+000 0 0 assign (resid 27 and name HB1) (resid 27 and name HA) 4.0 2.2 2.0 !ASP ASP 4780.4348602295 assign (resid 27 and name HB1) (resid 27 and name HB2) 4.0 2.2 2.0 !ASP ASP 6071.8950195313 assign (resid 27 and name HB1) (resid 27 and name HN) 4.0 2.2 2.0 !ASP ASP 4952.5498046875 assign (resid 27 and name HB1) (resid 28 and name HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 ASP/LEU 5.85 -1.85e+000 0 0 assign (resid 27 and name HB1) (resid 28 and name HB2) 4.0 2.2 2.0 ! 1.012378 5 ASP/LEU 4.78 -7.81e-001 0 0 assign (resid 27 and name HB1) (resid 28 and name HN) 4.0 2.2 2.0 ! 1.045651 5 ASP/LEU 2.97 3.33e-002 0 0 assign (resid 27 and name HB1) (resid 28 and name HN) 4.0 2.2 2.0 !ASP LEU 5771.759765625 assign (resid 27 and name HB1) (resid 30 and name HD2) 4.0 2.2 2.0 !T 1.096941 5 ASP/HIS 7.74 -3.74e+000 0 0 assign (resid 27 and name HB2) (resid 27 and name HA) 4.0 2.2 2.0 !ASP ASP 461125.03125 assign (resid 27 and name HB2) (resid 28 and name HB2) 4.0 2.2 2.0 !T 1.072484 5 ASP/LEU 6.24 -2.24e+000 0 0 assign (resid 27 and name HB2) (resid 28 and name HN) 4.0 2.2 2.0 ! 1.039670 5 ASP/LEU 4.10 -9.82e-002 0 0 assign (resid 27 and name HB2) (resid 30 and name HD2) 4.0 2.2 2.0 !T 1.082490 5 ASP/HIS 7.47 -3.47e+000 0 0 !assign (resid 27 and name HN) (resid 12 and name HD#) 4.0 2.2 2.0 !ASP LEU 20794.2109375 assign (resid 27 and name HN) (resid 26 and name HA) 4.0 2.2 2.0 !ASP LYS 21284.935913086 assign (resid 27 and name HN) (resid 26 and name HB#) 4.0 2.2 2.0 !ASP LYS 20705.155273438 assign (resid 27 and name HN) (resid 26 and name HD2) 4.0 2.2 2.0 !ASP LYS 21023.323730469 assign (resid 27 and name HN) (resid 26 and name HN) 4.0 2.2 2.0 !ASP LYS 21242.3359375 assign (resid 27 and name HN) (resid 27 and name HA) 4.0 2.2 2.0 ! 1.086372 5 ASP/ASP 2.80 1.97e-001 0 0 assign (resid 27 and name HN) (resid 27 and name HA) 4.0 2.2 2.0 !ASP ASP 19707.100097656 assign (resid 27 and name HN) (resid 27 and name HB1) 4.0 2.2 2.0 ! 1.026164 5 ASP/ASP 2.60 -5.95e-001 0 0 assign (resid 27 and name HN) (resid 27 and name HB2) 4.0 2.2 2.0 !ASP ASP 21348.315429688 assign (resid 27 and name HN) (resid 28 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ASP/LEU 4.90 -1.90e+000 0 0 assign (resid 27 and name HN) (resid 28 and name HN) 4.0 2.2 2.0 !ASP LEU 21209.856079102 assign (resid 27 and name HN) (resid 30 and name HD2) 4.0 2.2 2.0 !TISPA 1.000000 5 ASP/HIS 6.35 -2.35e+000 0 0 assign (resid 28 and name HA) (resid 32 and name HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/PHE 4.79 -1.79e+000 0 0 assign (resid 28 and name HA) (resid 32 and name HB2) 4.0 2.2 2.0 ! 1.045944 5 LEU/PHE 4.00 1.09e-003 0 0 assign (resid 28 and name HA) (resid 36 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/PHE 7.92 -4.92e+000 0 0 assign (resid 28 and name HB1) (resid 28 and name HA) 4.0 2.2 2.0 !LEU LEU 68112.291503906 assign (resid 28 and name HB1) (resid 28 and name HB2) 4.0 2.2 2.0 !LEU LEU 66410.0390625 assign (resid 28 and name HB1) (resid 28 and name HD#) 4.0 2.2 2.0 !LEU LEU 66549.49609375 assign (resid 28 and name HB1) (resid 28 and name HG) 4.0 2.2 2.0 !LEU LEU 66604.603515625 assign (resid 28 and name HB1) (resid 29 and name HN) 4.0 2.2 2.0 !LEU ARG 66219.579711914 assign (resid 28 and name HB2) (resid 28 and name HA) 4.0 2.2 2.0 !LEU LEU 112453.54638672 assign (resid 28 and name HB2) (resid 28 and name HD#) 4.0 2.2 2.0 !LEU LEU 110563.171875 assign (resid 28 and name HB2) (resid 28 and name HG) 4.0 2.2 2.0 !LEU LEU 111709.15380859 assign (resid 28 and name HD#) (resid 28 and name HA) 4.0 2.2 2.0 !LEU LEU 250730.625 assign (resid 28 and name HD#) (resid 28 and name HG) 4.0 2.2 2.0 !LEU LEU 250601.9296875 assign (resid 28 and name HD#) (resid 32 and name HB2) 4.0 2.2 2.0 ! 1.061995 2 LEU/PHE 6.52 -2.52e+000 0 0 assign (resid 28 and name HD#) (resid 32 and name HD#) 4.0 2.2 2.0 !TB 1.097845 2 LEU/PHE 8.57 -4.57e+000 0 0 assign (resid 28 and name HD#) (resid 32 and name HN) 4.0 2.2 2.0 !T 1.094087 2 LEU/PHE 7.79 -3.79e+000 0 0 assign (resid 28 and name HG) (resid 28 and name HA) 4.0 2.2 2.0 !LEU LEU 252228.4921875 assign (resid 28 and name HN) (resid 26 and name HA) 4.0 2.2 2.0 !LEU LYS 50037.03515625 assign (resid 28 and name HN) (resid 27 and name HA) 4.0 2.2 2.0 !LEU ASP 48304.786132813 assign (resid 28 and name HN) (resid 27 and name HB2) 4.0 2.2 2.0 !LEU ASP 50222.44921875 assign (resid 28 and name HN) (resid 28 and name HA) 4.0 2.2 2.0 !LEU LEU 50083.60546875 assign (resid 28 and name HN) (resid 28 and name HA) 4.0 2.2 2.0 !T 1.097778 5 LEU/LEU 2.95 4.91e-002 0 0 assign (resid 28 and name HN) (resid 28 and name HB1) 4.0 2.2 2.0 !LEU LEU 48395.6796875 assign (resid 28 and name HN) (resid 28 and name HB2) 4.0 2.2 2.0 ! 1.037468 5 LEU/LEU 2.35 -3.45e-001 0 0 assign (resid 28 and name HN) (resid 28 and name HB2) 4.0 2.2 2.0 !LEU LEU 48804.386230469 assign (resid 28 and name HN) (resid 28 and name HD#) 4.0 2.2 2.0 ! 0.992887 2 LEU/LEU 4.25 -2.46e-001 0 0 assign (resid 28 and name HN) (resid 28 and name HD#) 4.0 2.2 2.0 !LEU LEU 49220.5 assign (resid 28 and name HN) (resid 28 and name HG) 4.0 2.2 2.0 !LEU LEU 49861.100585938 assign (resid 28 and name HN) (resid 29 and name HB1) 4.0 2.2 2.0 ! 1.032977 5 LEU/ARG 4.51 -5.06e-001 0 0 assign (resid 28 and name HN) (resid 29 and name HN) 4.0 2.2 2.0 ! 1.017173 5 LEU/ARG 2.27 -2.71e-001 0 0 assign (resid 28 and name HN) (resid 29 and name HN) 4.0 2.2 2.0 !LEU ARG 48617.763671875 assign (resid 28 and name HN) (resid 32 and name HB2) 4.0 2.2 2.0 !T 1.067714 5 LEU/PHE 6.12 -2.12e+000 0 0 assign (resid 28 and name HN) (resid 32 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 LEU/PHE 5.81 -1.81e+000 0 0 assign (resid 29 and name HA) (resid 29 and name HD2) 4.0 2.2 2.0 !ARG ARG 84933.65234375 assign (resid 29 and name HA) (resid 30 and name HN) 4.0 2.2 2.0 !ARG HIS 84789.21875 assign (resid 29 and name HA) (resid 32 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/PHE 4.18 -1.18e+000 0 0 assign (resid 29 and name HA) (resid 33 and name HN) 4.0 2.2 2.0 !ARG ARG 84823.65234375 assign (resid 29 and name HB1) (resid 29 and name HA) 4.0 2.2 2.0 !ARG ARG 69892.099609375 assign (resid 29 and name HB1) (resid 29 and name HD1) 4.0 2.2 2.0 ! 0.913315 5 ARG/ARG 3.70 2.96e-001 0 0 assign (resid 29 and name HB1) (resid 29 and name HD2) 4.0 2.2 2.0 !ARG ARG 70246.628662109 assign (resid 29 and name HB1) (resid 29 and name HG1) 4.0 2.2 2.0 !B 1.044102 5 ARG/ARG 3.02 -1.89e-002 0 2 assign (resid 29 and name HB1) (resid 29 and name HG2) 4.0 2.2 2.0 !B 1.044102 5 ARG/ARG 2.36 -3.62e-001 0 2 assign (resid 29 and name HB1) (resid 29 and name HG#) 4.0 2.2 2.0 !ARG ARG 70246.58984375 assign (resid 29 and name HB1) (resid 29 and name HN) 4.0 2.2 2.0 !ARG ARG 69296.921875 assign (resid 29 and name HB1) (resid 30 and name HD2) 4.0 2.2 2.0 ! 0.910455 5 ARG/HIS 2.39 -3.88e-001 0 0 assign (resid 29 and name HB1) (resid 30 and name HN) 4.0 2.2 2.0 !ARG HIS 70207.2734375 assign (resid 29 and name HB2) (resid 29 and name HA) 4.0 2.2 2.0 !ARG ARG 12042.845214844 assign (resid 29 and name HB2) (resid 29 and name HB1) 4.0 2.2 2.0 !ARG ARG 11233.150146484 assign (resid 29 and name HB2) (resid 29 and name HD1) 4.0 2.2 2.0 !ARG ARG 11224.900146484 assign (resid 29 and name HB2) (resid 29 and name HD2) 4.0 2.2 2.0 !ARG ARG 12180.059570313 assign (resid 29 and name HB2) (resid 29 and name HD2) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/ARG 2.57 1.43e+000 0 0 assign (resid 29 and name HB2) (resid 29 and name HG#) 4.0 2.2 2.0 !ARG ARG 12145.550292969 assign (resid 29 and name HB2) (resid 29 and name HN) 4.0 2.2 2.0 !ARG ARG 11793.620117188 assign (resid 29 and name HB2) (resid 30 and name HD2) 4.0 2.2 2.0 !ARG HIS 11743.170410156 assign (resid 29 and name HB2) (resid 32 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/PHE 6.45 -3.45e+000 0 0 assign (resid 29 and name HB2) (resid 32 and name HD#) 4.0 2.2 2.0 !TBISPA 1.000000 1 ARG/PHE 7.54 -4.54e+000 0 0 assign (resid 29 and name HB2) (resid 32 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/PHE 6.14 -2.14e+000 0 0 assign (resid 29 and name HD1) (resid 29 and name HA) 4.0 2.2 2.0 !ARG ARG 43572.739257813 assign (resid 29 and name HD1) (resid 29 and name HB1) 4.0 2.2 2.0 !ARG ARG 42661.744140625 assign (resid 29 and name HD1) (resid 29 and name HD2) 4.0 2.2 2.0 !ARG ARG 44042.904296875 assign (resid 29 and name HD1) (resid 29 and name HN) 4.0 2.2 2.0 !ARG ARG 43181.765625 assign (resid 29 and name HD2) (resid 33 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/ARG 7.93 -3.93e+000 0 0 assign (resid 29 and name HG1) (resid 30 and name HA) 4.0 2.2 2.0 !A 1.010777 5 ARG/HIS 4.57 -5.73e-001 2 0 assign (resid 29 and name HG1) (resid 30 and name HB1) 4.0 2.2 2.0 !A 1.051444 5 ARG/HIS 6.70 -2.70e+000 2 0 assign (resid 29 and name HG1) (resid 33 and name HG1) 4.0 2.2 2.0 !TAISPA 1.000000 5 ARG/ARG 5.94 -2.94e+000 2 0 assign (resid 29 and name HG2) (resid 30 and name HB1) 4.0 2.2 2.0 !A 1.051444 5 ARG/HIS 5.36 -1.36e+000 2 0 assign (resid 29 and name HG2) (resid 33 and name HG1) 4.0 2.2 2.0 !TAISPA 1.000000 5 ARG/ARG 5.48 -2.48e+000 2 0 assign (resid 29 and name HG#) (resid 29 and name HA) 4.0 2.2 2.0 !ARG ARG 147782.40625 assign (resid 29 and name HG#) (resid 29 and name HD1) 4.0 2.2 2.0 !ARG ARG 147645.625 assign (resid 29 and name HG#) (resid 29 and name HD2) 4.0 2.2 2.0 !ARG ARG 152860.12890625 assign (resid 29 and name HN) (resid 28 and name HA) 4.0 2.2 2.0 !ARG LEU 80852.866210938 assign (resid 29 and name HN) (resid 28 and name HD#) 4.0 2.2 2.0 !ARG LEU 80835.390625 assign (resid 29 and name HN) (resid 29 and name HA) 4.0 2.2 2.0 !ARG ARG 80760.037109375 assign (resid 29 and name HN) (resid 29 and name HD2) 4.0 2.2 2.0 !ARG ARG 81309.879882813 assign (resid 29 and name HN) (resid 29 and name HG#) 4.0 2.2 2.0 !ARG ARG 80801.955810547 assign (resid 29 and name HN) (resid 30 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/HIS 5.44 -3.44e+000 0 0 assign (resid 29 and name HN) (resid 30 and name HD2) 4.0 2.2 2.0 !T 0.901478 5 ARG/HIS 4.41 -4.13e-001 0 0 assign (resid 29 and name HN) (resid 32 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/PHE 5.25 -2.25e+000 0 0 assign (resid 29 and name HN) (resid 32 and name HD#) 4.0 2.2 2.0 !TB 1.085716 1 ARG/PHE 7.35 -3.35e+000 0 0 assign (resid 29 and name HN) (resid 32 and name HN) 4.0 2.2 2.0 !T 1.085331 5 ARG/PHE 4.76 -7.61e-001 0 0 assign (resid 2 and name HA) (resid 2 and name HB) 4.0 2.2 2.0 ! 1.051313 5 VAL/VAL 3.03 -2.71e-002 0 0 assign (resid 2 and name HA) (resid 2 and name HG1#) 4.0 2.2 2.0 ! 0.990259 2 VAL/VAL 3.03 -2.53e-002 0 0 assign (resid 2 and name HA) (resid 2 and name HG2#) 4.0 2.2 2.0 !VAL VAL 264224.0703125 assign (resid 2 and name HA) (resid 3 and name HN) 4.0 2.2 2.0 !T 1.099449 5 VAL/PHE 3.50 -5.00e-001 0 0 assign (resid 2 and name HA) (resid 3 and name HN) 4.0 2.2 2.0 !VAL PHE 264859.109375 assign (resid 2 and name HA) (resid 5 and name HD#) 4.0 2.2 2.0 !B 0.995285 1 VAL/PHE 4.92 -9.24e-001 0 0 assign (resid 2 and name HA) (resid 5 and name HN) 4.0 2.2 2.0 ! 0.956674 5 VAL/PHE 3.64 3.62e-001 0 0 assign (resid 2 and name HB) (resid 2 and name HA) 4.0 2.2 2.0 !VAL VAL 100104.9453125 assign (resid 2 and name HB) (resid 2 and name HG1#) 4.0 2.2 2.0 !VAL VAL 98732.45703125 assign (resid 2 and name HB) (resid 2 and name HG2#) 4.0 2.2 2.0 !VAL VAL 100160.953125 assign (resid 2 and name HB) (resid 2 and name HN) 4.0 2.2 2.0 !VAL VAL 99847.8359375 assign (resid 2 and name HB) (resid 3 and name HN) 4.0 2.2 2.0 ! 0.999658 5 VAL/PHE 2.85 1.50e-001 0 0 assign (resid 2 and name HB) (resid 3 and name HN) 4.0 2.2 2.0 !VAL PHE 100491.24609375 assign (resid 2 and name HB) (resid 6 and name HB#) 4.0 2.2 2.0 !T 1.099452 2 VAL/ALA 6.12 -2.12e+000 0 0 assign (resid 2 and name HG1#) (resid 2 and name HA) 4.0 2.2 2.0 !VAL VAL 160665.40625 assign (resid 2 and name HG1#) (resid 2 and name HN) 4.0 2.2 2.0 !VAL VAL 159132.9609375 assign (resid 2 and name HG1#) (resid 3 and name HN) 4.0 2.2 2.0 ! 0.972585 2 VAL/PHE 4.76 -7.65e-001 0 0 assign (resid 2 and name HG1#) (resid 3 and name HN) 4.0 2.2 2.0 !VAL PHE 160696.515625 assign (resid 2 and name HG1#) (resid 5 and name HB1) 4.0 2.2 2.0 !B 0.957594 2 VAL/PHE 4.55 -5.47e-001 0 2 assign (resid 2 and name HG1#) (resid 5 and name HB2) 4.0 2.2 2.0 !B 0.957594 2 VAL/PHE 5.57 -1.57e+000 0 2 assign (resid 2 and name HG1#) (resid 5 and name HD#) 4.0 2.2 2.0 !B 1.029580 2 VAL/PHE 6.88 -2.88e+000 0 0 assign (resid 2 and name HG1#) (resid 5 and name HN) 4.0 2.2 2.0 ! 1.051933 2 VAL/PHE 5.95 -1.95e+000 0 0 assign (resid 2 and name HG1#) (resid 6 and name HB#) 4.0 2.2 2.0 ! 0.948539 2 VAL/ALA 4.86 -8.60e-001 0 0 assign (resid 2 and name HG2#) (resid 3 and name HN) 4.0 2.2 2.0 ! 0.970530 2 VAL/PHE 4.63 -6.30e-001 0 0 assign (resid 2 and name HG2#) (resid 3 and name HN) 4.0 2.2 2.0 !VAL PHE 294822.546875 assign (resid 2 and name HG2#) (resid 5 and name HN) 4.0 2.2 2.0 !T 1.097522 2 VAL/PHE 6.49 -2.49e+000 0 0 assign (resid 2 and name HN) (resid 2 and name HA) 4.0 2.2 2.0 !VAL VAL 217814.265625 assign (resid 2 and name HN) (resid 2 and name HB) 4.0 2.2 2.0 ! 1.016781 5 VAL/VAL 2.72 2.76e-001 0 0 assign (resid 2 and name HN) (resid 2 and name HG1#) 4.0 2.2 2.0 ! 1.011463 2 VAL/VAL 4.62 -6.19e-001 0 0 assign (resid 2 and name HN) (resid 2 and name HG2#) 4.0 2.2 2.0 !VAL VAL 218979.828125 assign (resid 2 and name HN) (resid 3 and name HD#) 4.0 2.2 2.0 !BISPAC 1.000000 1 VAL/PHE 7.22 -3.22e+000 0 0 assign (resid 2 and name HN) (resid 3 and name HN) 4.0 2.2 2.0 !VAL PHE 221717.6875 assign (resid 2 and name HN) (resid 3 and name HN) 4.0 2.2 2.0 ! 1.025717 5 VAL/PHE 2.72 2.75e-001 0 0 assign (resid 2 and name HN) (resid 4 and name HN) 4.0 2.2 2.0 ! 1.031892 5 VAL/ALA 4.91 -9.07e-001 0 0 assign (resid 2 and name HN) (resid 5 and name HB1) 4.0 2.2 2.0 !B 0.986277 5 VAL/PHE 5.22 -1.22e+000 0 2 assign (resid 2 and name HN) (resid 5 and name HB2) 4.0 2.2 2.0 !B 0.986277 5 VAL/PHE 4.71 -7.14e-001 0 2 assign (resid 2 and name HN) (resid 5 and name HN) 4.0 2.2 2.0 ! 1.071374 5 VAL/PHE 4.81 -8.11e-001 0 0 assign (resid 2 and name HN) (resid 6 and name HN) 4.0 2.2 2.0 !T 1.095527 5 VAL/ALA 5.85 -1.85e+000 0 0 assign (resid 30 and name HA) (resid 30 and name HB1) 4.0 2.2 2.0 !HIS HIS 31343.080078125 assign (resid 30 and name HA) (resid 30 and name HB2) 4.0 2.2 2.0 !HIS HIS 32013.069580078 assign (resid 30 and name HA) (resid 30 and name HD2) 4.0 2.2 2.0 !HIS HIS 31792.370605469 assign (resid 30 and name HA) (resid 30 and name HD2) 4.0 2.2 2.0 !T 1.098640 5 HIS/HIS 3.59 -5.88e-001 0 0 assign (resid 30 and name HA) (resid 30 and name HN) 4.0 2.2 2.0 !HIS HIS 31943.494140625 assign (resid 30 and name HA) (resid 31 and name HN) 4.0 2.2 2.0 !T 1.097644 5 HIS/ALA 3.59 -5.94e-001 0 0 !assign (resid 30 and name HA) (resid 33 and name HG2) 4.0 2.2 2.0 ! 0.941185 5 HIS/ARG 2.76 2.44e-001 0 0 assign (resid 30 and name HA) (resid 33 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 HIS/ARG 3.52 -1.52e+000 0 0 assign (resid 30 and name HB1) (resid 30 and name HB2) 4.0 2.2 2.0 !HIS HIS 62228.369689941 assign (resid 30 and name HB1) (resid 30 and name HD2) 4.0 2.2 2.0 !HIS HIS 62113.187988281 assign (resid 30 and name HB1) (resid 30 and name HN) 4.0 2.2 2.0 !HIS HIS 62136.1328125 assign (resid 30 and name HB1) (resid 31 and name HB#) 4.0 2.2 2.0 ! 0.975704 2 HIS/ALA 5.62 -1.62e+000 0 0 assign (resid 30 and name HB1) (resid 31 and name HN) 4.0 2.2 2.0 ! 0.949351 5 HIS/ALA 3.20 -2.02e-001 0 0 assign (resid 30 and name HB1) (resid 33 and name HN) 4.0 2.2 2.0 !T 1.033122 5 HIS/ARG 5.62 -1.62e+000 0 0 assign (resid 30 and name HB2) (resid 30 and name HD2) 4.0 2.2 2.0 ! 1.077245 5 HIS/HIS 3.05 -5.19e-002 0 0 assign (resid 30 and name HB2) (resid 31 and name HB#) 4.0 2.2 2.0 ! 1.006431 2 HIS/ALA 5.00 -9.96e-001 0 0 assign (resid 30 and name HB2) (resid 33 and name HB1) 4.0 2.2 2.0 !TBISPA 1.000000 5 HIS/ARG 7.22 -3.22e+000 0 2 assign (resid 30 and name HB2) (resid 33 and name HB2) 4.0 2.2 2.0 !TBISPA 1.000000 5 HIS/ARG 8.11 -4.11e+000 0 2 assign (resid 30 and name HB2) (resid 34 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 HIS/SER 7.44 -3.44e+000 0 0 assign (resid 30 and name HB2) (resid 34 and name HB2) 4.0 2.2 2.0 !T 1.097279 5 HIS/SER 5.37 -1.37e+000 0 0 assign (resid 30 and name HD2) (resid 29 and name HG#) 4.0 2.2 2.0 !HIS ARG 72990.86328125 assign (resid 30 and name HD2) (resid 30 and name HB2) 4.0 2.2 2.0 !HIS HIS 73083.419921875 assign (resid 30 and name HD2) (resid 30 and name HN) 4.0 2.2 2.0 !HIS HIS 72863.955078125 assign (resid 30 and name HN) (resid 27 and name HA) 4.0 2.2 2.0 !HIS ASP 132813.5859375 assign (resid 30 and name HN) (resid 29 and name HG#) 4.0 2.2 2.0 !HIS ARG 132927.125 assign (resid 30 and name HN) (resid 30 and name HA) 4.0 2.2 2.0 !T 1.096514 5 HIS/HIS 2.95 -9.49e-001 0 0 assign (resid 30 and name HN) (resid 30 and name HB2) 4.0 2.2 2.0 !HIS HIS 132959.57421875 assign (resid 30 and name HN) (resid 30 and name HD2) 4.0 2.2 2.0 !T 0.901682 5 HIS/HIS 2.59 4.11e-001 0 0 assign (resid 30 and name HN) (resid 32 and name HN) 4.0 2.2 2.0 ! 1.080750 5 HIS/PHE 3.63 3.72e-001 0 0 assign (resid 31 and name HA) (resid 32 and name HN) 4.0 2.2 2.0 !ALA PHE 91865.5703125 assign (resid 31 and name HA) (resid 32 and name HN) 4.0 2.2 2.0 !T 1.099615 5 ALA/PHE 3.40 -4.00e-001 0 0 assign (resid 31 and name HA) (resid 34 and name HN) 4.0 2.2 2.0 !ALA SER 92357.919433594 assign (resid 31 and name HA) (resid 36 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/PHE 6.51 -2.51e+000 0 0 assign (resid 31 and name HB#) (resid 31 and name HA) 4.0 2.2 2.0 !ALA ALA 21481.874511719 assign (resid 31 and name HB#) (resid 32 and name HB1) 4.0 2.2 2.0 ! 1.030668 2 ALA/PHE 5.92 -1.92e+000 0 0 assign (resid 31 and name HB#) (resid 32 and name HB2) 4.0 2.2 2.0 ! 1.042425 2 ALA/PHE 5.30 -1.30e+000 0 0 assign (resid 31 and name HB#) (resid 32 and name HN) 4.0 2.2 2.0 ! 1.066577 2 ALA/PHE 3.86 1.38e-001 0 0 assign (resid 31 and name HB#) (resid 32 and name HN) 4.0 2.2 2.0 !ALA PHE 21516.065429688 assign (resid 31 and name HB#) (resid 34 and name HB2) 4.0 2.2 2.0 ! 1.020203 2 ALA/SER 6.44 -2.44e+000 0 0 assign (resid 31 and name HB#) (resid 35 and name HB2) 4.0 2.2 2.0 !T 1.089395 2 ALA/MET 4.90 -8.96e-001 0 0 assign (resid 31 and name HB#) (resid 35 and name HG2) 4.0 2.2 2.0 ! 1.025594 2 ALA/MET 6.40 -2.40e+000 0 0 assign (resid 31 and name HN) (resid 27 and name HA) 4.0 2.2 2.0 !ALA ASP 15120.675292969 assign (resid 31 and name HN) (resid 28 and name HA) 4.0 2.2 2.0 !ALA LEU 16676.270263672 assign (resid 31 and name HN) (resid 30 and name HA) 4.0 2.2 2.0 !ALA HIS 15540.159667969 assign (resid 31 and name HN) (resid 30 and name HB1) 4.0 2.2 2.0 !ALA HIS 15832.449707031 assign (resid 31 and name HN) (resid 30 and name HB2) 4.0 2.2 2.0 !ALA HIS 16907.94921875 assign (resid 31 and name HN) (resid 30 and name HN) 4.0 2.2 2.0 !ALA HIS 16045.929962158 assign (resid 31 and name HN) (resid 31 and name HA) 4.0 2.2 2.0 !ALA ALA 16042.724609375 assign (resid 31 and name HN) (resid 31 and name HA) 4.0 2.2 2.0 !T 1.097989 5 ALA/ALA 2.79 2.06e-001 0 0 assign (resid 31 and name HN) (resid 31 and name HB#) 4.0 2.2 2.0 !ALA ALA 15324.259765625 assign (resid 31 and name HN) (resid 32 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/PHE 5.28 -2.28e+000 0 0 !assign (resid 31 and name HN) (resid 32 and name HD#) 4.0 2.2 2.0 !BISPAC 1.000000 1 ALA/PHE 7.28 -3.28e+000 0 0 assign (resid 31 and name HN) (resid 32 and name HN) 4.0 2.2 2.0 !ALA PHE 16421.530273438 assign (resid 31 and name HN) (resid 32 and name HN) 4.0 2.2 2.0 !T 1.098684 5 ALA/PHE 2.79 2.07e-001 0 0 assign (resid 31 and name HN) (resid 33 and name HN) 4.0 2.2 2.0 !ALA ARG 16304.010009766 assign (resid 31 and name HN) (resid 33 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/ARG 5.08 -1.08e+000 0 0 assign (resid 32 and name HA) (resid 32 and name HB1) 4.0 2.2 2.0 !PHE PHE 68154.8984375 assign (resid 32 and name HA) (resid 32 and name HB1) 4.0 2.2 2.0 ! 1.061617 5 PHE/PHE 3.04 -3.55e-002 0 0 assign (resid 32 and name HA) (resid 32 and name HB2) 4.0 2.2 2.0 ! 1.040758 5 PHE/PHE 2.43 -4.27e-001 0 0 assign (resid 32 and name HA) (resid 32 and name HN) 4.0 2.2 2.0 !PHE PHE 68881.849609375 assign (resid 32 and name HA) (resid 33 and name HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/ARG 6.78 -2.78e+000 0 0 assign (resid 32 and name HA) (resid 35 and name HB2) 4.0 2.2 2.0 !T 1.094688 5 PHE/MET 4.26 -1.26e+000 0 0 assign (resid 32 and name HA) (resid 35 and name HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/MET 6.85 -2.85e+000 0 0 assign (resid 32 and name HB1) (resid 32 and name HD#) 4.0 2.2 2.0 !B 0.978498 1 PHE/PHE 2.64 -6.37e-001 0 0 assign (resid 32 and name HB1) (resid 32 and name HN) 4.0 2.2 2.0 !PHE PHE 161530.984375 assign (resid 32 and name HB1) (resid 33 and name HB1) 4.0 2.2 2.0 !B 1.061767 5 PHE/ARG 4.01 -6.07e-003 0 2 assign (resid 32 and name HB1) (resid 33 and name HB2) 4.0 2.2 2.0 !B 1.061767 5 PHE/ARG 5.50 -1.50e+000 0 2 assign (resid 32 and name HB1) (resid 33 and name HG1) 4.0 2.2 2.0 ! 1.087545 5 PHE/ARG 4.53 -5.28e-001 0 0 assign (resid 32 and name HB1) (resid 33 and name HN) 4.0 2.2 2.0 !PHE ARG 160707.109375 assign (resid 32 and name HB1) (resid 33 and name HN) 4.0 2.2 2.0 ! 1.029499 5 PHE/ARG 2.11 -1.09e-001 0 0 !assign (resid 32 and name HB1) (resid 34 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/SER 7.16 -3.16e+000 0 0 assign (resid 32 and name HB1) (resid 34 and name HN) 4.0 2.2 2.0 ! 1.044858 5 PHE/SER 4.32 -3.17e-001 0 0 assign (resid 32 and name HB1) (resid 35 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/MET 6.99 -3.99e+000 0 0 assign (resid 32 and name HB1) (resid 35 and name HN) 4.0 2.2 2.0 !T 1.094559 5 PHE/MET 5.96 -1.96e+000 0 0 assign (resid 32 and name HB1) (resid 36 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/PHE 6.85 -2.85e+000 0 0 assign (resid 32 and name HB2) (resid 32 and name HA) 4.0 2.2 2.0 !PHE PHE 44268.08984375 assign (resid 32 and name HB2) (resid 32 and name HB1) 4.0 2.2 2.0 !PHE PHE 44473.724609375 assign (resid 32 and name HB2) (resid 32 and name HD#) 4.0 2.2 2.0 !B 1.039135 1 PHE/PHE 2.81 1.88e-001 0 0 assign (resid 32 and name HB2) (resid 32 and name HN) 4.0 2.2 2.0 !PHE PHE 44602.9609375 !assign (resid 32 and name HB2) (resid 33 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/ARG 5.60 -2.60e+000 0 0 assign (resid 32 and name HB2) (resid 33 and name HB2) 4.0 2.2 2.0 !TBISPA 1.000000 5 PHE/ARG 7.07 -3.07e+000 0 2 assign (resid 32 and name HB2) (resid 33 and name HG1) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/ARG 6.00 -3.00e+000 0 0 assign (resid 32 and name HB2) (resid 33 and name HN) 4.0 2.2 2.0 ! 0.986688 5 PHE/ARG 3.64 3.65e-001 0 0 assign (resid 32 and name HB2) (resid 33 and name HN) 4.0 2.2 2.0 !PHE ARG 44548.28515625 assign (resid 32 and name HB2) (resid 34 and name HN) 4.0 2.2 2.0 ! 1.082250 5 PHE/SER 5.24 -1.24e+000 0 0 assign (resid 32 and name HB2) (resid 35 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/MET 6.50 -3.50e+000 0 0 assign (resid 32 and name HB2) (resid 36 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/PHE 7.78 -3.78e+000 0 0 assign (resid 32 and name HD#) (resid 32 and name HA) 4.0 2.2 2.0 !PHE PHE 18361.145507813 assign (resid 32 and name HD#) (resid 32 and name HB1) 4.0 2.2 2.0 !PHE PHE 18505.865234375 assign (resid 32 and name HD#) (resid 32 and name HB2) 4.0 2.2 2.0 !PHE PHE 18200.150390625 assign (resid 32 and name HD#) (resid 32 and name HN) 4.0 2.2 2.0 !PHE PHE 18669.299804688 assign (resid 32 and name HD#) (resid 33 and name HG1) 4.0 2.2 2.0 !A 1.070719 1 PHE/ARG 5.32 -1.32e+000 0 0 assign (resid 32 and name HD#) (resid 33 and name HN) 4.0 2.2 2.0 !A 0.939186 1 PHE/ARG 2.83 1.68e-001 0 0 assign (resid 32 and name HD#) (resid 33 and name HN) 4.0 2.2 2.0 !PHE ARG 18614.9453125 assign (resid 32 and name HD#) (resid 34 and name HN) 4.0 2.2 2.0 !A 0.900849 1 PHE/SER 5.40 -1.40e+000 0 0 assign (resid 32 and name HD#) (resid 35 and name HB2) 4.0 2.2 2.0 !TAISPA 1.000000 1 PHE/MET 6.91 -3.91e+000 0 0 assign (resid 32 and name HD#) (resid 36 and name HA) 4.0 2.2 2.0 !TA 1.030749 1 PHE/PHE 6.77 -2.77e+000 0 0 assign (resid 32 and name HD#) (resid 36 and name HB1) 4.0 2.2 2.0 !A 0.966309 1 PHE/PHE 4.13 -1.31e-001 0 0 assign (resid 32 and name HD#) (resid 36 and name HB2) 4.0 2.2 2.0 !A 0.931032 1 PHE/PHE 4.28 -2.80e-001 0 0 assign (resid 32 and name HD#) (resid 36 and name HD#) 4.0 2.2 2.0 !TABISPA 1.000000 1 PHE/PHE 4.67 -2.67e+000 0 0 assign (resid 32 and name HD#) (resid 36 and name HN) 4.0 2.2 2.0 !TA 1.083848 1 PHE/PHE 6.71 -2.71e+000 0 0 assign (resid 32 and name HN) (resid 28 and name HA) 4.0 2.2 2.0 !PHE LEU 239107.546875 assign (resid 32 and name HN) (resid 32 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/PHE 2.95 -9.54e-001 0 0 assign (resid 32 and name HN) (resid 32 and name HB1) 4.0 2.2 2.0 ! 1.023043 5 PHE/PHE 2.42 -4.21e-001 0 0 assign (resid 32 and name HN) (resid 32 and name HB2) 4.0 2.2 2.0 ! 1.088618 5 PHE/PHE 2.86 1.39e-001 0 0 assign (resid 32 and name HN) (resid 32 and name HD#) 4.0 2.2 2.0 !B 1.014527 1 PHE/PHE 4.70 -7.00e-001 0 0 assign (resid 32 and name HN) (resid 33 and name HN) 4.0 2.2 2.0 ! 1.090697 5 PHE/ARG 2.71 2.86e-001 0 0 assign (resid 32 and name HN) (resid 34 and name HN) 4.0 2.2 2.0 ! 1.048087 5 PHE/SER 3.30 7.00e-001 0 0 assign (resid 32 and name HN) (resid 34 and name HN) 4.0 2.2 2.0 !PHE SER 232891.5078125 assign (resid 32 and name HN) (resid 35 and name HB2) 4.0 2.2 2.0 !T 1.063832 5 PHE/MET 5.64 -1.64e+000 0 0 assign (resid 32 and name HN) (resid 35 and name HN) 4.0 2.2 2.0 ! 1.059382 5 PHE/MET 4.50 -4.96e-001 0 0 assign (resid 33 and name HA) (resid 33 and name HB1) 4.0 2.2 2.0 !B 0.987241 5 ARG/ARG 2.56 -5.57e-001 0 2 assign (resid 33 and name HA) (resid 33 and name HB2) 4.0 2.2 2.0 !B 0.987241 5 ARG/ARG 2.38 -3.84e-001 0 2 assign (resid 33 and name HA) (resid 33 and name HN) 4.0 2.2 2.0 !ARG ARG 130872.18359375 assign (resid 33 and name HA) (resid 34 and name HA) 4.0 2.2 2.0 !T 1.087906 5 ARG/SER 4.71 -7.06e-001 0 0 assign (resid 33 and name HA) (resid 34 and name HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/SER 5.68 -1.68e+000 0 0 assign (resid 33 and name HA) (resid 34 and name HN) 4.0 2.2 2.0 !T 1.098740 5 ARG/SER 3.45 -4.45e-001 0 0 assign (resid 33 and name HA) (resid 36 and name HN) 4.0 2.2 2.0 !T 1.092543 5 ARG/PHE 4.34 -3.41e-001 0 0 assign (resid 33 and name HB1) (resid 33 and name HG2) 4.0 2.2 2.0 !A 1.001590 5 ARG/ARG 2.30 -3.03e-001 2 0 assign (resid 33 and name HB1) (resid 34 and name HN) 4.0 2.2 2.0 !A 1.074472 5 ARG/SER 4.07 -6.53e-002 2 0 assign (resid 33 and name HB2) (resid 33 and name HG2) 4.0 2.2 2.0 !A 1.001590 5 ARG/ARG 2.74 2.61e-001 2 0 assign (resid 33 and name HB2) (resid 34 and name HN) 4.0 2.2 2.0 !A 1.074472 5 ARG/SER 4.22 -2.24e-001 2 0 assign (resid 33 and name HB#) (resid 33 and name HA) 4.0 2.2 2.0 !ARG ARG 30105.825378418 assign (resid 33 and name HB#) (resid 33 and name HG1) 4.0 2.2 2.0 !ARG ARG 30170.71484375 assign (resid 33 and name HB#) (resid 33 and name HG2) 4.0 2.2 2.0 !ARG ARG 30069.365478516 assign (resid 33 and name HB#) (resid 33 and name HN) 4.0 2.2 2.0 !ARG ARG 30216.750488281 assign (resid 33 and name HB#) (resid 34 and name HN) 4.0 2.2 2.0 !ARG SER 30316.034851074 assign (resid 33 and name HG1) (resid 33 and name HA) 4.0 2.2 2.0 !ARG ARG 179323.03515625 assign (resid 33 and name HG1) (resid 33 and name HN) 4.0 2.2 2.0 !ARG ARG 180475.140625 assign (resid 33 and name HG1) (resid 34 and name HN) 4.0 2.2 2.0 !ARG SER 182936.0390625 assign (resid 33 and name HG2) (resid 33 and name HA) 4.0 2.2 2.0 !ARG ARG 54313.619140625 assign (resid 33 and name HG2) (resid 33 and name HG1) 4.0 2.2 2.0 !ARG ARG 54574.270751953 assign (resid 33 and name HG2) (resid 33 and name HN) 4.0 2.2 2.0 !ARG ARG 54623.639404297 assign (resid 33 and name HG2) (resid 34 and name HB2) 4.0 2.2 2.0 ! 1.001691 5 ARG/SER 4.97 -9.69e-001 0 0 assign (resid 33 and name HG2) (resid 34 and name HN) 4.0 2.2 2.0 ! 0.954926 5 ARG/SER 4.02 -2.05e-002 0 0 assign (resid 33 and name HG2) (resid 34 and name HN) 4.0 2.2 2.0 !ARG SER 54705.19140625 assign (resid 33 and name HN) (resid 30 and name HA) 4.0 2.2 2.0 !ARG HIS 195750.4921875 assign (resid 33 and name HN) (resid 32 and name HA) 4.0 2.2 2.0 !ARG PHE 197115.8984375 assign (resid 33 and name HN) (resid 32 and name HN) 4.0 2.2 2.0 !ARG PHE 198977.671875 assign (resid 33 and name HN) (resid 33 and name HA) 4.0 2.2 2.0 !T 1.099029 5 ARG/ARG 2.84 -8.42e-001 0 0 assign (resid 33 and name HN) (resid 33 and name HB1) 4.0 2.2 2.0 !B 1.051045 5 ARG/ARG 2.38 -3.81e-001 0 2 assign (resid 33 and name HN) (resid 33 and name HB2) 4.0 2.2 2.0 !B 1.051045 5 ARG/ARG 3.60 3.95e-001 0 2 assign (resid 33 and name HN) (resid 34 and name HB2) 4.0 2.2 2.0 ! 1.034855 5 ARG/SER 5.29 -1.29e+000 0 0 assign (resid 33 and name HN) (resid 34 and name HN) 4.0 2.2 2.0 !ARG SER 200226.5 assign (resid 33 and name HN) (resid 34 and name HN) 4.0 2.2 2.0 !T 1.096877 5 ARG/SER 2.70 -6.97e-001 0 0 assign (resid 33 and name HN) (resid 36 and name HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 ARG/PHE 4.93 -9.26e-001 0 0 assign (resid 33 and name HN) (resid 36 and name HB2) 4.0 2.2 2.0 !T 1.048612 5 ARG/PHE 5.54 -1.54e+000 0 0 assign (resid 34 and name HA) (resid 34 and name HB1) 4.0 2.2 2.0 ! 0.945342 5 SER/SER 3.01 -1.48e-002 0 0 assign (resid 34 and name HA) (resid 34 and name HB2) 4.0 2.2 2.0 ! 0.953853 5 SER/SER 2.37 -3.69e-001 0 0 assign (resid 34 and name HA) (resid 35 and name HB2) 4.0 2.2 2.0 !T 1.098747 5 SER/MET 5.97 -1.97e+000 0 0 assign (resid 34 and name HA) (resid 35 and name HG2) 4.0 2.2 2.0 ! 1.081892 5 SER/MET 5.40 -1.40e+000 0 0 assign (resid 34 and name HA) (resid 36 and name HN) 4.0 2.2 2.0 !T 1.095614 5 SER/PHE 3.92 7.65e-002 0 0 assign (resid 34 and name HB1) (resid 34 and name HA) 4.0 2.2 2.0 !SER SER 102309.00390625 assign (resid 34 and name HB1) (resid 34 and name HN) 4.0 2.2 2.0 !SER SER 102332.56640625 assign (resid 34 and name HB1) (resid 35 and name HB2) 4.0 2.2 2.0 ! 1.035819 5 SER/MET 4.41 -4.14e-001 0 0 assign (resid 34 and name HB1) (resid 35 and name HN) 4.0 2.2 2.0 !SER MET 103944.2734375 assign (resid 34 and name HB2) (resid 34 and name HA) 4.0 2.2 2.0 !SER SER 23339.470214844 assign (resid 34 and name HB2) (resid 34 and name HB1) 4.0 2.2 2.0 !F 1.000000 5 SER/SER 1.78 2.20e-001 0 0 assign (resid 34 and name HB2) (resid 34 and name HB1) 4.0 2.2 2.0 !SER SER 23432.259765625 assign (resid 34 and name HB2) (resid 34 and name HN) 4.0 2.2 2.0 !SER SER 23479.594726563 assign (resid 34 and name HB2) (resid 35 and name HG2) 4.0 2.2 2.0 ! 0.988947 5 SER/MET 5.42 -1.42e+000 0 0 assign (resid 34 and name HB2) (resid 35 and name HN) 4.0 2.2 2.0 !SER MET 23659.065429688 assign (resid 34 and name HN) (resid 33 and name HA) 4.0 2.2 2.0 !SER ARG 327190.9453125 assign (resid 34 and name HN) (resid 34 and name HA) 4.0 2.2 2.0 !SER SER 313152.359375 assign (resid 34 and name HN) (resid 34 and name HA) 4.0 2.2 2.0 !T 1.099323 5 SER/SER 2.92 7.60e-002 0 0 assign (resid 34 and name HN) (resid 34 and name HB1) 4.0 2.2 2.0 ! 0.910039 5 SER/SER 2.30 -3.02e-001 0 0 assign (resid 34 and name HN) (resid 34 and name HB2) 4.0 2.2 2.0 ! 1.009297 5 SER/SER 2.93 6.83e-002 0 0 assign (resid 34 and name HN) (resid 35 and name HB2) 4.0 2.2 2.0 !T 1.098637 5 SER/MET 5.03 -1.03e+000 0 0 assign (resid 34 and name HN) (resid 35 and name HN) 4.0 2.2 2.0 !SER MET 333782.5 assign (resid 34 and name HN) (resid 36 and name HB2) 4.0 2.2 2.0 !T 1.084975 5 SER/PHE 5.11 -1.11e+000 0 0 assign (resid 35 and name HA) (resid 35 and name HB1) 4.0 2.2 2.0 !MET MET 104144.3046875 assign (resid 35 and name HA) (resid 35 and name HB1) 4.0 2.2 2.0 ! 1.021829 5 MET/MET 2.46 -4.56e-001 0 0 assign (resid 35 and name HA) (resid 35 and name HB2) 4.0 2.2 2.0 ! 1.032968 5 MET/MET 3.03 -3.45e-002 0 0 assign (resid 35 and name HA) (resid 35 and name HG1) 4.0 2.2 2.0 !MET MET 104434.296875 assign (resid 35 and name HA) (resid 35 and name HG1) 4.0 2.2 2.0 ! 0.974199 5 MET/MET 3.26 -2.60e-001 0 0 assign (resid 35 and name HA) (resid 35 and name HN) 4.0 2.2 2.0 !MET MET 105017.625 assign (resid 35 and name HA) (resid 36 and name HN) 4.0 2.2 2.0 !MET PHE 104006.60546875 assign (resid 35 and name HA) (resid 36 and name HN) 4.0 2.2 2.0 ! 1.073812 5 MET/PHE 2.83 1.72e-001 0 0 assign (resid 35 and name HA) (resid 37 and name HB1) 4.0 2.2 2.0 !TBISPA 1.000000 5 MET/PRO 5.96 -1.96e+000 0 2 assign (resid 35 and name HB1) (resid 35 and name HG1) 4.0 2.2 2.0 !MET MET 191579.7421875 assign (resid 35 and name HB1) (resid 35 and name HN) 4.0 2.2 2.0 !MET MET 195736.97460938 assign (resid 35 and name HB1) (resid 36 and name HB2) 4.0 2.2 2.0 ! 1.070953 5 MET/PHE 4.63 -6.35e-001 0 0 assign (resid 35 and name HB2) (resid 35 and name HA) 4.0 2.2 2.0 !MET MET 54914.239257813 assign (resid 35 and name HB2) (resid 35 and name HB1) 4.0 2.2 2.0 !MET MET 55752.828125 assign (resid 35 and name HB2) (resid 35 and name HG1) 4.0 2.2 2.0 ! 0.969926 5 MET/MET 2.38 -3.83e-001 0 0 assign (resid 35 and name HB2) (resid 35 and name HG1) 4.0 2.2 2.0 !MET MET 55985.646484375 assign (resid 35 and name HB2) (resid 35 and name HG2) 4.0 2.2 2.0 ! 0.944291 5 MET/MET 3.03 -2.58e-002 0 0 assign (resid 35 and name HB2) (resid 35 and name HG2) 4.0 2.2 2.0 !MET MET 54902.71875 assign (resid 35 and name HB2) (resid 35 and name HN) 4.0 2.2 2.0 !MET MET 56002.74609375 assign (resid 35 and name HB2) (resid 36 and name HD#) 4.0 2.2 2.0 !TB 1.054161 1 MET/PHE 5.54 -1.54e+000 0 0 assign (resid 35 and name HB2) (resid 36 and name HN) 4.0 2.2 2.0 !MET PHE 55549.314941406 assign (resid 35 and name HB2) (resid 36 and name HN) 4.0 2.2 2.0 !T 1.099142 5 MET/PHE 4.24 -2.38e-001 0 0 assign (resid 35 and name HG1) (resid 35 and name HN) 4.0 2.2 2.0 !MET MET 243630.4296875 assign (resid 35 and name HG1) (resid 36 and name HN) 4.0 2.2 2.0 ! 1.024846 5 MET/PHE 5.07 -1.07e+000 0 0 assign (resid 35 and name HG2) (resid 35 and name HA) 4.0 2.2 2.0 !MET MET 73108.03515625 assign (resid 35 and name HG2) (resid 35 and name HB1) 4.0 2.2 2.0 !MET MET 73752.873046875 assign (resid 35 and name HG2) (resid 35 and name HG1) 4.0 2.2 2.0 !MET MET 73897.6171875 assign (resid 35 and name HG2) (resid 35 and name HG1) 4.0 2.2 2.0 !F 1.000000 5 MET/MET 1.78 2.20e-001 0 0 assign (resid 35 and name HG2) (resid 35 and name HN) 4.0 2.2 2.0 !MET MET 74434.078613281 assign (resid 35 and name HN) (resid 31 and name HA) 4.0 2.2 2.0 !MET ALA 361918.296875 assign (resid 35 and name HN) (resid 32 and name HA) 4.0 2.2 2.0 !MET PHE 345616.25 assign (resid 35 and name HN) (resid 34 and name HA) 4.0 2.2 2.0 !MET SER 396875.71875 assign (resid 35 and name HN) (resid 35 and name HG1) 4.0 2.2 2.0 ! 0.959628 5 MET/MET 2.37 -3.69e-001 0 0 assign (resid 35 and name HN) (resid 36 and name HB1) 4.0 2.2 2.0 !T 1.082108 5 MET/PHE 5.09 -1.09e+000 0 0 assign (resid 35 and name HN) (resid 36 and name HB2) 4.0 2.2 2.0 !T 1.096866 5 MET/PHE 4.28 -2.77e-001 0 0 assign (resid 35 and name HN) (resid 36 and name HD#) 4.0 2.2 2.0 !B 1.018476 1 MET/PHE 6.63 -2.63e+000 0 0 assign (resid 35 and name HN) (resid 37 and name HD1) 4.0 2.2 2.0 !T 1.092495 5 MET/PRO 5.25 -1.25e+000 0 0 assign (resid 36 and name HA) (resid 36 and name HB1) 4.0 2.2 2.0 ! 1.050788 5 PHE/PHE 2.98 1.73e-002 0 0 assign (resid 36 and name HA) (resid 36 and name HB2) 4.0 2.2 2.0 ! 1.041467 5 PHE/PHE 2.69 -6.95e-001 0 0 assign (resid 36 and name HA) (resid 36 and name HB2) 4.0 2.2 2.0 !PHE PHE 35020.9296875 assign (resid 36 and name HA) (resid 36 and name HD#) 4.0 2.2 2.0 !B 1.063697 1 PHE/PHE 3.12 -1.24e-001 0 0 assign (resid 36 and name HA) (resid 37 and name HD1) 4.0 2.2 2.0 ! 1.020021 5 PHE/PRO 2.75 2.55e-001 0 0 assign (resid 36 and name HA) (resid 37 and name HD2) 4.0 2.2 2.0 ! 1.004877 5 PHE/PRO 2.32 -3.20e-001 0 0 assign (resid 36 and name HA) (resid 37 and name HG1) 4.0 2.2 2.0 !B 1.028463 5 PHE/PRO 4.77 -7.71e-001 0 2 assign (resid 36 and name HA) (resid 37 and name HG2) 4.0 2.2 2.0 !B 1.028463 5 PHE/PRO 4.54 -5.37e-001 0 2 assign (resid 36 and name HA) (resid 38 and name HN) 4.0 2.2 2.0 ! 1.003729 5 PHE/SER 3.87 1.31e-001 0 0 assign (resid 36 and name HB1) (resid 36 and name HA) 4.0 2.2 2.0 !PHE PHE 845464.15625 assign (resid 36 and name HB1) (resid 36 and name HD#) 4.0 2.2 2.0 !B 0.943992 1 PHE/PHE 3.01 -1.37e-002 0 0 assign (resid 36 and name HB1) (resid 37 and name HD1) 4.0 2.2 2.0 ! 1.048049 5 PHE/PRO 4.81 -8.10e-001 0 0 assign (resid 36 and name HB1) (resid 37 and name HD2) 4.0 2.2 2.0 ! 1.076541 5 PHE/PRO 4.92 -9.24e-001 0 0 assign (resid 36 and name HB1) (resid 37 and name HG2) 4.0 2.2 2.0 !TB 1.083223 5 PHE/PRO 6.70 -2.70e+000 0 2 assign (resid 36 and name HB1) (resid 38 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/SER 5.71 -2.71e+000 0 0 assign (resid 36 and name HB2) (resid 36 and name HB1) 4.0 2.2 2.0 !PHE PHE 131092.1640625 assign (resid 36 and name HB2) (resid 36 and name HB1) 4.0 2.2 2.0 !F 1.000000 5 PHE/PHE 1.78 2.20e-001 0 0 assign (resid 36 and name HB2) (resid 36 and name HD#) 4.0 2.2 2.0 !B 1.010598 1 PHE/PHE 2.60 -6.00e-001 0 0 assign (resid 36 and name HB2) (resid 36 and name HN) 4.0 2.2 2.0 !PHE PHE 130872.18359375 assign (resid 36 and name HB2) (resid 37 and name HD1) 4.0 2.2 2.0 ! 1.002480 5 PHE/PRO 4.72 -7.23e-001 0 0 assign (resid 36 and name HB2) (resid 37 and name HD2) 4.0 2.2 2.0 ! 1.022994 5 PHE/PRO 4.94 -9.38e-001 0 0 assign (resid 36 and name HB2) (resid 38 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/SER 6.50 -2.50e+000 0 0 assign (resid 36 and name HB2) (resid 38 and name HN) 4.0 2.2 2.0 !T 1.078971 5 PHE/SER 6.31 -2.31e+000 0 0 assign (resid 36 and name HD#) (resid 36 and name HA) 4.0 2.2 2.0 !PHE PHE 12213.125244141 assign (resid 36 and name HD#) (resid 36 and name HB1) 4.0 2.2 2.0 !PHE PHE 12966.420410156 assign (resid 36 and name HD#) (resid 36 and name HB2) 4.0 2.2 2.0 !PHE PHE 12857.279541016 assign (resid 36 and name HD#) (resid 37 and name HD1) 4.0 2.2 2.0 !A 1.027863 1 PHE/PRO 5.34 -1.34e+000 0 0 assign (resid 36 and name HD#) (resid 37 and name HD2) 4.0 2.2 2.0 !A 1.043581 1 PHE/PRO 4.47 -4.69e-001 0 0 assign (resid 36 and name HD#) (resid 37 and name HG1) 4.0 2.2 2.0 !AB 1.073017 1 PHE/PRO 6.96 -2.96e+000 0 2 assign (resid 36 and name HD#) (resid 37 and name HG2) 4.0 2.2 2.0 !AB 1.073017 1 PHE/PRO 6.11 -2.11e+000 0 2 assign (resid 36 and name HD#) (resid 38 and name HB2) 4.0 2.2 2.0 !TAISPA 1.000000 1 PHE/SER 3.19 8.09e-001 0 0 assign (resid 36 and name HD#) (resid 38 and name HN) 4.0 2.2 2.0 !A 1.014545 1 PHE/SER 4.33 -3.26e-001 0 0 assign (resid 36 and name HN) (resid 35 and name HB1) 4.0 2.2 2.0 !PHE MET 142532.2265625 assign (resid 36 and name HN) (resid 36 and name HA) 4.0 2.2 2.0 !PHE PHE 142423.4609375 assign (resid 36 and name HN) (resid 36 and name HB1) 4.0 2.2 2.0 ! 1.073741 5 PHE/PHE 3.42 5.82e-001 0 0 assign (resid 36 and name HN) (resid 36 and name HB1) 4.0 2.2 2.0 !PHE PHE 143618.515625 assign (resid 36 and name HN) (resid 36 and name HB2) 4.0 2.2 2.0 !T 1.096054 5 PHE/PHE 3.25 -2.49e-001 0 0 assign (resid 36 and name HN) (resid 36 and name HD#) 4.0 2.2 2.0 !B 1.076957 1 PHE/PHE 5.07 -1.07e+000 0 0 assign (resid 36 and name HN) (resid 36 and name HD#) 4.0 2.2 2.0 !PHE PHE 139597.046875 assign (resid 36 and name HN) (resid 37 and name HD1) 4.0 2.2 2.0 !PHE PRO 142924.69140625 assign (resid 36 and name HN) (resid 37 and name HD1) 4.0 2.2 2.0 !T 0.907411 5 PHE/PRO 2.32 -3.25e-001 0 0 assign (resid 36 and name HN) (resid 37 and name HD2) 4.0 2.2 2.0 ! 0.928904 5 PHE/PRO 3.62 3.80e-001 0 0 assign (resid 37 and name HA) (resid 37 and name HB1) 4.0 2.2 2.0 !B 1.000443 5 PRO/PRO 2.33 -3.31e-001 0 2 assign (resid 37 and name HA) (resid 37 and name HB2) 4.0 2.2 2.0 !B 1.000443 5 PRO/PRO 2.70 2.96e-001 0 2 assign (resid 37 and name HA) (resid 37 and name HD1) 4.0 2.2 2.0 !PRO PRO 154054.25390625 assign (resid 37 and name HA) (resid 37 and name HG#) 4.0 2.2 2.0 !PRO PRO 154308.82226563 assign (resid 37 and name HA) (resid 38 and name HB2) 4.0 2.2 2.0 !T 1.099332 5 PRO/SER 5.12 -1.12e+000 0 0 assign (resid 37 and name HB1) (resid 37 and name HD1) 4.0 2.2 2.0 !A 0.925939 5 PRO/PRO 3.14 -1.41e-001 2 0 assign (resid 37 and name HB1) (resid 37 and name HD2) 4.0 2.2 2.0 !A 0.911209 5 PRO/PRO 3.90 1.01e-001 2 0 assign (resid 37 and name HB1) (resid 37 and name HG1) 4.0 2.2 2.0 !AB 0.952227 5 PRO/PRO 2.31 -3.09e-001 2 2 assign (resid 37 and name HB1) (resid 37 and name HG2) 4.0 2.2 2.0 !AB 0.952227 5 PRO/PRO 2.99 1.49e-002 2 2 assign (resid 37 and name HB1) (resid 38 and name HN) 4.0 2.2 2.0 !A 0.971832 5 PRO/SER 3.97 2.73e-002 2 0 assign (resid 37 and name HB2) (resid 37 and name HD1) 4.0 2.2 2.0 !A 0.925939 5 PRO/PRO 4.03 -2.65e-002 2 0 assign (resid 37 and name HB2) (resid 37 and name HD2) 4.0 2.2 2.0 !A 0.911209 5 PRO/PRO 4.01 -1.14e-002 2 0 assign (resid 37 and name HB2) (resid 37 and name HG1) 4.0 2.2 2.0 !AB 0.952227 5 PRO/PRO 2.68 -6.84e-001 2 2 assign (resid 37 and name HB2) (resid 37 and name HG2) 4.0 2.2 2.0 !AB 0.952227 5 PRO/PRO 2.31 -3.14e-001 2 2 assign (resid 37 and name HB2) (resid 38 and name HN) 4.0 2.2 2.0 !A 0.971832 5 PRO/SER 3.13 -1.26e-001 2 0 assign (resid 37 and name HB#) (resid 37 and name HA) 4.0 2.2 2.0 !PRO PRO 61079.353515625 assign (resid 37 and name HB#) (resid 37 and name HD1) 4.0 2.2 2.0 !PRO PRO 61292.7109375 assign (resid 37 and name HB#) (resid 37 and name HD2) 4.0 2.2 2.0 !PRO PRO 60946.85546875 assign (resid 37 and name HB#) (resid 37 and name HG#) 4.0 2.2 2.0 !PRO PRO 61878.6796875 assign (resid 37 and name HD1) (resid 36 and name HA) 4.0 2.2 2.0 !PRO PHE 282686.84375 assign (resid 37 and name HD1) (resid 37 and name HG#) 4.0 2.2 2.0 !PRO PRO 292698.015625 assign (resid 37 and name HD1) (resid 38 and name HN) 4.0 2.2 2.0 !T 0.915028 5 PRO/SER 3.66 3.39e-001 0 0 assign (resid 37 and name HD2) (resid 36 and name HA) 4.0 2.2 2.0 !PRO PHE 85034.37890625 assign (resid 37 and name HD2) (resid 37 and name HA) 4.0 2.2 2.0 !PRO PRO 85233.8203125 assign (resid 37 and name HD2) (resid 37 and name HD1) 4.0 2.2 2.0 !PRO PRO 85648.64453125 assign (resid 37 and name HD2) (resid 37 and name HD1) 4.0 2.2 2.0 !F 1.000000 5 PRO/PRO 1.78 2.20e-001 0 0 assign (resid 37 and name HD2) (resid 37 and name HG#) 4.0 2.2 2.0 !PRO PRO 86335.296875 assign (resid 37 and name HD2) (resid 38 and name HN) 4.0 2.2 2.0 !T 0.905851 5 PRO/SER 2.32 -3.24e-001 0 0 assign (resid 37 and name HG1) (resid 37 and name HD1) 4.0 2.2 2.0 !A 0.965371 5 PRO/PRO 2.31 -3.14e-001 2 0 assign (resid 37 and name HG1) (resid 37 and name HD2) 4.0 2.2 2.0 !A 0.966474 5 PRO/PRO 2.79 2.07e-001 2 0 assign (resid 37 and name HG1) (resid 38 and name HB2) 4.0 2.2 2.0 !TAISPA 1.000000 5 PRO/SER 6.59 -2.59e+000 2 0 assign (resid 37 and name HG1) (resid 38 and name HN) 4.0 2.2 2.0 !TA 0.902309 5 PRO/SER 3.58 4.24e-001 2 0 assign (resid 37 and name HG1) (resid 39 and name HA) 4.0 2.2 2.0 !TA 1.097820 5 PRO/ALA 6.91 -2.91e+000 2 0 assign (resid 37 and name HG1) (resid 39 and name HB#) 4.0 2.2 2.0 !A 0.954890 2 PRO/ALA 5.96 -1.96e+000 2 0 assign (resid 37 and name HG2) (resid 37 and name HD1) 4.0 2.2 2.0 !A 0.965371 5 PRO/PRO 2.98 1.51e-002 2 0 assign (resid 37 and name HG2) (resid 37 and name HD2) 4.0 2.2 2.0 !A 0.966474 5 PRO/PRO 2.31 -3.12e-001 2 0 assign (resid 37 and name HG2) (resid 38 and name HB2) 4.0 2.2 2.0 !TAISPA 1.000000 5 PRO/SER 5.11 -2.11e+000 2 0 assign (resid 37 and name HG2) (resid 38 and name HN) 4.0 2.2 2.0 !TA 0.902309 5 PRO/SER 2.04 -4.13e-002 2 0 assign (resid 37 and name HG2) (resid 39 and name HA) 4.0 2.2 2.0 !TA 1.097820 5 PRO/ALA 5.77 -1.77e+000 2 0 assign (resid 37 and name HG2) (resid 39 and name HB#) 4.0 2.2 2.0 !A 0.954890 2 PRO/ALA 5.12 -1.12e+000 2 0 assign (resid 38 and name HB1) (resid 38 and name HA) 4.0 2.2 2.0 !SER SER 1414.1449737549 assign (resid 38 and name HB1) (resid 38 and name HB2) 4.0 2.2 2.0 !SER SER 713.60003662109 assign (resid 38 and name HB1) (resid 38 and name HN) 4.0 2.2 2.0 !SER SER 1313.3800048828 assign (resid 38 and name HB2) (resid 38 and name HA) 4.0 2.2 2.0 !SER SER 22972.854492188 assign (resid 38 and name HB2) (resid 38 and name HN) 4.0 2.2 2.0 !SER SER 22679.25 assign (resid 38 and name HB2) (resid 39 and name HA) 4.0 2.2 2.0 !T 1.094877 5 SER/ALA 5.97 -1.97e+000 0 0 assign (resid 38 and name HB2) (resid 39 and name HN) 4.0 2.2 2.0 !T 1.096921 5 SER/ALA 4.62 -6.23e-001 0 0 assign (resid 38 and name HN) (resid 37 and name HB#) 4.0 2.2 2.0 !SER PRO 56246.961425781 assign (resid 38 and name HN) (resid 37 and name HD1) 4.0 2.2 2.0 !SER PRO 56274.69140625 assign (resid 38 and name HN) (resid 38 and name HA) 4.0 2.2 2.0 !SER SER 56695.9609375 assign (resid 38 and name HN) (resid 38 and name HA) 4.0 2.2 2.0 !T 1.082541 5 SER/SER 2.35 -3.52e-001 0 0 assign (resid 38 and name HN) (resid 38 and name HB1) 4.0 2.2 2.0 ! 1.032631 5 SER/SER 3.54 4.65e-001 0 0 assign (resid 38 and name HN) (resid 38 and name HB2) 4.0 2.2 2.0 ! 1.017067 5 SER/SER 3.08 -7.54e-002 0 0 assign (resid 39 and name HA) (resid 39 and name HB#) 4.0 2.2 2.0 !ALA ALA 73106.62121582 assign (resid 39 and name HA) (resid 39 and name HB#) 4.0 2.2 2.0 !T 0.900294 2 ALA/ALA 2.82 1.18e+000 0 0 assign (resid 39 and name HN) (resid 39 and name HA) 4.0 2.2 2.0 !ALA ALA 92411.234375 assign (resid 39 and name HN) (resid 39 and name HB#) 4.0 2.2 2.0 !ALA ALA 92581.984375 assign (resid 3 and name HA) (resid 3 and name HB1) 4.0 2.2 2.0 !PHE PHE 93192.30078125 assign (resid 3 and name HA) (resid 3 and name HB1) 4.0 2.2 2.0 ! 0.991386 5 PHE/PHE 3.03 -2.99e-002 0 0 assign (resid 3 and name HA) (resid 3 and name HB2) 4.0 2.2 2.0 ! 1.012892 5 PHE/PHE 2.53 -5.31e-001 0 0 assign (resid 3 and name HA) (resid 3 and name HD#) 4.0 2.2 2.0 !B 0.989261 1 PHE/PHE 3.06 -6.27e-002 0 0 assign (resid 3 and name HA) (resid 3 and name HN) 4.0 2.2 2.0 !PHE PHE 93246.98828125 assign (resid 3 and name HA) (resid 4 and name HB#) 4.0 2.2 2.0 !T 1.063254 2 PHE/ALA 6.17 -2.17e+000 0 0 assign (resid 3 and name HA) (resid 4 and name HN) 4.0 2.2 2.0 !T 1.099517 5 PHE/ALA 3.59 -5.86e-001 0 0 assign (resid 3 and name HA) (resid 5 and name HB1) 4.0 2.2 2.0 !TB 1.095494 5 PHE/PHE 5.49 -1.49e+000 0 2 assign (resid 3 and name HA) (resid 5 and name HB2) 4.0 2.2 2.0 !TB 1.095494 5 PHE/PHE 5.95 -1.95e+000 0 2 assign (resid 3 and name HA) (resid 5 and name HN) 4.0 2.2 2.0 !T 1.080219 5 PHE/PHE 4.38 -3.83e-001 0 0 assign (resid 3 and name HA) (resid 7 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/SER 7.10 -3.10e+000 0 0 assign (resid 3 and name HB1) (resid 3 and name HD#) 4.0 2.2 2.0 !PHE PHE 145426.83398438 assign (resid 3 and name HB1) (resid 3 and name HD#) 4.0 2.2 2.0 !B 0.941711 1 PHE/PHE 2.66 -6.57e-001 0 0 assign (resid 3 and name HB1) (resid 3 and name HN) 4.0 2.2 2.0 !PHE PHE 145435.27734375 assign (resid 3 and name HB1) (resid 4 and name HB#) 4.0 2.2 2.0 ! 0.956818 2 PHE/ALA 4.54 -5.37e-001 0 0 assign (resid 3 and name HB1) (resid 4 and name HN) 4.0 2.2 2.0 !PHE ALA 145525.69140625 assign (resid 3 and name HB1) (resid 4 and name HN) 4.0 2.2 2.0 ! 0.954713 5 PHE/ALA 2.04 -4.03e-002 0 0 assign (resid 3 and name HB2) (resid 3 and name HA) 4.0 2.2 2.0 !PHE PHE 18773.490234375 assign (resid 3 and name HB2) (resid 3 and name HB1) 4.0 2.2 2.0 !PHE PHE 18816.075195313 assign (resid 3 and name HB2) (resid 3 and name HD#) 4.0 2.2 2.0 !B 0.940690 1 PHE/PHE 2.76 2.36e-001 0 0 assign (resid 3 and name HB2) (resid 3 and name HD#) 4.0 2.2 2.0 !PHE PHE 18847.725585938 assign (resid 3 and name HB2) (resid 3 and name HN) 4.0 2.2 2.0 !PHE PHE 19262.834960938 assign (resid 3 and name HB2) (resid 4 and name HN) 4.0 2.2 2.0 !PHE ALA 19299.400390625 assign (resid 3 and name HB2) (resid 5 and name HN) 4.0 2.2 2.0 ! 1.037273 5 PHE/PHE 5.46 -1.46e+000 0 0 assign (resid 3 and name HB2) (resid 6 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/ALA 5.99 -1.99e+000 0 0 assign (resid 3 and name HB2) (resid 7 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/SER 6.97 -2.97e+000 0 0 assign (resid 3 and name HD#) (resid 3 and name HA) 4.0 2.2 2.0 !PHE PHE 187628.296875 assign (resid 3 and name HD#) (resid 3 and name HN) 4.0 2.2 2.0 !PHE PHE 187635.92675781 assign (resid 3 and name HD#) (resid 4 and name HB#) 4.0 2.2 2.0 !A 0.929621 2 PHE/ALA 5.19 -1.19e+000 0 0 assign (resid 3 and name HD#) (resid 6 and name HB#) 4.0 2.2 2.0 !PHE ALA 191129.234375 assign (resid 3 and name HD#) (resid 6 and name HB#) 4.0 2.2 2.0 !TA 1.095732 2 PHE/ALA 6.74 -2.74e+000 0 0 assign (resid 3 and name HN) (resid 3 and name HA) 4.0 2.2 2.0 !T 1.098158 5 PHE/PHE 2.87 1.26e-001 0 0 assign (resid 3 and name HN) (resid 3 and name HB1) 4.0 2.2 2.0 ! 1.033070 5 PHE/PHE 2.65 -6.49e-001 0 0 assign (resid 3 and name HN) (resid 3 and name HB2) 4.0 2.2 2.0 ! 1.050648 5 PHE/PHE 2.47 -4.65e-001 0 0 assign (resid 3 and name HN) (resid 3 and name HD#) 4.0 2.2 2.0 !B 0.964460 1 PHE/PHE 4.69 -6.93e-001 0 0 assign (resid 3 and name HN) (resid 4 and name HB#) 4.0 2.2 2.0 ! 1.041821 2 PHE/ALA 5.52 -1.52e+000 0 0 assign (resid 3 and name HN) (resid 5 and name HB1) 4.0 2.2 2.0 !B 1.032714 5 PHE/PHE 5.17 -1.17e+000 0 2 assign (resid 3 and name HN) (resid 5 and name HB2) 4.0 2.2 2.0 !B 1.032714 5 PHE/PHE 4.95 -9.55e-001 0 2 assign (resid 3 and name HN) (resid 5 and name HN) 4.0 2.2 2.0 ! 1.082574 5 PHE/PHE 3.84 1.64e-001 0 0 assign (resid 3 and name HN) (resid 6 and name HN) 4.0 2.2 2.0 !T 1.086620 5 PHE/ALA 4.70 -6.97e-001 0 0 assign (resid 4 and name HA) (resid 4 and name HB#) 4.0 2.2 2.0 ! 1.033723 2 ALA/ALA 2.82 1.82e-001 0 0 assign (resid 4 and name HA) (resid 4 and name HN) 4.0 2.2 2.0 !ALA ALA 342054.5625 assign (resid 4 and name HB#) (resid 4 and name HA) 4.0 2.2 2.0 !ALA ALA 147168.890625 assign (resid 4 and name HB#) (resid 4 and name HN) 4.0 2.2 2.0 !ALA ALA 147559.234375 assign (resid 4 and name HB#) (resid 5 and name HA) 4.0 2.2 2.0 ! 1.072870 2 ALA/PHE 4.74 -7.36e-001 0 0 assign (resid 4 and name HB#) (resid 5 and name HB1) 4.0 2.2 2.0 !B 0.987975 2 ALA/PHE 6.17 -2.17e+000 0 2 assign (resid 4 and name HB#) (resid 5 and name HB2) 4.0 2.2 2.0 !B 0.987975 2 ALA/PHE 5.00 -9.97e-001 0 2 assign (resid 4 and name HB#) (resid 5 and name HN) 4.0 2.2 2.0 ! 1.008994 2 ALA/PHE 3.33 6.65e-001 0 0 assign (resid 4 and name HB#) (resid 6 and name HN) 4.0 2.2 2.0 !T 1.095303 2 ALA/ALA 5.94 -1.94e+000 0 0 assign (resid 4 and name HB#) (resid 7 and name HB2) 4.0 2.2 2.0 ! 1.016290 2 ALA/SER 6.08 -2.08e+000 0 0 assign (resid 4 and name HB#) (resid 8 and name HB2) 4.0 2.2 2.0 !T 1.097663 2 ALA/MET 7.45 -3.45e+000 0 0 assign (resid 4 and name HB#) (resid 8 and name HG1) 4.0 2.2 2.0 ! 1.010620 2 ALA/MET 6.17 -2.17e+000 0 0 assign (resid 4 and name HB#) (resid 8 and name HN) 4.0 2.2 2.0 !T 1.094555 2 ALA/MET 6.18 -2.18e+000 0 0 assign (resid 4 and name HN) (resid 1 and name HA) 4.0 2.2 2.0 !ALA THR 549804.25 assign (resid 4 and name HN) (resid 3 and name HA) 4.0 2.2 2.0 !ALA PHE 545541.609375 assign (resid 4 and name HN) (resid 4 and name HB#) 4.0 2.2 2.0 ! 1.033226 2 ALA/ALA 2.91 8.82e-002 0 0 assign (resid 4 and name HN) (resid 5 and name HB1) 4.0 2.2 2.0 !B 1.053813 5 ALA/PHE 5.40 -1.40e+000 0 2 assign (resid 4 and name HN) (resid 5 and name HB2) 4.0 2.2 2.0 !B 1.053813 5 ALA/PHE 4.77 -7.67e-001 0 2 assign (resid 4 and name HN) (resid 5 and name HN) 4.0 2.2 2.0 ! 1.075208 5 ALA/PHE 2.72 2.78e-001 0 0 assign (resid 5 and name HA) (resid 5 and name HD#) 4.0 2.2 2.0 !B 1.009339 1 PHE/PHE 3.34 6.65e-001 0 0 assign (resid 5 and name HA) (resid 6 and name HB#) 4.0 2.2 2.0 !TISPA 1.000000 2 PHE/ALA 6.13 -4.13e+000 0 0 assign (resid 5 and name HA) (resid 7 and name HN) 4.0 2.2 2.0 ! 1.072975 5 PHE/SER 3.55 4.52e-001 0 0 assign (resid 5 and name HA) (resid 8 and name HG1) 4.0 2.2 2.0 ! 1.083509 5 PHE/MET 4.26 -2.62e-001 0 0 assign (resid 5 and name HA) (resid 8 and name HG2) 4.0 2.2 2.0 !T 1.099829 5 PHE/MET 5.73 -1.73e+000 0 0 assign (resid 5 and name HA) (resid 9 and name HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/LEU 7.07 -3.07e+000 0 0 assign (resid 5 and name HB1) (resid 5 and name HD#) 4.0 2.2 2.0 !AB 0.911163 1 PHE/PHE 2.75 2.52e-001 2 0 assign (resid 5 and name HB1) (resid 6 and name HB#) 4.0 2.2 2.0 !A 0.954241 2 PHE/ALA 4.79 -7.91e-001 2 0 assign (resid 5 and name HB1) (resid 6 and name HN) 4.0 2.2 2.0 !A 0.964003 5 PHE/ALA 2.26 -2.55e-001 2 0 assign (resid 5 and name HB1) (resid 9 and name HB1) 4.0 2.2 2.0 !TA 1.098928 5 PHE/LEU 6.97 -2.97e+000 2 0 assign (resid 5 and name HB1) (resid 9 and name HB2) 4.0 2.2 2.0 !A 1.050373 5 PHE/LEU 5.52 -1.52e+000 2 0 assign (resid 5 and name HB2) (resid 5 and name HD#) 4.0 2.2 2.0 !AB 0.911163 1 PHE/PHE 2.67 -6.73e-001 2 0 assign (resid 5 and name HB2) (resid 6 and name HB#) 4.0 2.2 2.0 !A 0.954241 2 PHE/ALA 6.18 -2.18e+000 2 0 assign (resid 5 and name HB2) (resid 6 and name HN) 4.0 2.2 2.0 !A 0.964003 5 PHE/ALA 3.41 5.88e-001 2 0 assign (resid 5 and name HB2) (resid 9 and name HB2) 4.0 2.2 2.0 !A 1.050373 5 PHE/LEU 6.91 -2.91e+000 2 0 assign (resid 5 and name HB#) (resid 5 and name HA) 4.0 2.2 2.0 !PHE PHE 13557.614746094 assign (resid 5 and name HB#) (resid 5 and name HD#) 4.0 2.2 2.0 !PHE PHE 13391.550048828 assign (resid 5 and name HB#) (resid 5 and name HN) 4.0 2.2 2.0 !PHE PHE 13466.159667969 assign (resid 5 and name HB#) (resid 6 and name HN) 4.0 2.2 2.0 !PHE ALA 13008.835327148 assign (resid 5 and name HD#) (resid 5 and name HA) 4.0 2.2 2.0 !PHE PHE 53846.918457031 assign (resid 5 and name HD#) (resid 5 and name HN) 4.0 2.2 2.0 !PHE PHE 53842.622070313 assign (resid 5 and name HD#) (resid 6 and name HN) 4.0 2.2 2.0 !TA 0.900136 1 PHE/ALA 4.16 -1.60e-001 0 0 assign (resid 5 and name HD#) (resid 8 and name HB1) 4.0 2.2 2.0 !TA 1.094493 1 PHE/MET 6.87 -2.87e+000 0 0 assign (resid 5 and name HD#) (resid 9 and name HB1) 4.0 2.2 2.0 !A 1.053380 1 PHE/LEU 6.47 -2.47e+000 0 0 assign (resid 5 and name HD#) (resid 9 and name HD#) 4.0 2.2 2.0 !TA 1.098448 2 PHE/LEU 8.59 -4.59e+000 0 0 assign (resid 5 and name HN) (resid 2 and name HA) 4.0 2.2 2.0 !PHE VAL 116624.42578125 assign (resid 5 and name HN) (resid 4 and name HA) 4.0 2.2 2.0 !PHE ALA 119224.8828125 assign (resid 5 and name HN) (resid 4 and name HB#) 4.0 2.2 2.0 !PHE ALA 116011.84179688 assign (resid 5 and name HN) (resid 4 and name HN) 4.0 2.2 2.0 !PHE ALA 122576.72265625 assign (resid 5 and name HN) (resid 5 and name HA) 4.0 2.2 2.0 !PHE PHE 119808.94335938 assign (resid 5 and name HN) (resid 5 and name HA) 4.0 2.2 2.0 ! 1.098013 5 PHE/PHE 2.86 1.45e-001 0 0 assign (resid 5 and name HN) (resid 5 and name HB1) 4.0 2.2 2.0 !B 1.027464 5 PHE/PHE 2.92 8.22e-002 0 2 assign (resid 5 and name HN) (resid 5 and name HB2) 4.0 2.2 2.0 !B 1.027464 5 PHE/PHE 2.25 -2.50e-001 0 2 assign (resid 5 and name HN) (resid 5 and name HD#) 4.0 2.2 2.0 !B 0.957284 1 PHE/PHE 4.49 -4.94e-001 0 0 assign (resid 5 and name HN) (resid 6 and name HA) 4.0 2.2 2.0 ! 1.074879 5 PHE/ALA 5.45 -1.45e+000 0 0 assign (resid 5 and name HN) (resid 6 and name HN) 4.0 2.2 2.0 ! 1.057229 5 PHE/ALA 2.85 1.47e-001 0 0 assign (resid 5 and name HN) (resid 7 and name HN) 4.0 2.2 2.0 ! 1.044009 5 PHE/SER 3.75 2.52e-001 0 0 assign (resid 5 and name HN) (resid 8 and name HB2) 4.0 2.2 2.0 !T 1.097871 5 PHE/MET 6.40 -2.40e+000 0 0 assign (resid 5 and name HN) (resid 8 and name HN) 4.0 2.2 2.0 !T 1.093872 5 PHE/MET 5.22 -1.22e+000 0 0 assign (resid 5 and name HN) (resid 9 and name HN) 4.0 2.2 2.0 !TISPA 1.000000 5 PHE/LEU 7.08 -3.08e+000 0 0 assign (resid 6 and name HA) (resid 6 and name HB#) 4.0 2.2 2.0 !ALA ALA 115937.96875 assign (resid 6 and name HA) (resid 6 and name HB#) 4.0 2.2 2.0 ! 1.052010 2 ALA/ALA 2.82 1.76e-001 0 0 assign (resid 6 and name HB#) (resid 7 and name HN) 4.0 2.2 2.0 ! 1.047444 2 ALA/SER 3.65 3.53e-001 0 0 assign (resid 6 and name HB#) (resid 8 and name HN) 4.0 2.2 2.0 !T 1.084779 2 ALA/MET 6.04 -2.04e+000 0 0 assign (resid 6 and name HB#) (resid 9 and name HN) 4.0 2.2 2.0 !T 1.098826 2 ALA/LEU 5.57 -1.57e+000 0 0 assign (resid 6 and name HN) (resid 3 and name HA) 4.0 2.2 2.0 !ALA PHE 40412.203369141 assign (resid 6 and name HN) (resid 4 and name HN) 4.0 2.2 2.0 !ALA ALA 41985.551757813 assign (resid 6 and name HN) (resid 5 and name HA) 4.0 2.2 2.0 !ALA PHE 41692.563720703 assign (resid 6 and name HN) (resid 5 and name HN) 4.0 2.2 2.0 !ALA PHE 40890.529296875 assign (resid 6 and name HN) (resid 6 and name HA) 4.0 2.2 2.0 !ALA ALA 40759.669921875 assign (resid 6 and name HN) (resid 6 and name HB#) 4.0 2.2 2.0 !ALA ALA 41486.533203125 assign (resid 6 and name HN) (resid 7 and name HN) 4.0 2.2 2.0 ! 1.075992 5 ALA/SER 2.73 2.73e-001 0 0 assign (resid 6 and name HN) (resid 7 and name HN) 4.0 2.2 2.0 !ALA SER 40372.50390625 assign (resid 6 and name HN) (resid 9 and name HB1) 4.0 2.2 2.0 ! 1.060943 5 ALA/LEU 5.87 -1.87e+000 0 0 assign (resid 6 and name HN) (resid 9 and name HG) 4.0 2.2 2.0 !TISPA 1.000000 5 ALA/LEU 6.43 -2.43e+000 0 0 assign (resid 7 and name HA) (resid 8 and name HA) 4.0 2.2 2.0 !T 1.099074 5 SER/MET 4.69 -6.91e-001 0 0 assign (resid 7 and name HA) (resid 8 and name HG1) 4.0 2.2 2.0 !T 1.098505 5 SER/MET 5.21 -1.21e+000 0 0 assign (resid 7 and name HA) (resid 9 and name HN) 4.0 2.2 2.0 !SER LEU 35448.5859375 assign (resid 7 and name HB1) (resid 11 and name HB1) 4.0 2.2 2.0 !TBISPA 1.000000 5 SER/LEU 8.76 -4.76e+000 0 2 assign (resid 7 and name HB1) (resid 11 and name HB2) 4.0 2.2 2.0 !TBISPA 1.000000 5 SER/LEU 7.19 -3.19e+000 0 2 assign (resid 7 and name HB1) (resid 7 and name HA) 4.0 2.2 2.0 !SER SER 147619.78125 assign (resid 7 and name HB1) (resid 8 and name HN) 4.0 2.2 2.0 ! 0.996836 5 SER/MET 3.45 5.54e-001 0 0 assign (resid 7 and name HB2) (resid 7 and name HA) 4.0 2.2 2.0 !SER SER 22048.260742188 assign (resid 7 and name HB2) (resid 7 and name HB1) 4.0 2.2 2.0 !F 1.000000 5 SER/SER 1.78 2.20e-001 0 0 assign (resid 7 and name HB2) (resid 7 and name HB1) 4.0 2.2 2.0 !SER SER 22339.600097656 assign (resid 7 and name HB2) (resid 7 and name HN) 4.0 2.2 2.0 !SER SER 22293.544921875 assign (resid 7 and name HB2) (resid 8 and name HA) 4.0 2.2 2.0 !T 1.086784 5 SER/MET 4.86 -8.63e-001 0 0 assign (resid 7 and name HB2) (resid 8 and name HB2) 4.0 2.2 2.0 !T 1.095294 5 SER/MET 6.08 -2.08e+000 0 0 assign (resid 7 and name HB2) (resid 9 and name HB2) 4.0 2.2 2.0 !TISPA 1.000000 5 SER/LEU 6.88 -2.88e+000 0 0 assign (resid 7 and name HB2) (resid 9 and name HN) 4.0 2.2 2.0 ! 1.072077 5 SER/LEU 4.93 -9.33e-001 0 0 assign (resid 7 and name HN) (resid 5 and name HA) 4.0 2.2 2.0 !SER PHE 77751.203125 assign (resid 7 and name HN) (resid 6 and name HB#) 4.0 2.2 2.0 !SER ALA 77122.5703125 assign (resid 7 and name HN) (resid 7 and name HA) 4.0 2.2 2.0 !SER SER 76628.93359375 assign (resid 7 and name HN) (resid 7 and name HA) 4.0 2.2 2.0 !T 1.098181 5 SER/SER 2.89 1.13e-001 0 0 assign (resid 7 and name HN) (resid 7 and name HB1) 4.0 2.2 2.0 !SER SER 76826.32421875 assign (resid 7 and name HN) (resid 7 and name HB1) 4.0 2.2 2.0 ! 0.997137 5 SER/SER 2.27 -2.70e-001 0 0 assign (resid 7 and name HN) (resid 7 and name HB2) 4.0 2.2 2.0 ! 0.995076 5 SER/SER 3.57 4.29e-001 0 0 assign (resid 7 and name HN) (resid 8 and name HA) 4.0 2.2 2.0 !T 1.093070 5 SER/MET 5.36 -1.36e+000 0 0 assign (resid 7 and name HN) (resid 8 and name HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 SER/MET 6.32 -2.32e+000 0 0 assign (resid 7 and name HN) (resid 8 and name HN) 4.0 2.2 2.0 !SER MET 76657.439453125 assign (resid 7 and name HN) (resid 8 and name HN) 4.0 2.2 2.0 !T 1.097587 5 SER/MET 2.76 -7.61e-001 0 0 assign (resid 7 and name HN) (resid 9 and name HB1) 4.0 2.2 2.0 ! 1.076100 5 SER/LEU 5.24 -1.24e+000 0 0 assign (resid 8 and name HA) (resid 11 and name HG) 4.0 2.2 2.0 ! 1.084829 5 MET/LEU 5.10 -1.10e+000 0 0 assign (resid 8 and name HA) (resid 12 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/LEU 5.89 -1.89e+000 0 0 assign (resid 8 and name HA) (resid 12 and name HD#) 4.0 2.2 2.0 !TISPA 1.000000 2 MET/LEU 7.33 -4.33e+000 0 0 assign (resid 8 and name HA) (resid 12 and name HN) 4.0 2.2 2.0 ! 1.076145 5 MET/LEU 3.66 3.38e-001 0 0 assign (resid 8 and name HA) (resid 8 and name HB1) 4.0 2.2 2.0 ! 1.083713 5 MET/MET 2.50 -4.95e-001 0 0 assign (resid 8 and name HA) (resid 8 and name HG1) 4.0 2.2 2.0 ! 0.949407 5 MET/MET 2.79 2.09e-001 0 0 assign (resid 8 and name HA) (resid 8 and name HG2) 4.0 2.2 2.0 ! 0.953567 5 MET/MET 2.61 -6.07e-001 0 0 assign (resid 8 and name HA) (resid 9 and name HN) 4.0 2.2 2.0 !T 1.097518 5 MET/LEU 3.08 -7.84e-002 0 0 assign (resid 8 and name HB1) (resid 11 and name HB1) 4.0 2.2 2.0 !B 1.040650 5 MET/LEU 5.36 -1.36e+000 0 2 assign (resid 8 and name HB1) (resid 11 and name HB2) 4.0 2.2 2.0 !B 1.040650 5 MET/LEU 4.26 -2.61e-001 0 2 assign (resid 8 and name HB1) (resid 12 and name HB1) 4.0 2.2 2.0 !TB 1.095649 5 MET/LEU 5.44 -1.44e+000 0 2 assign (resid 8 and name HB1) (resid 12 and name HB2) 4.0 2.2 2.0 !TB 1.095649 5 MET/LEU 4.24 -2.40e-001 0 2 assign (resid 8 and name HB1) (resid 12 and name HG) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/LEU 6.86 -2.86e+000 0 0 assign (resid 8 and name HB1) (resid 12 and name HN) 4.0 2.2 2.0 ! 1.053802 5 MET/LEU 4.41 -4.14e-001 0 0 assign (resid 8 and name HB1) (resid 8 and name HA) 4.0 2.2 2.0 !MET MET 52135.91015625 assign (resid 8 and name HB1) (resid 8 and name HG1) 4.0 2.2 2.0 ! 0.991093 5 MET/MET 3.02 -2.30e-002 0 0 assign (resid 8 and name HB1) (resid 8 and name HG2) 4.0 2.2 2.0 ! 1.008933 5 MET/MET 2.38 -3.83e-001 0 0 assign (resid 8 and name HB1) (resid 8 and name HG2) 4.0 2.2 2.0 !MET MET 51500.984375 assign (resid 8 and name HB1) (resid 8 and name HN) 4.0 2.2 2.0 !MET MET 51758.59765625 assign (resid 8 and name HB1) (resid 9 and name HB1) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/LEU 6.75 -2.75e+000 0 0 assign (resid 8 and name HB1) (resid 9 and name HB2) 4.0 2.2 2.0 !T 1.096820 5 MET/LEU 5.76 -1.76e+000 0 0 assign (resid 8 and name HB1) (resid 9 and name HD#) 4.0 2.2 2.0 !T 1.091528 2 MET/LEU 7.79 -3.79e+000 0 0 assign (resid 8 and name HB2) (resid 8 and name HA) 4.0 2.2 2.0 !MET MET 201121.984375 assign (resid 8 and name HB2) (resid 8 and name HG2) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/MET 3.02 9.80e-001 0 0 assign (resid 8 and name HB2) (resid 9 and name HB2) 4.0 2.2 2.0 !T 1.090308 5 MET/LEU 4.87 -8.69e-001 0 0 assign (resid 8 and name HB2) (resid 9 and name HG) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/LEU 7.15 -3.15e+000 0 0 assign (resid 8 and name HB2) (resid 9 and name HN) 4.0 2.2 2.0 ! 1.016405 5 MET/LEU 3.77 2.31e-001 0 0 assign (resid 8 and name HB2) (resid 9 and name HN) 4.0 2.2 2.0 !MET LEU 207709.28515625 assign (resid 8 and name HG1) (resid 11 and name HD#) 4.0 2.2 2.0 !T 1.086454 2 MET/LEU 6.44 -2.44e+000 0 0 assign (resid 8 and name HG1) (resid 12 and name HB2) 4.0 2.2 2.0 !TB 1.095133 5 MET/LEU 7.01 -3.01e+000 0 2 assign (resid 8 and name HG1) (resid 8 and name HA) 4.0 2.2 2.0 !MET MET 27732.959777832 assign (resid 8 and name HG1) (resid 8 and name HB2) 4.0 2.2 2.0 !MET MET 27475.149658203 assign (resid 8 and name HG1) (resid 8 and name HG2) 4.0 2.2 2.0 !MET MET 27242.990234375 assign (resid 8 and name HG1) (resid 8 and name HN) 4.0 2.2 2.0 !MET MET 27452.944580078 assign (resid 8 and name HG2) (resid 11 and name HB1) 4.0 2.2 2.0 !B 0.961272 5 MET/LEU 5.26 -1.26e+000 0 2 assign (resid 8 and name HG2) (resid 11 and name HB2) 4.0 2.2 2.0 !B 0.961272 5 MET/LEU 4.34 -3.37e-001 0 2 assign (resid 8 and name HG2) (resid 11 and name HD#) 4.0 2.2 2.0 !T 1.097671 2 MET/LEU 6.39 -2.39e+000 0 0 assign (resid 8 and name HG2) (resid 12 and name HA) 4.0 2.2 2.0 !TISPA 1.000000 5 MET/LEU 7.13 -3.13e+000 0 0 assign (resid 8 and name HG2) (resid 12 and name HB1) 4.0 2.2 2.0 !TB 1.091711 5 MET/LEU 7.37 -3.37e+000 0 2 assign (resid 8 and name HG2) (resid 12 and name HB2) 4.0 2.2 2.0 !TB 1.091711 5 MET/LEU 6.19 -2.19e+000 0 2 assign (resid 8 and name HG2) (resid 12 and name HN) 4.0 2.2 2.0 ! 1.070849 5 MET/LEU 5.66 -1.66e+000 0 0 assign (resid 8 and name HG2) (resid 8 and name HA) 4.0 2.2 2.0 !MET MET 39611.579589844 assign (resid 8 and name HG2) (resid 8 and name HB2) 4.0 2.2 2.0 !MET MET 39484.374023438 assign (resid 8 and name HG2) (resid 8 and name HG1) 4.0 2.2 2.0 !F 1.000000 5 MET/MET 1.78 2.20e-001 0 0 assign (resid 8 and name HG2) (resid 8 and name HN) 4.0 2.2 2.0 !MET MET 39469.319335938 assign (resid 8 and name HN) (resid 10 and name HN) 4.0 2.2 2.0 !MET CYS 95200.10546875 assign (resid 8 and name HN) (resid 6 and name HB#) 4.0 2.2 2.0 !MET ALA 97530.6015625 assign (resid 8 and name HN) (resid 8 and name HA) 4.0 2.2 2.0 !MET MET 95938.796875 assign (resid 8 and name HN) (resid 8 and name HA) 4.0 2.2 2.0 !T 1.099870 5 MET/MET 2.88 -8.80e-001 0 0 assign (resid 8 and name HN) (resid 8 and name HB2) 4.0 2.2 2.0 !MET MET 95295.953125 assign (resid 8 and name HN) (resid 8 and name HG1) 4.0 2.2 2.0 !T 0.903738 5 MET/MET 2.30 -2.95e-001 0 0 assign (resid 8 and name HN) (resid 8 and name HG2) 4.0 2.2 2.0 ! 0.946957 5 MET/MET 3.69 3.11e-001 0 0 assign (resid 8 and name HN) (resid 9 and name HB1) 4.0 2.2 2.0 !T 1.097744 5 MET/LEU 5.32 -1.32e+000 0 0 assign (resid 8 and name HN) (resid 9 and name HN) 4.0 2.2 2.0 !MET LEU 96030.015625 assign (resid 9 and name HA) (resid 9 and name HG) 4.0 2.2 2.0 !T 1.098996 5 LEU/LEU 3.61 -6.08e-001 0 0 assign (resid 9 and name HB1) (resid 9 and name HA) 4.0 2.2 2.0 !LEU LEU 38617.213134766 assign (resid 9 and name HB1) (resid 9 and name HB2) 4.0 2.2 2.0 !LEU LEU 37064.565429688 assign (resid 9 and name HB1) (resid 9 and name HD#) 4.0 2.2 2.0 !LEU LEU 38191.705078125 assign (resid 9 and name HB1) (resid 9 and name HG) 4.0 2.2 2.0 !LEU LEU 37164.068969727 assign (resid 9 and name HB1) (resid 9 and name HN) 4.0 2.2 2.0 !LEU LEU 38382.165008545 assign (resid 9 and name HB2) (resid 9 and name HA) 4.0 2.2 2.0 !LEU LEU 48013.12109375 assign (resid 9 and name HB2) (resid 9 and name HB1) 4.0 2.2 2.0 !F 1.000000 5 LEU/LEU 1.78 2.20e-001 0 0 assign (resid 9 and name HB2) (resid 9 and name HD#) 4.0 2.2 2.0 ! 0.997580 2 LEU/LEU 4.01 -6.10e-003 0 0 assign (resid 9 and name HB2) (resid 9 and name HD#) 4.0 2.2 2.0 !LEU LEU 46237.279296875 assign (resid 9 and name HB2) (resid 9 and name HG) 4.0 2.2 2.0 ! 1.053926 5 LEU/LEU 2.50 -5.03e-001 0 0 assign (resid 9 and name HB2) (resid 9 and name HG) 4.0 2.2 2.0 !LEU LEU 46211.483398438 assign (resid 9 and name HB2) (resid 9 and name HN) 4.0 2.2 2.0 !LEU LEU 47568.62890625 assign (resid 9 and name HD#) (resid 10 and name HN) 4.0 2.2 2.0 ! 1.045167 2 LEU/CYS 4.29 -2.95e-001 0 0 assign (resid 9 and name HD#) (resid 12 and name HB2) 4.0 2.2 2.0 !B 0.941712 2 LEU/LEU 5.74 -1.74e+000 0 2 assign (resid 9 and name HD#) (resid 13 and name HD21) 4.0 2.2 2.0 !T 0.916328 2 LEU/ASN 3.48 5.16e-001 0 0 assign (resid 9 and name HD#) (resid 13 and name HD22) 4.0 2.2 2.0 !T 0.903489 2 LEU/ASN 2.78 1.22e+000 0 0 assign (resid 9 and name HD#) (resid 23 and name HB1) 4.0 2.2 2.0 ! 1.046050 2 LEU/LEU 6.36 -2.36e+000 0 0 assign (resid 9 and name HD#) (resid 23 and name HB2) 4.0 2.2 2.0 !ISPAC 1.000000 2 LEU/LEU 7.12 -3.12e+000 0 0 assign (resid 9 and name HD#) (resid 23 and name HD1#) 4.0 2.2 2.0 !TISPA 1.000000 2 LEU/LEU 6.25 -4.25e+000 0 0 assign (resid 9 and name HD#) (resid 9 and name HA) 4.0 2.2 2.0 !LEU LEU 82851.893737793 assign (resid 9 and name HD#) (resid 9 and name HN) 4.0 2.2 2.0 !LEU LEU 82127.40234375 assign (resid 9 and name HG) (resid 13 and name HD21) 4.0 2.2 2.0 ! 1.060753 5 LEU/ASN 5.70 -1.70e+000 0 0 assign (resid 9 and name HG) (resid 9 and name HA) 4.0 2.2 2.0 !LEU LEU 75244.91015625 assign (resid 9 and name HG) (resid 9 and name HD#) 4.0 2.2 2.0 !LEU LEU 75052.1171875 assign (resid 9 and name HG) (resid 9 and name HD#) 4.0 2.2 2.0 !F 1.000000 2 LEU/LEU 2.80 1.96e-001 0 0 assign (resid 9 and name HG) (resid 9 and name HN) 4.0 2.2 2.0 !LEU LEU 75068.650390625 assign (resid 9 and name HN) (resid 5 and name HA) 4.0 2.2 2.0 !LEU PHE 274513.6875 assign (resid 9 and name HN) (resid 8 and name HA) 4.0 2.2 2.0 !LEU MET 273388.5859375 assign (resid 9 and name HN) (resid 9 and name HA) 4.0 2.2 2.0 !LEU LEU 277404.8515625 assign (resid 9 and name HN) (resid 9 and name HB1) 4.0 2.2 2.0 ! 1.030674 5 LEU/LEU 2.82 1.82e-001 0 0 assign (resid 9 and name HN) (resid 9 and name HB2) 4.0 2.2 2.0 ! 1.056913 5 LEU/LEU 2.51 -5.05e-001 0 0