NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
2800 | 1clh | 4037 | cing | 1-original | 1 | unknown | distance | NOE | simple |
GLY_3 HA1 ASP_4 HN -1.0 4.0 GLY_3 HA2 ASP_4 HN -1.0 4.0 ASP_4 HA PRO_5 HD1 -1.0 4.0 ASP_4 HA PRO_5 HD2 -1.0 4.0 ASP_4 HB1 ASP_4 HN -1.0 3.5 ASP_4 HB2 ASP_4 HN -1.0 4.5 ASP_4 HA ASP_4 HN -1.0 4.5 PRO_5 HA HIS_6 HN -1.0 3.0 PRO_5 HB1 HIS_6 HN -1.0 5.5 PRO_5 HB2 HIS_6 HN -1.0 5.0 HIS_6 HA GLU_19 HB2 -1.0 4.5 HIS_6 HN VAL_164 HG* -1.0 6.9 HIS_6 HN VAL_7 HN -1.0 4.5 HIS_6 HA VAL_7 HN -1.0 3.0 HIS_6 HA GLU_19 HA -1.0 3.0 HIS_6 HA LEU_20 HN -1.0 4.5 HIS_6 HA LEU_8 HD1* -1.0 6.9 HIS_6 HB2 VAL_7 HN -1.0 4.5 HIS_6 HB2 LEU_8 HD1* -1.0 5.4 HIS_6 HB1 VAL_7 HN -1.0 5.0 HIS_6 HB1 LEU_8 HD1* -1.0 5.4 HIS_6 HE1 GLU_19 HB1 -1.0 4.5 HIS_6 HE1 VAL_129 HG1* -1.0 5.4 ecyp_expt_data.dat Page 2 Residue Atom Residue Atom Lower(A) Upper(A) HIS_6 HE1 VAL_129 HG2* -1.0 6.9 HIS_6 HE1 VAL_129 HB -1.0 4.5 HIS_6 HD2 VAL_129 HG1* -1.0 6.9 HIS_6 HD2 PRO_5 HA -1.0 4.0 HIS_6 HD2 GLU_19 HA -1.0 3.0 HIS_6 HD2 GLU_19 HB1 -1.0 4.5 HIS_6 HD2 GLU_19 HB2 -1.0 4.0 HIS_6 HD2 LEU_20 HN -1.0 4.5 HIS_6 HB1 HIS_6 HN -1.0 4.5 HIS_6 HB2 HIS_6 HN -1.0 4.5 VAL_7 HN LEU_18 HN -1.0 4.5 VAL_7 HN GLU_19 HA -1.0 4.5 VAL_7 HN LEU_20 HD1* -1.0 6.9 VAL_7 HA LEU_8 HN -1.0 3.0 VAL_7 HA LEU_20 HD1* -1.0 6.9 VAL_7 HA VAL_164 HA -1.0 3.0 VAL_7 HB LEU_8 HN -1.0 4.5 VAL_7 HB LEU_18 HD2* -1.0 5.4 VAL_7 HB PHE_103 HZ -1.0 5.0 VAL_7 HG1* LEU_8 HN -1.0 5.4 VAL_7 HG1* LEU_18 HD2* -1.0 7.8 VAL_7 HG1* PHE_103 HZ -1.0 6.4 VAL_7 HG1* PHE_103 HE* -1.0 7.8 VAL_7 HG1* ALA_162 HA -1.0 6.9 VAL_7 HG1* VAL_164 HA -1.0 6.9 VAL_7 HG2* LEU_8 HN -1.0 6.4 VAL_7 HG2* ILE_88 HD1* -1.0 7.9 VAL_7 HG2* ILE_88 HG2* -1.0 7.9 VAL_7 HG2* LEU_18 HD2* -1.0 7.8 VAL_7 HG2* PHE_103 HZ -1.0 6.4 VAL_7 HG2* PHE_103 HE* -1.0 7.8 VAL_7 HG2* PHE_103 HD* -1.0 7.8 VAL_7 HA LEU_165 HN -1.0 4.0 VAL_7 HG2* VAL_7 HN -1.0 6.9 VAL_7 HB VAL_7 HN -1.0 3.5 LEU_8 HN LEU_9 HN -1.0 5.0 LEU_8 HN LYS_163 HN -1.0 4.5 LEU_8 HN VAL_164 HA -1.0 4.5 LEU_8 HN LEU_165 HN -1.0 4.5 LEU_8 HA GLU_17 HA -1.0 3.0 LEU_8 HA LEU_9 HN -1.0 3.0 LEU_8 HB1 LEU_9 HN -1.0 5.0 LEU_8 HB2 LEU_9 HN -1.0 5.5 LEU_8 HD1* LEU_9 HN -1.0 5.4 LEU_8 HD2* LEU_9 HN -1.0 5.4 LEU_8 HD1* GLU_17 HA -1.0 6.4 LEU_8 HD2* ASN_15 HA -1.0 6.4 LEU_8 HD2* ASN_15 HB2 -1.0 6.4 LEU_8 HD2* ASN_15 HB1 -1.0 7.4 LEU_8 HD2* GLU_17 HA -1.0 5.4 LEU_8 HB1 LEU_8 HN -1.0 5.5 LEU_8 HB2 LEU_8 HN -1.0 5.5 LEU_9 HN THR_10 HN -1.0 5.0 LEU_9 HN ILE_16 HN -1.0 4.5 LEU_9 HN GLU_17 HA -1.0 4.5 LEU_9 HA THR_10 HN -1.0 3.0 ecyp_expt_data.dat Page 3 Residue Atom Residue Atom Lower(A) Upper(A) LEU_9 HA ALA_162 HA -1.0 3.0 LEU_9 HA ALA_162 HB* -1.0 5.0 LEU_9 HA SER_161 HN -1.0 5.0 LEU_9 HA LYS_163 HN -1.0 4.5 LEU_9 HB2 THR_10 HN -1.0 4.5 LEU_9 HB1 THR_10 HN -1.0 4.5 LEU_9 HB1 ALA_162 HB* -1.0 5.5 LEU_9 HG THR_10 HN -1.0 4.0 LEU_9 HD1* THR_10 HN -1.0 6.9 LEU_9 HD1* PHE_103 HE* -1.0 7.8 LEU_9 HD1* PHE_103 HZ -1.0 5.4 LEU_9 HD1* ILE_159 HD1* -1.0 6.4 LEU_9 HD1* ALA_162 HA -1.0 5.4 LEU_9 HD1* ALA_162 HB* -1.0 6.4 LEU_9 HD1* LYS_163 HN -1.0 6.9 LEU_9 HD2* THR_10 HN -1.0 6.4 LEU_9 HD2* ALA_162 HB* -1.0 6.4 LEU_9 HG LEU_9 HN -1.0 4.5 THR_10 HN SER_161 HN -1.0 4.0 THR_10 HN ALA_162 HA -1.0 4.0 THR_10 HA THR_11 HN -1.0 3.0 THR_10 HA ASN_15 HA -1.0 3.0 THR_10 HA ILE_16 HG2* -1.0 5.5 THR_10 HA ILE_16 HD1* -1.0 5.5 THR_10 HB ASN_15 HA -1.0 5.0 THR_10 HB LEU_160 HB* -1.0 6.0 THR_10 HB SER_161 HB* -1.0 4.0 THR_10 HB SER_161 HN -1.0 3.0 THR_10 HG2* ASN_15 HA -1.0 5.0 THR_10 HG2* THR_11 HN -1.0 5.5 THR_10 HG2* GLY_14 HN -1.0 6.0 THR_10 HG2* LEU_160 HD* -1.0 6.4 THR_10 HG2* SER_161 HN -1.0 5.5 THR_10 HG2* SER_161 HB* -1.0 6.0 THR_10 HG2* THR_10 HN -1.0 5.5 THR_10 HB THR_10 HN -1.0 3.5 THR_10 HA THR_10 HN -1.0 4.5 THR_11 HN ASN_15 HA -1.0 4.0 THR_11 HN GLY_14 HN -1.0 4.5 THR_11 HN ILE_16 HN -1.0 5.0 THR_11 HA SER_12 HN -1.0 3.0 THR_11 HA ALA_13 HN -1.0 4.5 THR_11 HA ILE_159 HA -1.0 3.0 THR_11 HA ILE_159 HG2* -1.0 4.0 THR_11 HA ILE_159 HD1* -1.0 5.5 THR_11 HA ILE_159 HG12 -1.0 4.5 THR_11 HA LEU_160 HN -1.0 3.0 THR_11 HA LEU_160 HG -1.0 4.0 THR_11 HA LEU_160 HD* -1.0 6.9 THR_11 HA SER_161 HN -1.0 4.5 THR_11 HB SER_12 HN -1.0 3.0 THR_11 HB ALA_13 HN -1.0 4.5 THR_11 HB GLY_14 HN -1.0 4.5 THR_11 HB PHE_46 HE* -1.0 6.9 THR_11 HB ILE_138 HD1* -1.0 5.5 THR_11 HB ILE_138 HG2* -1.0 5.5 ecyp_expt_data.dat Page 4 Residue Atom Residue Atom Lower(A) Upper(A) THR_11 HB ILE_159 HA -1.0 4.5 THR_11 HG2* SER_12 HN -1.0 4.0 THR_11 HG2* ALA_13 HN -1.0 5.5 THR_11 HG2* ILE_16 HD1* -1.0 5.0 THR_11 HG2* PHE_46 HD* -1.0 7.9 THR_11 HG2* PHE_46 HE* -1.0 6.4 THR_11 HG2* ILE_138 HD1* -1.0 6.5 THR_11 HG2* ILE_159 HA -1.0 4.0 THR_11 HG2* ILE_159 HD1* -1.0 5.0 THR_11 HG2* ILE_159 HG2* -1.0 5.0 THR_11 HG2* LEU_160 HN -1.0 5.5 THR_11 HA THR_11 HN -1.0 3.5 SER_12 HA ALA_13 HN -1.0 4.5 SER_12 HA GLY_14 HN -1.0 5.0 SER_12 HA LEU_160 HD* -1.0 5.4 SER_12 HN ALA_13 HN -1.0 3.0 SER_12 HN GLY_14 HN -1.0 5.0 SER_12 HN VAL_158 HN -1.0 4.5 SER_12 HN ILE_159 HA -1.0 4.5 SER_12 HN VAL_158 HB -1.0 4.5 SER_12 HN LEU_160 HN -1.0 4.5 SER_12 HN LEU_160 HG -1.0 4.5 SER_12 HN LEU_160 HD* -1.0 5.4 SER_12 HB1 LEU_160 HD* -1.0 6.4 SER_12 HB2 LEU_160 HD* -1.0 6.4 SER_12 HB1 SER_12 HN -1.0 4.5 SER_12 HB2 SER_12 HN -1.0 5.5 SER_12 HA SER_12 HN -1.0 4.5 ALA_13 HN GLY_14 HN -1.0 3.0 ALA_13 HA GLY_14 HN -1.0 3.0 ALA_13 HA VAL_134 HG2* -1.0 5.5 ALA_13 HB* GLY_14 HN -1.0 5.5 ALA_13 HB* ILE_138 HN -1.0 5.5 ALA_13 HB* ILE_138 HA -1.0 4.0 ALA_13 HB* ILE_138 HD1* -1.0 5.0 ALA_13 HB* ILE_138 HG2* -1.0 5.0 ALA_13 HB* VAL_134 HG2* -1.0 5.0 GLY_14 HN VAL_134 HG2* -1.0 5.0 GLY_14 HN VAL_134 HG1* -1.0 5.0 GLY_14 HA1 ASN_15 HN -1.0 4.0 GLY_14 HA2 ASN_15 HN -1.0 5.0 GLY_14 HA1 VAL_134 HG2* -1.0 5.0 GLY_14 HA1 VAL_134 HG1* -1.0 5.0 GLY_14 HA2 VAL_134 HG2* -1.0 5.0 GLY_14 HA2 VAL_134 HG1* -1.0 5.0 GLY_14 HA2 VAL_134 HB -1.0 5.5 GLY_14 HA1 GLY_14 HN -1.0 4.5 ASN_15 HN VAL_134 HG2* -1.0 5.5 ASN_15 HN VAL_134 HG1* -1.0 5.0 ASN_15 HA ILE_16 HN -1.0 3.0 ASN_15 HB2 ILE_16 HN -1.0 5.5 ASN_15 HB1 ILE_16 HN -1.0 4.5 ASN_15 HD21 LEU_8 HD1* -1.0 7.9 ASN_15 HD22 LEU_8 HD1* -1.0 7.9 ASN_15 HD21 LEU_8 HD2* -1.0 7.9 ASN_15 HD22 LEU_8 HD2* -1.0 7.9 ecyp_expt_data.dat Page 5 Residue Atom Residue Atom Lower(A) Upper(A) ASN_15 HB1 ASN_15 HN -1.0 4.5 ASN_15 HB2 ASN_15 HN -1.0 4.5 ILE_16 HA GLU_17 HN -1.0 3.0 ILE_16 HB GLU_17 HN -1.0 5.0 ILE_16 HB VAL_134 HG2* -1.0 5.0 ILE_16 HG2* GLU_17 HN -1.0 4.0 ILE_16 HG2* VAL_134 HG1* -1.0 6.0 ILE_16 HG2* VAL_134 HB -1.0 5.5 ILE_16 HG2* ILE_138 HD1* -1.0 6.5 ILE_16 HD1* GLU_17 HN -1.0 5.0 ILE_16 HD1* PHE_46 HE* -1.0 6.9 ILE_16 HD1* PHE_46 HD* -1.0 6.4 ILE_16 HD1* ILE_55 HD1* -1.0 6.0 ILE_16 HD1* VAL_134 HB -1.0 5.0 ILE_16 HD1* VAL_134 HG2* -1.0 5.0 ILE_16 HD1* ALA_135 HA -1.0 5.0 ILE_16 HD1* ALA_135 HB* -1.0 5.0 ILE_16 HD1* ALA_135 HN -1.0 6.0 ILE_16 HD1* ILE_138 HD1* -1.0 5.0 ILE_16 HB ILE_16 HN -1.0 4.5 GLU_17 HA LEU_18 HN -1.0 3.0 GLU_17 HA VAL_129 HG1* -1.0 6.9 GLU_17 HB* LEU_18 HN -1.0 4.0 GLU_17 HG* LEU_18 HN -1.0 5.5 GLU_17 HN VAL_129 HN -1.0 5.0 GLU_17 HN LYS_130 HN -1.0 4.5 GLU_17 HB* GLU_17 HN -1.0 4.5 GLU_17 HA GLU_17 HN -1.0 4.5 LEU_18 HN GLU_19 HN -1.0 5.0 LEU_18 HA GLU_19 HN -1.0 3.0 LEU_18 HA VAL_128 HA -1.0 3.0 LEU_18 HA VAL_128 HG* -1.0 5.4 LEU_18 HA VAL_129 HN -1.0 4.0 LEU_18 HA ILE_105 HD1* -1.0 5.5 LEU_18 HB1 VAL_128 HG* -1.0 7.4 LEU_18 HD1* ILE_88 HA -1.0 6.9 LEU_18 HD1* ILE_88 HG2* -1.0 6.4 LEU_18 HD1* ILE_88 HD1* -1.0 6.4 LEU_18 HD1* VAL_128 HA -1.0 5.4 LEU_18 HD1* VAL_128 HB -1.0 5.4 LEU_18 HD1* VAL_128 HG* -1.0 7.8 LEU_18 HD2* ILE_88 HG2* -1.0 7.4 LEU_18 HD2* ILE_88 HD1* -1.0 6.4 LEU_18 HD2* PHE_103 HZ -1.0 5.4 LEU_18 HD2* PHE_103 HE* -1.0 7.8 LEU_18 HD2* PHE_103 HD* -1.0 9.3 LEU_18 HD2* VAL_128 HA -1.0 6.9 LEU_18 HD2* VAL_128 HG* -1.0 7.8 LEU_18 HD2* LEU_18 HN -1.0 6.4 LEU_18 HB2 LEU_18 HN -1.0 4.5 LEU_18 HA LEU_18 HN -1.0 4.5 GLU_19 HN LYS_127 HN -1.0 4.0 GLU_19 HN VAL_128 HA -1.0 4.0 GLU_19 HA LEU_20 HN -1.0 3.0 GLU_19 HA GLU_19 HN -1.0 4.5 GLU_19 HB1 GLU_19 HN -1.0 4.5 ecyp_expt_data.dat Page 6 Residue Atom Residue Atom Lower(A) Upper(A) GLU_19 HB2 GLU_19 HN -1.0 4.5 LEU_20 HA ASP_21 HN -1.0 3.0 LEU_20 HA GLY_126 HA1 -1.0 5.5 LEU_20 HA GLY_126 HA2 -1.0 5.5 LEU_20 HA LYS_127 HN -1.0 4.5 LEU_20 HB* ASP_21 HN -1.0 5.0 LEU_20 HD1* ASP_21 HN -1.0 6.4 LEU_20 HD1* VAL_29 HG2* -1.0 7.8 LEU_20 HD1* PHE_32 HD* -1.0 9.3 LEU_20 HD1* PHE_125 HE* -1.0 7.8 LEU_20 HD1* PHE_125 HZ -1.0 6.4 LEU_20 HD1* ILE_88 HD1* -1.0 7.9 LEU_20 HD1* ILE_88 HG2* -1.0 6.4 LEU_20 HD1* GLY_126 HA1 -1.0 6.4 LEU_20 HD1* GLY_126 HA2 -1.0 6.4 LEU_20 HD2* ILE_88 HG2* -1.0 7.9 LEU_20 HD2* ILE_88 HD1* -1.0 7.9 LEU_20 HD2* PHE_103 HE* -1.0 9.3 LEU_20 HD2* PHE_103 HD* -1.0 7.8 LEU_20 HD2* PHE_103 HZ -1.0 6.9 LEU_20 HD2* GLY_126 HA1 -1.0 7.9 LEU_20 HD2* LEU_20 HN -1.0 6.9 LEU_20 HB* LEU_20 HN -1.0 4.5 LEU_20 HA LEU_20 HN -1.0 4.5 ASP_21 HN LYS_22 HN -1.0 5.0 ASP_21 HN PHE_125 HD* -1.0 7.4 ASP_21 HN GLY_126 HA1 -1.0 5.5 ASP_21 HN GLY_126 HA2 -1.0 5.0 ASP_21 HA LYS_22 HN -1.0 3.0 ASP_21 HA GLN_23 HN -1.0 4.0 ASP_21 HA LYS_24 HN -1.0 5.0 ASP_21 HB1 LYS_22 HN -1.0 5.0 ASP_21 HB2 LYS_22 HN -1.0 5.5 ASP_21 HB1 ASP_21 HN -1.0 4.5 ASP_21 HB2 ASP_21 HN -1.0 4.5 LYS_22 HN GLN_23 HN -1.0 3.0 LYS_22 HA GLN_23 HN -1.0 4.5 LYS_22 HA PRO_26 HA -1.0 4.5 LYS_22 HA ALA_25 HN -1.0 4.5 LYS_22 HA VAL_29 HB -1.0 4.0 LYS_22 HA VAL_29 HG1* -1.0 5.4 LYS_22 HA VAL_29 HG2* -1.0 5.4 LYS_22 HB1 GLN_23 HN -1.0 4.0 LYS_22 HB2 GLN_23 HN -1.0 5.5 LYS_22 HB1 VAL_29 HG2* -1.0 5.4 LYS_22 HB2 VAL_29 HG2* -1.0 6.9 LYS_22 HG* GLN_23 HN -1.0 5.0 LYS_22 HA LYS_22 HN -1.0 3.5 LYS_22 HB1 LYS_22 HN -1.0 4.5 LYS_22 HB2 LYS_22 HN -1.0 4.5 GLN_23 HN LYS_24 HN -1.0 3.0 GLN_23 HN ALA_25 HN -1.0 4.0 GLN_23 HA LYS_24 HN -1.0 4.0 GLN_23 HB* LYS_24 HN -1.0 4.0 GLN_23 HG1 LYS_24 HN -1.0 4.5 GLN_23 HA GLN_23 HN -1.0 4.5 ecyp_expt_data.dat Page 7 Residue Atom Residue Atom Lower(A) Upper(A) GLN_23 HB* GLN_23 HN -1.0 4.5 GLN_23 HG1 GLN_23 HN -1.0 5.5 LYS_24 HN ALA_25 HN -1.0 3.0 LYS_24 HN LEU_81 HD* -1.0 6.9 LYS_24 HA ALA_25 HN -1.0 4.0 LYS_24 HA LEU_81 HD* -1.0 6.9 LYS_24 HB1 ALA_25 HN -1.0 5.0 LYS_24 HB1 LEU_81 HD* -1.0 6.4 LYS_24 HB2 ALA_25 HN -1.0 4.0 LYS_24 HB2 LEU_81 HD* -1.0 6.4 LYS_24 HA LYS_24 HN -1.0 3.5 ALA_25 HA PRO_26 HD1 -1.0 4.0 ALA_25 HA PRO_26 HD2 -1.0 4.0 ALA_25 HB* SER_28 HN -1.0 5.0 ALA_25 HB* SER_28 HB1 -1.0 6.5 ALA_25 HB* VAL_29 HN -1.0 5.5 ALA_25 HB* VAL_29 HG2* -1.0 6.4 ALA_25 HA ALA_25 HN -1.0 4.5 ALA_25 HB* ALA_25 HN -1.0 4.0 PRO_26 HA VAL_27 HN -1.0 4.5 PRO_26 HA VAL_29 HN -1.0 4.5 PRO_26 HA VAL_29 HG1* -1.0 6.9 PRO_26 HA VAL_29 HG2* -1.0 6.9 PRO_26 HA GLN_30 HN -1.0 4.5 PRO_26 HB1 VAL_27 HN -1.0 4.5 PRO_26 HB2 VAL_27 HN -1.0 4.5 VAL_27 HN SER_28 HN -1.0 3.0 VAL_27 HN VAL_29 HN -1.0 4.5 VAL_27 HA SER_28 HN -1.0 4.0 VAL_27 HA GLN_30 HN -1.0 4.0 VAL_27 HA GLN_30 HB1 -1.0 4.0 VAL_27 HA GLN_30 HB2 -1.0 4.0 VAL_27 HA ASN_31 HN -1.0 5.0 VAL_27 HB SER_28 HN -1.0 3.0 VAL_27 HG* SER_28 HN -1.0 5.5 VAL_27 HB VAL_27 HN -1.0 4.5 SER_28 HN VAL_29 HN -1.0 3.0 SER_28 HN GLN_30 HN -1.0 4.5 SER_28 HA ILE_73 HD1* -1.0 4.0 SER_28 HA VAL_29 HN -1.0 4.5 SER_28 HB1 VAL_29 HN -1.0 5.5 SER_28 HB2 VAL_29 HN -1.0 5.5 SER_28 HB1 SER_28 HN -1.0 5.5 VAL_29 HN GLN_30 HN -1.0 3.0 VAL_29 HN ASN_31 HN -1.0 5.0 VAL_29 HN PHE_32 HN -1.0 5.0 VAL_29 HA GLN_30 HN -1.0 4.5 VAL_29 HA PHE_32 HN -1.0 4.5 VAL_29 HA VAL_33 HN -1.0 4.5 VAL_29 HA VAL_33 HG* -1.0 6.9 VAL_29 HA PHE_125 HD* -1.0 6.4 VAL_29 HA PHE_125 HE* -1.0 6.9 VAL_29 HG1* GLN_30 HN -1.0 5.0 VAL_29 HG2* GLN_30 HN -1.0 5.0 VAL_29 HG2* PHE_125 HD* -1.0 5.4 VAL_29 HG2* PHE_125 HE* -1.0 9.3 ecyp_expt_data.dat Page 8 Residue Atom Residue Atom Lower(A) Upper(A) VAL_29 HA VAL_29 HN -1.0 4.5 VAL_29 HB VAL_29 HN -1.0 3.5 VAL_29 HG2* VAL_29 HN -1.0 6.9 GLN_30 HN ASN_31 HN -1.0 4.5 GLN_30 HA ASN_31 HN -1.0 4.0 GLN_30 HA VAL_33 HN -1.0 4.0 GLN_30 HA VAL_33 HB -1.0 4.0 GLN_30 HA VAL_33 HG* -1.0 5.4 GLN_30 HA ASP_34 HN -1.0 4.5 GLN_30 HB1 ASN_31 HN -1.0 4.5 GLN_30 HB2 ASN_31 HN -1.0 4.5 GLN_30 HG* ASN_31 HN -1.0 5.5 GLN_30 HE21 ASP_34 HN -1.0 5.0 GLN_30 HE22 ASP_34 HN -1.0 5.0 GLN_30 HA GLN_30 HN -1.0 3.5 ASN_31 HN PHE_32 HN -1.0 3.0 ASN_31 HN VAL_33 HN -1.0 5.0 ASN_31 HN ASP_34 HN -1.0 5.0 ASN_31 HN ILE_73 HG2* -1.0 5.5 ASN_31 HA PHE_32 HN -1.0 4.5 ASN_31 HA VAL_33 HN -1.0 5.0 ASN_31 HA ASP_34 HN -1.0 4.5 ASN_31 HA ASP_34 HB1 -1.0 4.5 ASN_31 HA ASP_34 HB2 -1.0 4.5 ASN_31 HB1 PHE_32 HN -1.0 4.5 ASN_31 HB2 PHE_32 HN -1.0 4.5 ASN_31 HB1 ILE_73 HD1* -1.0 5.0 ASN_31 HB2 ILE_73 HD1* -1.0 5.0 ASN_31 HB1 ILE_73 HG2* -1.0 5.0 ASN_31 HB2 ILE_73 HG2* -1.0 5.0 ASN_31 HA ASN_31 HN -1.0 3.5 ASN_31 HB1 ASN_31 HN -1.0 4.5 ASN_31 HB2 ASN_31 HN -1.0 4.5 PHE_32 HN ASP_34 HN -1.0 4.5 PHE_32 HB1 ASP_34 HN -1.0 5.5 PHE_32 HN VAL_33 HN -1.0 4.0 PHE_32 HA VAL_33 HN -1.0 4.5 PHE_32 HA TYR_35 HD* -1.0 5.4 PHE_32 HA TYR_35 HE* -1.0 6.9 PHE_32 HA VAL_36 HN -1.0 5.0 PHE_32 HA SER_101 HB1 -1.0 5.5 PHE_32 HB1 VAL_33 HN -1.0 5.0 PHE_32 HB1 PHE_125 HE* -1.0 7.4 PHE_32 HB2 VAL_33 HN -1.0 5.5 PHE_32 HB2 PHE_125 HE* -1.0 6.9 PHE_32 HD* VAL_33 HN -1.0 6.4 PHE_32 HD* VAL_36 HG1* -1.0 6.4 PHE_32 HZ PHE_125 HE* -1.0 7.9 PHE_32 HZ PHE_125 HZ -1.0 5.5 PHE_32 HD* PHE_125 HE* -1.0 7.8 PHE_32 HD* PHE_125 HZ -1.0 6.9 PHE_32 HA PHE_32 HN -1.0 4.5 PHE_32 HB1 PHE_32 HN -1.0 4.5 PHE_32 HB2 PHE_32 HN -1.0 4.5 VAL_33 HN ASP_34 HN -1.0 3.0 VAL_33 HN TYR_35 HN -1.0 5.0 ecyp_expt_data.dat Page 9 Residue Atom Residue Atom Lower(A) Upper(A) VAL_33 HA ASP_34 HN -1.0 4.5 VAL_33 HA TYR_35 HN -1.0 4.5 VAL_33 HA VAL_36 HN -1.0 4.0 VAL_33 HA VAL_36 HG1* -1.0 4.0 VAL_33 HA VAL_36 HG2* -1.0 4.0 VAL_33 HA ASN_37 HN -1.0 3.0 VAL_33 HB ASP_34 HN -1.0 4.5 VAL_33 HG* ASP_34 HN -1.0 5.9 VAL_33 HG* TYR_35 HN -1.0 6.9 VAL_33 HG* ASN_37 HN -1.0 5.4 VAL_33 HA VAL_33 HN -1.0 4.5 VAL_33 HB VAL_33 HN -1.0 3.5 ASP_34 HN TYR_35 HN -1.0 3.0 ASP_34 HA TYR_35 HN -1.0 4.0 ASP_34 HA ASN_37 HN -1.0 4.0 ASP_34 HB1 TYR_35 HN -1.0 4.5 ASP_34 HB2 TYR_35 HN -1.0 3.0 ASP_34 HA ASP_34 HN -1.0 4.5 ASP_34 HB1 ASP_34 HN -1.0 4.5 ASP_34 HB2 ASP_34 HN -1.0 4.5 TYR_35 HN VAL_36 HN -1.0 3.0 TYR_35 HN ASN_37 HN -1.0 4.5 TYR_35 HN TYR_41 HE* -1.0 6.4 TYR_35 HA VAL_36 HN -1.0 5.0 TYR_35 HA ASN_37 HN -1.0 5.0 TYR_35 HB2 VAL_36 HN -1.0 5.0 TYR_35 HB1 VAL_36 HN -1.0 5.5 TYR_35 HD* VAL_36 HN -1.0 6.9 TYR_35 HD* PHE_40 HA -1.0 6.9 TYR_35 HD* PHE_40 HB1 -1.0 6.4 TYR_35 HD* PHE_40 HB2 -1.0 6.4 TYR_35 HD* PHE_40 HE* -1.0 9.3 TYR_35 HD* SER_101 HA -1.0 5.4 TYR_35 HE* PHE_40 HE* -1.0 9.3 TYR_35 HE* PHE_40 HD* -1.0 9.3 TYR_35 HD* TYR_41 HD* -1.0 9.3 TYR_35 HD* TYR_41 HE* -1.0 9.3 TYR_35 HE* PRO_69 HA -1.0 5.4 TYR_35 HE* ASN_70 HN -1.0 6.9 TYR_35 HE* SER_101 HA -1.0 6.4 TYR_35 HA TYR_35 HN -1.0 4.5 TYR_35 HB1 TYR_35 HN -1.0 5.5 VAL_36 HN TYR_41 HE* -1.0 6.4 VAL_36 HN ASN_37 HN -1.0 3.0 VAL_36 HA ASN_37 HN -1.0 5.0 VAL_36 HA SER_38 HN -1.0 4.5 VAL_36 HA TYR_41 HD* -1.0 6.4 VAL_36 HA TYR_41 HE* -1.0 6.4 VAL_36 HA ALA_162 HB* -1.0 5.5 VAL_36 HB ASN_37 HN -1.0 3.0 VAL_36 HB SER_38 HN -1.0 4.5 VAL_36 HG1* ASN_37 HN -1.0 5.0 VAL_36 HG2* ASN_37 HN -1.0 4.0 VAL_36 HA VAL_36 HN -1.0 4.5 VAL_36 HB VAL_36 HN -1.0 4.5 VAL_36 HG1* VAL_36 HN -1.0 5.5 ecyp_expt_data.dat Page 10 Residue Atom Residue Atom Lower(A) Upper(A) ASN_37 HN SER_38 HN -1.0 3.0 ASN_37 HA SER_38 HN -1.0 4.5 ASN_37 HB1 SER_38 HN -1.0 4.0 ASN_37 HB2 SER_38 HN -1.0 4.0 ASN_37 HA ASN_37 HN -1.0 4.5 ASN_37 HB1 ASN_37 HN -1.0 4.5 ASN_37 HB2 ASN_37 HN -1.0 4.5 SER_38 HA GLY_39 HN -1.0 4.0 SER_38 HB1 GLY_39 HN -1.0 3.0 SER_38 HB1 SER_38 HN -1.0 4.5 SER_38 HB2 SER_38 HN -1.0 5.5 GLY_39 HN PHE_40 HN -1.0 3.0 GLY_39 HA1 PHE_40 HN -1.0 5.0 GLY_39 HA2 GLY_39 HN -1.0 5.5 PHE_40 HN TYR_41 HN -1.0 4.0 PHE_40 HA ASN_42 HN -1.0 5.0 PHE_40 HB2 TYR_41 HN -1.0 5.0 PHE_40 HD* TYR_41 HN -1.0 6.4 PHE_40 HE* TYR_41 HE* -1.0 7.9 PHE_40 HE* SER_101 HB1 -1.0 6.9 PHE_40 HE* SER_101 HB2 -1.0 6.9 PHE_40 HE* GLN_102 HA -1.0 6.4 PHE_40 HZ GLY_58 HA1 -1.0 5.5 PHE_40 HZ GLY_58 HA2 -1.0 5.5 PHE_40 HZ SER_101 HB2 -1.0 5.5 PHE_40 HZ GLN_102 HA -1.0 4.5 PHE_40 HB1 PHE_40 HN -1.0 5.5 PHE_40 HB2 PHE_40 HN -1.0 4.5 TYR_41 HA ASN_42 HN -1.0 4.5 TYR_41 HA ILE_159 HG2* -1.0 5.5 TYR_41 HB1 ALA_162 HB* -1.0 5.0 TYR_41 HB1 ILE_159 HG2* -1.0 5.5 TYR_41 HB2 ALA_162 HB* -1.0 4.0 TYR_41 HB2 ILE_159 HG2* -1.0 4.0 TYR_41 HD* ASN_42 HN -1.0 6.9 TYR_41 HD* THR_44 HG2* -1.0 7.9 TYR_41 HD* ALA_162 HB* -1.0 6.4 TYR_41 HD* ILE_159 HG2* -1.0 6.9 TYR_41 HD* ILE_159 HD1* -1.0 7.9 TYR_41 HD* GLY_58 HA1 -1.0 6.4 TYR_41 HD* GLY_58 HA2 -1.0 6.4 TYR_41 HE* GLY_58 HA1 -1.0 6.4 TYR_41 HE* GLY_58 HA2 -1.0 6.4 TYR_41 HE* SER_101 HB2 -1.0 7.4 TYR_41 HE* ALA_162 HB* -1.0 7.9 TYR_41 HB1 TYR_41 HN -1.0 3.5 TYR_41 HB2 TYR_41 HN -1.0 4.5 ASN_42 HN ASN_43 HN -1.0 4.5 ASN_42 HN ALA_162 HB* -1.0 5.5 ASN_42 HA ASN_43 HN -1.0 3.5 ASN_42 HA SER_161 HA -1.0 3.0 ASN_42 HA ILE_159 HG2* -1.0 5.0 ASN_42 HB1 ASN_43 HN -1.0 4.5 ASN_42 HB2 ASN_43 HN -1.0 4.5 ASN_42 HA ASN_42 HN -1.0 3.5 ASN_42 HB1 ASN_42 HN -1.0 4.5 ecyp_expt_data.dat Page 11 Residue Atom Residue Atom Lower(A) Upper(A) ASN_42 HB2 ASN_42 HN -1.0 4.5 ASN_43 HN THR_44 HN -1.0 3.0 ASN_43 HA THR_44 HN -1.0 3.0 ASN_43 HA VAL_158 HG* -1.0 6.9 ASN_43 HB1 THR_44 HN -1.0 4.5 ASN_43 HB1 VAL_158 HG* -1.0 6.4 ASN_43 HB2 VAL_158 HG* -1.0 7.4 THR_44 HN ILE_159 HD1* -1.0 5.5 THR_44 HN ILE_159 HG2* -1.0 4.5 THR_44 HN ILE_159 HB -1.0 4.5 THR_44 HA THR_45 HN -1.0 4.0 THR_44 HA THR_61 HA -1.0 4.0 THR_44 HA THR_61 HG2* -1.0 5.5 THR_44 HB THR_45 HN -1.0 3.0 THR_44 HB THR_61 HA -1.0 4.5 THR_44 HG2* THR_45 HN -1.0 5.0 THR_44 HG2* THR_44 HN -1.0 4.5 THR_44 HA THR_44 HN -1.0 4.5 THR_45 HN HIS_47 HN -1.0 5.0 THR_45 HA PHE_46 HN -1.0 3.0 THR_45 HA VAL_158 HA -1.0 3.0 THR_45 HA VAL_158 HG* -1.0 5.4 THR_45 HA ILE_159 HN -1.0 3.0 THR_45 HA ILE_159 HD1* -1.0 5.5 THR_45 HA ILE_159 HG2* -1.0 5.0 THR_45 HB PHE_46 HN -1.0 3.0 THR_45 HB VAL_158 HA -1.0 5.0 THR_45 HB ILE_159 HD1* -1.0 5.5 THR_45 HG2* PHE_46 HN -1.0 4.0 THR_45 HG2* GLU_62 HA -1.0 4.0 THR_45 HG2* GLU_62 HB1 -1.0 5.5 THR_45 HG2* GLU_62 HB2 -1.0 5.5 THR_45 HG2* VAL_158 HA -1.0 5.5 THR_45 HG2* VAL_158 HB -1.0 6.0 THR_45 HG2* ILE_159 HN -1.0 5.5 THR_45 HG2* THR_45 HN -1.0 4.5 THR_45 HA THR_45 HN -1.0 4.5 THR_45 HB THR_45 HN -1.0 4.5 PHE_46 HN VAL_158 HA -1.0 4.5 PHE_46 HN HIS_47 HN -1.0 5.0 PHE_46 HA HIS_47 HN -1.0 3.0 PHE_46 HA GLY_57 HA1 -1.0 4.0 PHE_46 HA GLY_57 HA2 -1.0 4.0 PHE_46 HB2 HIS_47 HN -1.0 5.0 PHE_46 HB2 PHE_46 HN -1.0 4.5 PHE_46 HB2 VAL_157 HG1* -1.0 5.5 PHE_46 HB1 HIS_47 HN -1.0 5.0 PHE_46 HB1 VAL_157 HG1* -1.0 5.5 PHE_46 HD* ILE_55 HD1* -1.0 6.4 PHE_46 HD* GLN_56 HN -1.0 6.9 PHE_46 HD* GLY_57 HA2 -1.0 6.9 PHE_46 HD* PHE_103 HE* -1.0 9.3 PHE_46 HD* ILE_105 HD1* -1.0 7.9 PHE_46 HD* ILE_138 HD1* -1.0 6.4 PHE_46 HD* ILE_138 HG2* -1.0 7.4 PHE_46 HD* VAL_157 HB -1.0 6.9 ecyp_expt_data.dat Page 12 Residue Atom Residue Atom Lower(A) Upper(A) PHE_46 HD* VAL_157 HG2* -1.0 6.4 PHE_46 HD* VAL_157 HG1* -1.0 7.9 PHE_46 HD* ILE_159 HA -1.0 6.9 PHE_46 HD* ILE_159 HD1* -1.0 6.4 PHE_46 HE* ILE_55 HD1* -1.0 6.4 PHE_46 HE* PHE_103 HE* -1.0 8.8 PHE_46 HE* ILE_105 HD1* -1.0 7.9 PHE_46 HE* ILE_138 HD1* -1.0 7.4 PHE_46 HE* VAL_157 HG2* -1.0 7.9 PHE_46 HE* ILE_159 HD1* -1.0 7.4 PHE_46 HE* ILE_159 HG11 -1.0 7.9 PHE_46 HE* ILE_159 HG12 -1.0 7.9 PHE_46 HB1 PHE_46 HN -1.0 4.5 HIS_47 HN ARG_48 HN -1.0 4.5 HIS_47 HB1 MET_64 HE* -1.0 6.5 HIS_47 HB2 MET_64 HE* -1.0 5.0 HIS_47 HD2 MET_64 HE* -1.0 4.0 HIS_47 HD2 TYR_149 HD* -1.0 6.9 HIS_47 HD2 VAL_152 HG1* -1.0 5.5 HIS_47 HE1 GLY_57 HA1 -1.0 5.0 HIS_47 HE1 GLY_57 HA2 -1.0 4.5 HIS_47 HA HIS_47 HN -1.0 4.5 ARG_48 HA VAL_49 HN -1.0 4.0 ARG_48 HN VAL_49 HN -1.0 5.0 ARG_48 HN GLN_56 HN -1.0 5.0 VAL_49 HN ASN_151 HA -1.0 4.5 VAL_49 HN ASN_151 HB1 -1.0 4.5 VAL_49 HN ASN_151 HB2 -1.0 4.5 VAL_49 HG1* VAL_49 HN -1.0 5.9 VAL_49 HG2* VAL_49 HN -1.0 6.9 VAL_49 HB VAL_49 HN -1.0 4.5 ILE_50 HA PRO_51 HD* -1.0 4.0 ILE_50 HG2* PRO_51 HD* -1.0 6.5 ILE_50 HG2* PHE_53 HA -1.0 6.0 ILE_50 HG2* PHE_53 HB2 -1.0 5.5 ILE_50 HG2* PHE_53 HB1 -1.0 5.5 ILE_50 HG2* PHE_53 HD* -1.0 7.8 ILE_50 HG2* MET_54 HE* -1.0 6.5 ILE_50 HD1* PRO_51 HD* -1.0 7.0 ILE_50 HD1* MET_54 HE* -1.0 5.0 ILE_50 HD1* PHE_53 HD* -1.0 6.4 ILE_50 HD1* PHE_53 HB2 -1.0 5.0 ILE_50 HD1* PHE_53 HB1 -1.0 5.5 PRO_51 HA GLY_52 HN -1.0 3.0 PRO_51 HA SER_139 HB1 -1.0 5.5 PRO_51 HA SER_139 HB2 -1.0 5.0 PRO_51 HB1 GLY_52 HN -1.0 4.5 PRO_51 HB2 GLY_52 HN -1.0 5.0 GLY_52 HN PHE_53 HN -1.0 4.0 GLY_52 HA1 PHE_53 HN -1.0 4.5 GLY_52 HA2 PHE_53 HN -1.0 5.0 GLY_52 HA1 GLY_52 HN -1.0 4.5 PHE_53 HN MET_54 HN -1.0 3.0 PHE_53 HA MET_54 HN -1.0 4.5 PHE_53 HA VAL_107 HG1* -1.0 6.0 PHE_53 HA ALA_108 HB* -1.0 4.0 ecyp_expt_data.dat Page 13 Residue Atom Residue Atom Lower(A) Upper(A) PHE_53 HB2 MET_54 HN -1.0 4.0 PHE_53 HB1 MET_54 HN -1.0 4.0 PHE_53 HD* MET_54 HN -1.0 6.9 PHE_53 HD* MET_54 HE* -1.0 6.4 PHE_53 HD* ALA_108 HB* -1.0 6.4 PHE_53 HE* LEU_113 HD1* -1.0 7.9 PHE_53 HE* LEU_113 HD2* -1.0 7.9 PHE_53 HA PHE_53 HN -1.0 4.5 PHE_53 HB1 PHE_53 HN -1.0 4.5 PHE_53 HB2 PHE_53 HN -1.0 3.5 MET_54 HN VAL_107 HG1* -1.0 5.5 MET_54 HN VAL_107 HG2* -1.0 6.0 MET_54 HA PHE_104 HD* -1.0 6.9 MET_54 HA ASN_106 HA -1.0 4.5 MET_54 HA VAL_107 HN -1.0 4.5 MET_54 HA VAL_107 HG1* -1.0 5.4 MET_54 HA VAL_107 HG2* -1.0 6.4 MET_54 HA ALA_108 HN -1.0 4.5 MET_54 HB1 ILE_55 HN -1.0 4.5 MET_54 HB2 ILE_55 HN -1.0 4.5 ILE_55 HA GLN_56 HN -1.0 4.0 ILE_55 HB GLN_56 HN -1.0 5.0 ILE_55 HG2* GLN_56 HN -1.0 5.5 ILE_55 HN ILE_105 HN -1.0 4.5 ILE_55 HN ASN_106 HA -1.0 4.5 ILE_55 HG2* SER_139 HB1 -1.0 4.0 ILE_55 HG2* SER_139 HB2 -1.0 4.0 ILE_55 HD1* ILE_105 HG2* -1.0 5.0 ILE_55 HD1* ILE_105 HD1* -1.0 5.0 ILE_55 HD1* VAL_107 HG2* -1.0 6.0 ILE_55 HD1* MET_132 HE* -1.0 6.5 ILE_55 HD1* ALA_135 HA -1.0 4.0 ILE_55 HD1* ALA_135 HB* -1.0 5.0 ILE_55 HD1* ILE_138 HG2* -1.0 6.0 ILE_55 HD1* SER_139 HN -1.0 5.5 ILE_55 HD1* SER_139 HB2 -1.0 5.5 ILE_55 HA ILE_55 HN -1.0 4.5 GLN_56 HN GLY_57 HN -1.0 5.0 GLN_56 HA GLY_57 HN -1.0 4.0 GLN_56 HA ILE_105 HN -1.0 4.5 GLN_56 HA PHE_104 HA -1.0 3.0 GLN_56 HA PHE_104 HB1 -1.0 5.5 GLN_56 HA PHE_104 HB2 -1.0 5.0 GLN_56 HA PHE_104 HD* -1.0 6.9 GLN_56 HB1 PHE_104 HA -1.0 4.5 GLN_56 HB1 ILE_105 HN -1.0 4.5 GLN_56 HB1 GLN_56 HN -1.0 4.5 GLY_57 HN PHE_103 HN -1.0 4.5 GLY_57 HN PHE_103 HE* -1.0 7.4 GLY_57 HN PHE_103 HZ -1.0 4.5 GLY_57 HN PHE_104 HA -1.0 4.5 GLY_57 HA1 GLY_58 HN -1.0 5.5 GLY_57 HA1 GLY_57 HN -1.0 5.5 GLY_58 HN PHE_103 HE* -1.0 6.9 GLY_58 HA1 GLY_58 HN -1.0 5.5 GLY_59 HN PHE_60 HN -1.0 4.5 ecyp_expt_data.dat Page 14 Residue Atom Residue Atom Lower(A) Upper(A) GLY_59 HN PHE_60 HD* -1.0 7.4 GLY_59 HA1 PHE_60 HD* -1.0 6.9 PHE_60 HA THR_61 HN -1.0 3.0 PHE_60 HA MET_64 HA -1.0 4.5 PHE_60 HA GLN_66 HA -1.0 3.0 PHE_60 HA LYS_67 HN -1.0 4.0 PHE_60 HB1 THR_61 HN -1.0 5.0 PHE_60 HB1 MET_64 HA -1.0 5.5 PHE_60 HB2 THR_61 HN -1.0 5.0 PHE_60 HB2 MET_64 HN -1.0 4.5 PHE_60 HB2 MET_64 HA -1.0 5.5 PHE_60 HD* HIS_47 HE1 -1.0 6.4 PHE_60 HD* HIS_47 HD2 -1.0 6.9 PHE_60 HD* THR_61 HN -1.0 7.4 PHE_60 HD* MET_64 HN -1.0 7.4 PHE_60 HD* MET_64 HA -1.0 5.4 PHE_60 HD* MET_64 HE* -1.0 6.4 PHE_60 HD* GLN_65 HA -1.0 6.9 PHE_60 HD* GLN_66 HN -1.0 7.4 PHE_60 HD* GLN_66 HA -1.0 6.4 PHE_60 HE* HIS_47 HE1 -1.0 6.9 PHE_60 HE* HIS_47 HD2 -1.0 5.4 PHE_60 HE* MET_64 HA -1.0 6.9 PHE_60 HE* GLN_66 HN -1.0 7.4 PHE_60 HE* GLN_66 HA -1.0 6.9 PHE_60 HZ TYR_149 HE* -1.0 6.4 PHE_60 HB1 PHE_60 HN -1.0 5.5 PHE_60 HB2 PHE_60 HN -1.0 5.5 THR_61 HN MET_64 HN -1.0 5.0 THR_61 HN GLN_65 HN -1.0 4.0 THR_61 HN GLN_66 HA -1.0 4.5 THR_61 HN LYS_67 HA -1.0 4.5 THR_61 HN LYS_67 HN -1.0 5.0 THR_61 HA GLU_62 HN -1.0 4.5 THR_61 HB GLU_62 HN -1.0 4.5 THR_61 HB GLN_65 HN -1.0 5.0 THR_61 HG2* GLU_62 HN -1.0 5.5 THR_61 HG2* GLN_65 HN -1.0 5.5 THR_61 HG2* THR_61 HN -1.0 4.5 THR_61 HA THR_61 HN -1.0 4.5 GLU_62 HA THR_45 HB -1.0 4.5 GLU_62 HA MET_64 HN -1.0 5.0 GLU_62 HA VAL_158 HG* -1.0 6.4 GLU_62 HB1 VAL_158 HG* -1.0 7.4 GLU_62 HB2 VAL_158 HG* -1.0 7.4 GLU_62 HA GLU_62 HN -1.0 4.5 GLN_63 HN MET_64 HN -1.0 5.0 GLN_63 HA MET_64 HN -1.0 4.0 GLN_63 HB1 MET_64 HN -1.0 4.5 MET_64 HN GLN_65 HN -1.0 3.0 MET_64 HA GLN_65 HN -1.0 3.0 MET_64 HB1 GLN_65 HN -1.0 4.0 MET_64 HB1 GLN_66 HN -1.0 5.5 MET_64 HB2 GLN_65 HN -1.0 5.5 MET_64 HE* VAL_146 HG2* -1.0 6.0 MET_64 HE* VAL_146 HG1* -1.0 5.0 ecyp_expt_data.dat Page 15 Residue Atom Residue Atom Lower(A) Upper(A) MET_64 HE* TYR_149 HA -1.0 5.5 MET_64 HE* TYR_149 HB1 -1.0 5.0 MET_64 HE* TYR_149 HB2 -1.0 5.0 MET_64 HE* TYR_149 HD* -1.0 6.4 MET_64 HE* TYR_149 HE* -1.0 6.4 MET_64 HE* VAL_152 HG1* -1.0 6.4 MET_64 HE* VAL_152 HG2* -1.0 6.4 MET_64 HA MET_64 HN -1.0 3.5 MET_64 HB2 MET_64 HN -1.0 5.5 GLN_65 HA GLN_66 HN -1.0 3.0 GLN_65 HN GLN_66 HN -1.0 5.0 GLN_65 HB1 GLN_66 HN -1.0 4.5 GLN_65 HB2 GLN_66 HN -1.0 4.5 GLN_65 HA GLN_65 HN -1.0 4.5 GLN_65 HB1 GLN_65 HN -1.0 4.5 GLN_66 HA LYS_67 HN -1.0 3.0 GLN_66 HB1 LYS_67 HN -1.0 4.5 GLN_66 HB2 LYS_67 HN -1.0 3.0 GLN_66 HB2 GLN_66 HN -1.0 4.5 LYS_67 HA LYS_68 HN -1.0 3.0 LYS_67 HB1 LYS_68 HN -1.0 4.5 LYS_67 HB2 LYS_68 HN -1.0 4.5 LYS_67 HA LYS_67 HN -1.0 4.5 LYS_68 HA PRO_69 HD1 -1.0 4.0 LYS_68 HA PRO_69 HD2 -1.0 4.0 PRO_69 HA THR_100 HB -1.0 4.0 PRO_69 HA ASN_70 HN -1.0 5.0 PRO_69 HB1 ASN_70 HN -1.0 4.5 PRO_69 HB1 THR_100 HB -1.0 5.0 PRO_69 HB2 ASN_70 HN -1.0 4.5 PRO_69 HB2 THR_100 HB -1.0 4.0 ASN_70 HA PRO_71 HD1 -1.0 4.0 ASN_70 HA PRO_71 HD2 -1.0 4.0 ASN_70 HB1 PRO_71 HD1 -1.0 5.5 ASN_70 HB1 PRO_71 HD2 -1.0 5.5 ASN_70 HB2 PRO_71 HD1 -1.0 5.5 ASN_70 HB2 PRO_71 HD2 -1.0 5.5 ASN_70 HB1 ASN_70 HN -1.0 5.5 ASN_70 HB2 ASN_70 HN -1.0 5.5 PRO_71 HA PRO_72 HD1 -1.0 5.5 PRO_71 HA PRO_72 HD2 -1.0 5.5 PRO_71 HB1 PRO_72 HD1 -1.0 6.5 PRO_71 HB2 PRO_72 HD1 -1.0 6.5 PRO_72 HA ILE_73 HN -1.0 3.0 PRO_72 HA THR_100 HG2* -1.0 4.0 PRO_72 HA THR_100 HA -1.0 4.5 PRO_72 HA THR_100 HB -1.0 4.5 PRO_72 HB1 ILE_73 HN -1.0 5.0 PRO_72 HB1 SER_98 HA -1.0 4.0 PRO_72 HB1 THR_100 HG2* -1.0 6.0 PRO_72 HB2 ILE_73 HN -1.0 5.5 PRO_72 HB2 SER_98 HA -1.0 5.5 PRO_72 HB2 THR_100 HG2* -1.0 6.0 ILE_73 HN THR_100 HG2* -1.0 5.5 ILE_73 HA LYS_74 HN -1.0 3.0 ILE_73 HG2* LYS_74 HN -1.0 5.5 ecyp_expt_data.dat Page 16 Residue Atom Residue Atom Lower(A) Upper(A) ILE_73 HD1* MET_90 HE* -1.0 6.5 ILE_73 HD1* ALA_99 HB* -1.0 5.0 ILE_73 HB LYS_74 HN -1.0 4.5 ILE_73 HG1* LYS_74 HN -1.0 5.5 ILE_73 HG1* ILE_73 HN -1.0 4.5 LYS_74 HN ASN_75 HN -1.0 5.0 LYS_74 HA ASP_97 HA -1.0 4.0 LYS_74 HA ASP_97 HB1 -1.0 5.5 LYS_74 HA ASP_97 HB2 -1.0 5.0 LYS_74 HA ASN_75 HN -1.0 3.0 LYS_74 HB1 VAL_27 HG* -1.0 6.4 LYS_74 HB1 ASN_75 HN -1.0 5.0 LYS_74 HB1 ASP_97 HA -1.0 5.5 LYS_74 HB2 VAL_27 HG* -1.0 6.4 LYS_74 HB2 ASN_75 HN -1.0 3.0 LYS_74 HB2 ASP_97 HA -1.0 5.5 LYS_74 HG* ASN_75 HN -1.0 5.0 LYS_74 HG* VAL_27 HG* -1.0 6.4 ASN_75 HA GLU_76 HN -1.0 3.0 ASN_75 HA ASN_75 HN -1.0 4.5 ASN_75 HB2 ASN_75 HN -1.0 5.5 ASN_75 HB1 ASN_75 HN -1.0 4.5 GLU_76 HN ALA_77 HN -1.0 4.5 GLU_76 HA ALA_77 HN -1.0 4.5 GLU_76 HA ASN_79 HN -1.0 5.0 GLU_76 HB1 ALA_77 HN -1.0 4.5 GLU_76 HB1 GLU_76 HN -1.0 4.5 GLU_76 HB2 GLU_76 HN -1.0 4.5 ALA_77 HN ASP_78 HN -1.0 3.0 ALA_77 HN PHE_120 HD* -1.0 6.9 ALA_77 HN PHE_120 HE* -1.0 6.4 ALA_77 HN ALA_123 HB* -1.0 5.5 ALA_77 HA ASP_78 HN -1.0 4.0 ALA_77 HA ALA_89 HB* -1.0 6.0 ALA_77 HA ALA_123 HA -1.0 3.0 ALA_77 HA ALA_123 HB* -1.0 4.0 ALA_77 HA VAL_124 HN -1.0 5.0 ALA_77 HA VAL_124 HG1* -1.0 6.9 ALA_77 HA VAL_124 HG2* -1.0 6.9 ALA_77 HB* ASP_78 HN -1.0 5.0 ALA_77 HB* HIS_115 HA -1.0 5.5 ALA_77 HB* HIS_115 HB1 -1.0 4.0 ALA_77 HB* HIS_115 HB2 -1.0 4.0 ALA_77 HB* ALA_123 HA -1.0 4.0 ALA_77 HB* ALA_123 HB* -1.0 6.5 ALA_77 HB* TYR_122 HA -1.0 5.5 ALA_77 HB* PHE_120 HD* -1.0 6.4 ALA_77 HB* PHE_120 HE* -1.0 6.4 ALA_77 HB* TYR_122 HN -1.0 5.5 ALA_77 HB* VAL_124 HN -1.0 6.0 ALA_77 HB* ALA_77 HN -1.0 4.5 ASP_78 HN PHE_120 HD* -1.0 6.4 ASP_78 HN PHE_120 HE* -1.0 6.4 ASP_78 HA ASN_79 HN -1.0 4.0 ASP_78 HA HIS_115 HD2 -1.0 4.0 ASP_78 HA HIS_115 HE2 -1.0 4.5 ecyp_expt_data.dat Page 17 Residue Atom Residue Atom Lower(A) Upper(A) ASP_78 HB2 ASN_79 HN -1.0 4.5 ASP_78 HB1 ASN_79 HN -1.0 5.0 ASP_78 HB1 PHE_120 HE* -1.0 6.4 ASP_78 HB1 PHE_120 HD* -1.0 6.9 ASP_78 HA ASP_78 HN -1.0 4.5 ASP_78 HB1 ASP_78 HN -1.0 4.5 ASP_78 HB2 ASP_78 HN -1.0 5.5 ASN_79 HA GLY_80 HN -1.0 4.0 ASN_79 HA LYS_24 HB1 -1.0 5.0 ASN_79 HA LYS_24 HB2 -1.0 5.0 ASN_79 HB1 LYS_24 HB1 -1.0 5.5 ASN_79 HB2 LYS_24 HB2 -1.0 5.5 ASN_79 HA ASN_79 HN -1.0 4.5 ASN_79 HB2 ASN_79 HN -1.0 3.0 GLY_80 HN VAL_124 HG1* -1.0 6.9 GLY_80 HN VAL_124 HG2* -1.0 6.9 GLY_80 HN LEU_81 HN -1.0 3.0 GLY_80 HA1 LEU_81 HN -1.0 5.0 GLY_80 HA2 LEU_81 HN -1.0 4.5 GLY_80 HA2 GLY_80 HN -1.0 4.5 LEU_81 HN ARG_82 HN -1.0 5.0 LEU_81 HA ARG_82 HN -1.0 3.0 LEU_81 HB1 ARG_82 HN -1.0 3.0 LEU_81 HB2 ARG_82 HN -1.0 5.0 LEU_81 HD* VAL_124 HG2* -1.0 7.8 LEU_81 HD* ARG_82 HN -1.0 5.4 LEU_81 HB2 LEU_81 HN -1.0 4.5 ASN_83 HA THR_84 HN -1.0 3.0 ASN_83 HD22 THR_84 HN -1.0 4.5 THR_84 HN ARG_85 HN -1.0 5.0 THR_84 HN THR_87 HN -1.0 4.5 THR_84 HN THR_87 HG2* -1.0 5.0 THR_84 HA ARG_85 HN -1.0 4.5 THR_84 HA ASN_110 HN -1.0 4.0 THR_84 HB ARG_85 HN -1.0 4.5 THR_84 HB THR_87 HG2* -1.0 5.5 THR_84 HG2* ARG_85 HN -1.0 4.0 THR_84 HG2* GLY_86 HN -1.0 5.5 THR_84 HG2* ASP_109 HN -1.0 5.5 THR_84 HG2* THR_84 HN -1.0 4.5 THR_84 HB THR_84 HN -1.0 4.5 ARG_85 HN ALA_108 HN -1.0 5.0 ARG_85 HN ASP_109 HA -1.0 4.0 ARG_85 HN ASN_110 HN -1.0 3.0 ARG_85 HN THR_87 HN -1.0 5.0 ARG_85 HA GLY_86 HN -1.0 3.0 ARG_85 HA THR_87 HN -1.0 3.0 ARG_85 HA ASN_106 HB1 -1.0 5.5 ARG_85 HA ASN_106 HB2 -1.0 5.5 ARG_85 HA ALA_108 HN -1.0 4.5 ARG_85 HA ALA_108 HA -1.0 4.5 ARG_85 HA ARG_85 HN -1.0 4.5 ARG_85 HB* ARG_85 HN -1.0 5.5 GLY_86 HN THR_87 HN -1.0 4.0 GLY_86 HN MET_132 HE* -1.0 5.5 GLY_86 HA1 THR_87 HN -1.0 4.5 ecyp_expt_data.dat Page 18 Residue Atom Residue Atom Lower(A) Upper(A) GLY_86 HA2 THR_87 HN -1.0 4.5 GLY_86 HA1 MET_132 HE* -1.0 6.5 GLY_86 HA1 VAL_128 HG* -1.0 7.9 GLY_86 HA2 MET_132 HE* -1.0 6.5 GLY_86 HA2 VAL_128 HG* -1.0 7.9 GLY_86 HA1 GLY_86 HN -1.0 5.5 GLY_86 HA2 GLY_86 HN -1.0 4.5 THR_87 HN THR_84 HG2* -1.0 6.0 THR_87 HN ILE_88 HN -1.0 5.0 THR_87 HN ASN_106 HB2 -1.0 5.0 THR_87 HA ILE_88 HN -1.0 4.0 THR_87 HA GLY_126 HN -1.0 4.5 THR_87 HA LYS_127 HA -1.0 3.0 THR_87 HB ILE_88 HN -1.0 3.0 THR_87 HB VAL_124 HG1* -1.0 5.4 THR_87 HB VAL_124 HG2* -1.0 5.4 THR_87 HB GLY_126 HN -1.0 4.5 THR_87 HB LYS_127 HA -1.0 4.5 THR_87 HG2* ILE_88 HN -1.0 5.0 THR_87 HG2* VAL_124 HG1* -1.0 7.9 THR_87 HG2* VAL_124 HG2* -1.0 7.9 THR_87 HG2* GLY_126 HN -1.0 5.5 THR_87 HG2* LYS_127 HA -1.0 4.0 THR_87 HG2* THR_87 HN -1.0 4.5 THR_87 HB THR_87 HN -1.0 4.5 THR_87 HA THR_87 HN -1.0 4.5 ILE_88 HN ALA_89 HN -1.0 5.0 ILE_88 HN LYS_127 HB* -1.0 5.5 ILE_88 HA ALA_89 HN -1.0 3.0 ILE_88 HA ASN_106 HN -1.0 4.5 ILE_88 HA ILE_105 HA -1.0 4.0 ILE_88 HA ILE_105 HG2* -1.0 5.5 ILE_88 HB LYS_127 HN -1.0 4.5 ILE_88 HB ALA_89 HN -1.0 3.0 ILE_88 HG2* ALA_89 HN -1.0 6.0 ILE_88 HG2* ILE_105 HA -1.0 5.5 ILE_88 HG2* ILE_105 HD1* -1.0 7.0 ILE_88 HG2* LYS_127 HN -1.0 5.0 ILE_88 HG2* PHE_125 HN -1.0 5.5 ILE_88 HG2* GLY_126 HN -1.0 4.0 ILE_88 HG2* PHE_125 HE* -1.0 7.4 ILE_88 HG2* PHE_125 HD* -1.0 7.9 ILE_88 HG2* PHE_125 HZ -1.0 5.5 ILE_88 HG2* LYS_127 HA -1.0 5.5 ILE_88 HG11 ALA_89 HN -1.0 5.0 ILE_88 HG11 PHE_125 HE* -1.0 5.4 ILE_88 HG11 PHE_125 HZ -1.0 4.5 ILE_88 HG11 LYS_127 HN -1.0 4.5 ILE_88 HG11 PHE_125 HN -1.0 4.5 ILE_88 HG11 PHE_104 HN -1.0 4.5 ILE_88 HG11 GLY_126 HN -1.0 4.5 ILE_88 HG12 PHE_125 HD* -1.0 6.9 ILE_88 HG12 PHE_125 HE* -1.0 6.9 ILE_88 HG12 PHE_125 HZ -1.0 4.5 ILE_88 HG12 LYS_127 HN -1.0 4.0 ILE_88 HG12 PHE_104 HN -1.0 5.0 ecyp_expt_data.dat Page 19 Residue Atom Residue Atom Lower(A) Upper(A) ILE_88 HG12 GLY_126 HN -1.0 4.5 ILE_88 HG12 ALA_89 HN -1.0 4.5 ILE_88 HD1* PHE_104 HN -1.0 5.5 ILE_88 HD1* ALA_89 HN -1.0 5.5 ILE_88 HD1* PHE_103 HB1 -1.0 5.0 ILE_88 HD1* PHE_103 HB2 -1.0 5.0 ILE_88 HD1* PHE_103 HA -1.0 6.0 ILE_88 HD1* PHE_103 HD* -1.0 6.4 ILE_88 HD1* ILE_105 HA -1.0 5.5 ILE_88 HD1* ILE_105 HD1* -1.0 6.0 ILE_88 HD1* ILE_105 HG2* -1.0 6.5 ILE_88 HD1* PHE_125 HE* -1.0 7.4 ILE_88 HD1* PHE_125 HZ -1.0 5.0 ILE_88 HA ILE_88 HN -1.0 4.5 ILE_88 HB ILE_88 HN -1.0 3.5 ILE_88 HG2* ILE_88 HN -1.0 4.5 ALA_89 HN MET_90 HN -1.0 5.0 ALA_89 HN PHE_104 HN -1.0 3.0 ALA_89 HN ILE_105 HA -1.0 5.0 ALA_89 HA MET_90 HN -1.0 3.0 ALA_89 HA VAL_124 HA -1.0 3.0 ALA_89 HA VAL_124 HG1* -1.0 6.9 ALA_89 HA PHE_125 HN -1.0 4.0 ALA_89 HA PHE_125 HD* -1.0 5.4 ALA_89 HA PHE_125 HE* -1.0 6.4 ALA_89 HA GLY_126 HN -1.0 4.5 ALA_89 HB* MET_90 HN -1.0 4.0 ALA_89 HB* VAL_124 HA -1.0 4.0 ALA_89 HB* VAL_124 HG1* -1.0 6.4 ALA_89 HB* VAL_124 HG2* -1.0 6.4 ALA_89 HB* PHE_104 HZ -1.0 5.5 ALA_89 HB* PHE_104 HE* -1.0 6.4 ALA_89 HB* TYR_122 HB1 -1.0 5.0 ALA_89 HB* TYR_122 HB2 -1.0 5.0 ALA_89 HB* TYR_122 HD* -1.0 7.4 ALA_89 HB* ALA_123 HB* -1.0 6.0 ALA_89 HB* ALA_89 HN -1.0 4.5 ALA_89 HA ALA_89 HN -1.0 4.5 MET_90 HN VAL_124 HN -1.0 5.0 MET_90 HN PHE_125 HE* -1.0 6.9 MET_90 HN PHE_125 HD* -1.0 6.4 MET_90 HA ALA_91 HN -1.0 3.0 MET_90 HA ALA_99 HB* -1.0 5.5 MET_90 HA PHE_104 HN -1.0 4.5 MET_90 HA PHE_103 HA -1.0 3.0 MET_90 HA PHE_103 HB1 -1.0 5.5 MET_90 HA PHE_103 HB2 -1.0 5.5 MET_90 HA VAL_124 HN -1.0 5.0 MET_90 HA PHE_125 HE* -1.0 6.9 MET_90 HB1 ALA_91 HN -1.0 5.5 MET_90 HE* PHE_103 HA -1.0 5.0 MET_90 HE* ALA_99 HB* -1.0 5.0 MET_90 HE* THR_100 HA -1.0 5.5 MET_90 HE* THR_100 HN -1.0 5.5 MET_90 HE* SER_101 HA -1.0 4.0 MET_90 HB2 MET_90 HN -1.0 5.5 ecyp_expt_data.dat Page 20 Residue Atom Residue Atom Lower(A) Upper(A) ALA_91 HA ARG_92 HN -1.0 4.5 ALA_91 HA PHE_104 HD* -1.0 6.4 ALA_91 HA PHE_104 HE* -1.0 6.4 ALA_91 HA TYR_122 HD* -1.0 6.4 ALA_91 HA TYR_122 HE* -1.0 6.4 ALA_91 HN PHE_103 HA -1.0 4.0 ALA_91 HB* ARG_92 HN -1.0 5.5 ALA_91 HB* GLN_102 HB* -1.0 5.0 ARG_92 HA ALA_99 HA -1.0 4.0 ARG_92 HA ALA_99 HB* -1.0 5.5 THR_93 HB ALA_94 HN -1.0 4.5 ALA_94 HA ASP_95 HN -1.0 4.5 ALA_94 HB* ASP_95 HN -1.0 4.0 ALA_94 HB* ALA_94 HN -1.0 4.5 ASP_95 HB* SER_98 HN -1.0 6.0 ASP_95 HB* SER_98 HA -1.0 6.0 ASP_95 HB* SER_98 HB1 -1.0 4.0 ASP_95 HB* SER_98 HB2 -1.0 5.0 ASP_95 HB* ASP_95 HN -1.0 4.5 ASP_97 HN SER_98 HN -1.0 4.5 ASP_97 HA SER_98 HN -1.0 4.5 ASP_97 HB2 SER_98 HN -1.0 4.5 ASP_97 HB1 ASP_97 HN -1.0 4.5 ASP_97 HB2 ASP_97 HN -1.0 4.5 SER_98 HN ALA_99 HN -1.0 4.5 SER_98 HA ALA_99 HN -1.0 4.5 SER_98 HA SER_98 HN -1.0 3.5 SER_98 HB2 SER_98 HN -1.0 5.5 ALA_99 HN THR_100 HN -1.0 4.5 ALA_99 HA THR_100 HN -1.0 3.0 ALA_99 HB* THR_100 HN -1.0 5.0 ALA_99 HB* ALA_99 HN -1.0 4.5 THR_100 HA SER_101 HN -1.0 4.5 THR_100 HB ASN_70 HB1 -1.0 5.5 THR_100 HB SER_101 HN -1.0 4.0 THR_100 HG2* SER_101 HN -1.0 5.5 SER_101 HN GLN_102 HN -1.0 4.5 SER_101 HB1 SER_101 HN -1.0 5.5 GLN_102 HA PHE_103 HN -1.0 3.0 GLN_102 HB* PHE_103 HN -1.0 5.5 PHE_103 HN PHE_104 HN -1.0 5.0 PHE_103 HN PHE_104 HD* -1.0 6.4 PHE_103 HA PHE_104 HN -1.0 3.0 PHE_103 HB1 PHE_104 HN -1.0 4.5 PHE_103 HB2 PHE_104 HN -1.0 5.0 PHE_103 HD* PHE_104 HN -1.0 6.4 PHE_103 HZ ILE_88 HD1* -1.0 5.5 PHE_103 HD* ILE_88 HG2* -1.0 7.4 PHE_103 HE* ILE_88 HD1* -1.0 6.4 PHE_103 HE* ILE_159 HD1* -1.0 7.9 PHE_103 HB2 PHE_103 HN -1.0 5.5 PHE_104 HN PHE_125 HE* -1.0 6.9 PHE_104 HA ILE_105 HN -1.0 3.0 PHE_104 HB2 ILE_105 HN -1.0 5.0 PHE_104 HD* TYR_122 HD* -1.0 9.3 PHE_104 HD* ILE_105 HN -1.0 7.4 ecyp_expt_data.dat Page 21 Residue Atom Residue Atom Lower(A) Upper(A) PHE_104 HE* TYR_122 HN -1.0 6.9 PHE_104 HE* TYR_122 HD* -1.0 7.8 PHE_104 HE* TYR_122 HA -1.0 7.4 PHE_104 HZ TYR_122 HA -1.0 4.5 PHE_104 HZ TYR_122 HB1 -1.0 5.5 PHE_104 HZ TYR_122 HB2 -1.0 5.0 PHE_104 HZ TYR_122 HD* -1.0 5.4 PHE_104 HE* LEU_113 HD2* -1.0 6.4 PHE_104 HZ LEU_113 HD2* -1.0 4.0 ILE_105 HA ASN_106 HN -1.0 4.0 ILE_105 HB ASN_106 HN -1.0 4.5 ILE_105 HG2* ASN_106 HN -1.0 4.0 ILE_105 HG2* ALA_135 HB* -1.0 5.0 ILE_105 HG2* MET_132 HE* -1.0 5.0 ILE_105 HD1* PHE_103 HE* -1.0 7.9 ILE_105 HB ILE_105 HN -1.0 5.5 ASN_106 HN VAL_107 HN -1.0 5.0 ASN_106 HB2 ALA_108 HN -1.0 5.0 ASN_106 HB1 ASN_106 HN -1.0 5.5 ASN_106 HB2 ASN_106 HN -1.0 5.5 VAL_107 HN ALA_108 HN -1.0 3.0 VAL_107 HA ALA_108 HN -1.0 4.0 VAL_107 HB ALA_108 HN -1.0 4.5 VAL_107 HG1* ALA_108 HN -1.0 5.0 VAL_107 HG1* MET_132 HE* -1.0 6.4 VAL_107 HG2* ALA_108 HN -1.0 5.5 VAL_107 HG2* MET_132 HE* -1.0 6.4 VAL_107 HG2* ALA_135 HB* -1.0 6.4 VAL_107 HG2* SER_139 HB1 -1.0 6.4 VAL_107 HG2* SER_139 HB2 -1.0 6.4 VAL_107 HB VAL_107 HN -1.0 4.5 VAL_107 HG1* VAL_107 HN -1.0 5.9 VAL_107 HG2* VAL_107 HN -1.0 5.9 ALA_108 HN ASP_109 HN -1.0 5.0 ALA_108 HA ASP_109 HN -1.0 3.0 ALA_108 HB* ASP_109 HN -1.0 4.0 ALA_108 HB* ALA_108 HN -1.0 5.5 ASP_109 HA ASN_110 HN -1.0 3.0 ASP_109 HB2 ASN_110 HN -1.0 4.5 ASP_109 HB1 ASN_110 HN -1.0 4.5 ASP_109 HB1 ASP_109 HN -1.0 4.5 ASP_109 HB2 ASP_109 HN -1.0 4.5 ASN_110 HN PHE_112 HD* -1.0 6.9 ASN_110 HN ALA_111 HN -1.0 5.0 ASN_110 HA ALA_111 HN -1.0 4.5 ASN_110 HA LEU_113 HD2* -1.0 6.9 ASN_110 HB1 ALA_111 HN -1.0 5.0 ASN_110 HA PHE_112 HD* -1.0 6.9 ASN_110 HA PHE_112 HE* -1.0 6.9 ASN_110 HA PHE_112 HZ -1.0 4.5 ASN_110 HA ASN_110 HN -1.0 4.5 ASN_110 HB1 ASN_110 HN -1.0 5.5 ASN_110 HB2 ASN_110 HN -1.0 5.5 ALA_111 HN PHE_112 HN -1.0 4.5 ALA_111 HN LEU_113 HN -1.0 5.0 ALA_111 HA PHE_112 HN -1.0 4.5 ecyp_expt_data.dat Page 22 Residue Atom Residue Atom Lower(A) Upper(A) ALA_111 HA LEU_113 HN -1.0 5.0 ALA_111 HA ASP_114 HN -1.0 4.0 ALA_111 HB* ASP_114 HN -1.0 5.0 ALA_111 HB* PHE_112 HN -1.0 4.0 ALA_111 HB* LEU_113 HN -1.0 5.5 ALA_111 HA ALA_111 HN -1.0 3.5 PHE_112 HA LEU_113 HN -1.0 4.5 PHE_112 HD* LEU_113 HN -1.0 6.9 PHE_112 HD* LEU_113 HD1* -1.0 6.9 PHE_112 HA PHE_112 HN -1.0 4.5 PHE_112 HB1 PHE_112 HN -1.0 5.5 LEU_113 HN ASP_114 HN -1.0 4.0 LEU_113 HA ASP_114 HN -1.0 4.5 LEU_113 HD1* ASP_114 HN -1.0 6.0 LEU_113 HD2* ASP_114 HN -1.0 6.0 LEU_113 HB* ASP_114 HN -1.0 6.0 LEU_113 HA TYR_122 HD* -1.0 6.4 LEU_113 HA TYR_122 HE* -1.0 6.9 LEU_113 HD1* TYR_122 HD* -1.0 7.8 LEU_113 HD1* TYR_122 HE* -1.0 8.8 LEU_113 HD2* TYR_122 HD* -1.0 8.8 LEU_113 HB* LEU_113 HN -1.0 5.5 ASP_114 HA HIS_115 HN -1.0 4.5 ASP_114 HB* HIS_115 HN -1.0 4.0 ASP_114 HB* ASP_114 HN -1.0 4.0 ASP_114 HA ASP_114 HN -1.0 4.5 HIS_115 HA GLY_116 HN -1.0 3.0 HIS_115 HB1 GLY_116 HN -1.0 4.5 HIS_115 HB2 GLY_116 HN -1.0 5.0 HIS_115 HA HIS_115 HN -1.0 4.5 HIS_115 HB2 HIS_115 HN -1.0 5.5 GLY_116 HA1 GLY_116 HN -1.0 5.5 PHE_120 HB1 GLY_121 HN -1.0 5.0 GLY_121 HA1 TYR_122 HD* -1.0 6.4 GLY_121 HA1 TYR_122 HN -1.0 4.5 GLY_121 HA2 TYR_122 HD* -1.0 7.9 GLY_121 HA2 TYR_122 HN -1.0 5.0 GLY_121 HA1 GLY_121 HN -1.0 5.5 GLY_121 HA2 GLY_121 HN -1.0 5.5 TYR_122 HA ALA_123 HN -1.0 3.0 TYR_122 HB1 TYR_122 HN -1.0 5.5 ALA_123 HA VAL_124 HN -1.0 3.0 ALA_123 HB* VAL_124 HN -1.0 5.5 ALA_123 HB* ALA_123 HN -1.0 4.5 VAL_124 HA PHE_125 HN -1.0 3.0 VAL_124 HA PHE_125 HD* -1.0 6.4 VAL_124 HG1* PHE_125 HN -1.0 6.9 VAL_124 HG2* PHE_125 HN -1.0 6.4 VAL_124 HG2* GLY_126 HN -1.0 5.4 VAL_124 HG1* VAL_124 HN -1.0 6.9 VAL_124 HB VAL_124 HN -1.0 4.5 PHE_125 HN GLY_126 HN -1.0 3.0 PHE_125 HA GLY_126 HN -1.0 4.5 PHE_125 HD* GLY_126 HN -1.0 6.4 PHE_125 HE* GLY_126 HN -1.0 7.4 PHE_125 HA PHE_125 HN -1.0 4.5 ecyp_expt_data.dat Page 23 Residue Atom Residue Atom Lower(A) Upper(A) GLY_126 HN LYS_127 HN -1.0 4.5 GLY_126 HA1 LYS_127 HN -1.0 3.0 GLY_126 HA2 LYS_127 HN -1.0 3.0 GLY_126 HA1 GLY_126 HN -1.0 5.5 GLY_126 HA2 GLY_126 HN -1.0 5.5 LYS_127 HA VAL_128 HN -1.0 3.0 LYS_127 HB* VAL_128 HN -1.0 4.0 LYS_127 HA LYS_127 HN -1.0 4.5 LYS_127 HB* LYS_127 HN -1.0 5.5 VAL_128 HA VAL_129 HN -1.0 3.0 VAL_128 HA VAL_129 HG1* -1.0 6.9 VAL_128 HA LYS_130 HN -1.0 4.5 VAL_128 HB VAL_129 HN -1.0 4.5 VAL_128 HG* MET_132 HA -1.0 5.4 VAL_128 HG* VAL_129 HN -1.0 6.9 VAL_128 HG* VAL_128 HN -1.0 6.9 VAL_128 HB VAL_128 HN -1.0 3.5 VAL_128 HA VAL_128 HN -1.0 4.5 VAL_129 HN LYS_130 HN -1.0 3.0 VAL_129 HA LYS_130 HN -1.0 4.5 VAL_129 HG1* LYS_130 HN -1.0 5.4 VAL_129 HG2* LYS_130 HN -1.0 6.4 LYS_130 HA GLY_131 HN -1.0 5.5 LYS_130 HA LYS_130 HN -1.0 4.5 GLY_131 HA* VAL_134 HN -1.0 5.5 MET_132 HA ALA_135 HN -1.0 4.5 MET_132 HA ALA_135 HB* -1.0 4.0 MET_132 HE* ARG_85 HA -1.0 5.0 MET_132 HE* ALA_135 HB* -1.0 5.0 MET_132 HA ASP_133 HN -1.0 4.5 MET_132 HB* ASP_133 HN -1.0 5.5 MET_132 HA VAL_134 HN -1.0 5.0 MET_132 HB* MET_132 HN -1.0 4.5 ASP_133 HN VAL_134 HN -1.0 3.0 ASP_133 HA VAL_134 HN -1.0 4.5 ASP_133 HB1 VAL_134 HN -1.0 5.0 ASP_133 HB2 VAL_134 HN -1.0 5.0 ASP_133 HN ALA_135 HN -1.0 5.0 ASP_133 HB1 ASP_133 HN -1.0 5.5 ASP_133 HB2 ASP_133 HN -1.0 5.5 ASP_133 HA ASP_133 HN -1.0 4.5 VAL_134 HN ALA_135 HN -1.0 3.0 VAL_134 HN ASP_136 HN -1.0 4.5 VAL_134 HA ALA_135 HN -1.0 4.5 VAL_134 HA ASP_136 HN -1.0 4.5 VAL_134 HB ALA_135 HN -1.0 3.0 VAL_134 HG2* ALA_135 HN -1.0 5.5 VAL_134 HG2* ILE_138 HD1* -1.0 5.0 VAL_134 HG1* ALA_135 HN -1.0 5.5 VAL_134 HG2* VAL_134 HN -1.0 5.5 VAL_134 HG1* VAL_134 HN -1.0 4.5 VAL_134 HB VAL_134 HN -1.0 3.5 VAL_134 HA VAL_134 HN -1.0 3.5 ALA_135 HA ASP_136 HN -1.0 4.5 ALA_135 HA ILE_138 HN -1.0 4.5 ALA_135 HA ILE_138 HD1* -1.0 4.0 ecyp_expt_data.dat Page 24 Residue Atom Residue Atom Lower(A) Upper(A) ALA_135 HA ILE_138 HG2* -1.0 5.0 ALA_135 HB* ASP_136 HN -1.0 4.0 ALA_135 HN ASP_136 HN -1.0 3.0 ALA_135 HB* ILE_138 HN -1.0 5.5 ALA_135 HB* SER_139 HN -1.0 6.0 ALA_135 HB* ALA_135 HN -1.0 4.0 ALA_135 HA ALA_135 HN -1.0 4.5 ASP_136 HA LYS_137 HN -1.0 4.5 ASP_136 HA SER_139 HN -1.0 4.5 ASP_136 HN LYS_137 HN -1.0 3.0 ASP_136 HN SER_139 HB2 -1.0 5.5 ASP_136 HB1 LYS_137 HN -1.0 3.0 ASP_136 HB2 LYS_137 HN -1.0 3.0 ASP_136 HB1 ASP_136 HN -1.0 5.5 ASP_136 HB2 ASP_136 HN -1.0 4.5 ASP_136 HA ASP_136 HN -1.0 4.5 LYS_137 HN ILE_138 HN -1.0 3.0 LYS_137 HA ILE_138 HN -1.0 4.0 LYS_137 HB* ILE_138 HN -1.0 4.0 LYS_137 HG2 ILE_138 HN -1.0 4.5 LYS_137 HA LYS_137 HN -1.0 3.5 LYS_137 HB* LYS_137 HN -1.0 4.0 ILE_138 HN SER_139 HN -1.0 3.0 ILE_138 HA SER_139 HN -1.0 4.5 ILE_138 HB SER_139 HN -1.0 3.0 ILE_138 HG12 SER_139 HN -1.0 4.5 ILE_138 HA GLN_140 HN -1.0 5.0 ILE_138 HA VAL_141 HN -1.0 4.5 ILE_138 HA VAL_157 HG1* -1.0 5.5 ILE_138 HG2* VAL_157 HG2* -1.0 5.0 ILE_138 HG2* VAL_157 HG1* -1.0 5.0 ILE_138 HD1* VAL_157 HG1* -1.0 5.0 ILE_138 HB ILE_138 HN -1.0 4.5 ILE_138 HG12 ILE_138 HN -1.0 5.5 ILE_138 HD1* ILE_138 HN -1.0 5.5 ILE_138 HA ILE_138 HN -1.0 4.5 SER_139 HN GLN_140 HN -1.0 3.0 SER_139 HN VAL_141 HN -1.0 5.0 SER_139 HA GLN_140 HN -1.0 3.0 SER_139 HA GLN_140 HE21 -1.0 4.5 SER_139 HA GLN_140 HE22 -1.0 4.5 SER_139 HA VAL_141 HN -1.0 4.5 SER_139 HB1 SER_139 HN -1.0 5.5 GLN_140 HN VAL_141 HN -1.0 3.0 GLN_140 HA VAL_141 HN -1.0 4.0 GLN_140 HB1 VAL_141 HN -1.0 4.5 GLN_140 HB2 VAL_141 HN -1.0 4.5 GLN_140 HB1 GLN_140 HN -1.0 5.5 GLN_140 HB2 GLN_140 HN -1.0 4.5 GLN_140 HA GLN_140 HN -1.0 4.5 VAL_141 HA PRO_142 HD1 -1.0 4.0 VAL_141 HA PRO_142 HD2 -1.0 4.0 VAL_141 HB PRO_142 HD1 -1.0 4.0 VAL_141 HB PRO_142 HD2 -1.0 4.0 VAL_141 HG* PRO_142 HD1 -1.0 6.4 VAL_141 HG* PRO_142 HD2 -1.0 6.4 ecyp_expt_data.dat Page 25 Residue Atom Residue Atom Lower(A) Upper(A) VAL_141 HG* VAL_141 HN -1.0 6.9 VAL_141 HB VAL_141 HN -1.0 4.5 PRO_142 HA THR_143 HN -1.0 3.0 PRO_142 HB1 THR_143 HN -1.0 4.5 PRO_142 HB2 THR_143 HN -1.0 3.0 THR_143 HA HIS_144 HN -1.0 4.0 THR_143 HA HIS_144 HD2 -1.0 4.5 THR_143 HA PRO_153 HA -1.0 3.0 THR_143 HA SER_154 HN -1.0 3.0 THR_143 HA SER_154 HA -1.0 4.5 THR_143 HB HIS_144 HN -1.0 3.0 THR_143 HB PRO_153 HA -1.0 5.0 THR_143 HG2* HIS_144 HN -1.0 3.0 THR_143 HG2* PRO_153 HA -1.0 4.0 THR_143 HG2* SER_154 HN -1.0 4.0 THR_143 HG2* LYS_155 HN -1.0 5.5 THR_143 HG2* THR_143 HN -1.0 5.5 THR_143 HA THR_143 HN -1.0 4.5 HIS_144 HN VAL_152 HB -1.0 4.5 HIS_144 HA ASP_145 HN -1.0 3.0 HIS_144 HB* ASP_145 HN -1.0 4.0 HIS_144 HE1 VAL_146 HG2* -1.0 5.0 HIS_144 HE1 VAL_152 HG2* -1.0 6.0 HIS_144 HE1 SER_154 HA -1.0 4.5 HIS_144 HD2 VAL_146 HG2* -1.0 5.0 HIS_144 HD2 VAL_152 HG1* -1.0 6.9 HIS_144 HD2 VAL_152 HG2* -1.0 6.9 HIS_144 HD2 VAL_152 HB -1.0 3.0 HIS_144 HD2 SER_154 HA -1.0 4.0 HIS_144 HD2 SER_154 HB2 -1.0 5.5 HIS_144 HA HIS_144 HN -1.0 4.5 ASP_145 HA VAL_146 HN -1.0 3.0 ASP_145 HA GLN_150 HA -1.0 3.0 ASP_145 HB* VAL_146 HN -1.0 4.0 ASP_145 HB* ASP_145 HN -1.0 4.0 ASP_145 HA ASP_145 HN -1.0 4.5 VAL_146 HA GLY_147 HN -1.0 3.0 VAL_146 HB GLY_147 HN -1.0 5.0 VAL_146 HG2* GLY_147 HN -1.0 4.5 VAL_146 HG2* VAL_152 HB -1.0 4.0 VAL_146 HG2* VAL_152 HG1* -1.0 6.4 VAL_146 HG2* VAL_152 HG2* -1.0 6.4 VAL_146 HG1* GLY_147 HN -1.0 4.0 VAL_146 HG1* TYR_149 HD* -1.0 7.9 VAL_146 HG1* TYR_149 HE* -1.0 8.4 VAL_146 HG1* VAL_152 HG2* -1.0 6.4 VAL_146 HG2* VAL_146 HN -1.0 5.5 VAL_146 HG1* VAL_146 HN -1.0 5.5 VAL_146 HB VAL_146 HN -1.0 4.5 VAL_146 HA VAL_146 HN -1.0 4.5 GLY_147 HA1 PRO_148 HD* -1.0 6.0 GLY_147 HA2 PRO_148 HD* -1.0 6.0 GLY_147 HA1 GLY_147 HN -1.0 4.5 GLY_147 HA2 GLY_147 HN -1.0 5.5 PRO_148 HA TYR_149 HN -1.0 4.5 PRO_148 HB1 TYR_149 HN -1.0 5.0 ecyp_expt_data.dat Page 26 Residue Atom Residue Atom Lower(A) Upper(A) PRO_148 HB2 TYR_149 HN -1.0 5.0 TYR_149 HA GLN_150 HN -1.0 3.0 TYR_149 HB1 GLN_150 HN -1.0 4.5 TYR_149 HB2 GLN_150 HN -1.0 4.5 TYR_149 HD* GLN_150 HN -1.0 6.9 TYR_149 HB1 TYR_149 HN -1.0 3.5 TYR_149 HB2 TYR_149 HN -1.0 4.5 GLN_150 HN ASN_151 HN -1.0 5.0 GLN_150 HA ASN_151 HN -1.0 3.0 GLN_150 HB1 ASN_151 HN -1.0 4.5 GLN_150 HB2 ASN_151 HN -1.0 5.0 ASN_151 HN VAL_152 HN -1.0 4.5 ASN_151 HA VAL_152 HN -1.0 3.0 ASN_151 HA THR_143 HG2* -1.0 5.5 VAL_152 HG1* TYR_149 HD* -1.0 9.3 VAL_152 HG1* VAL_152 HN -1.0 5.4 VAL_152 HG2* VAL_152 HN -1.0 5.4 VAL_152 HB VAL_152 HN -1.0 3.5 PRO_153 HA LYS_155 HN -1.0 4.5 PRO_153 HA SER_154 HN -1.0 3.0 PRO_153 HB* SER_154 HN -1.0 5.5 SER_154 HN LYS_155 HN -1.0 3.0 SER_154 HA LYS_155 HN -1.0 4.5 SER_154 HB1 LYS_155 HN -1.0 4.5 SER_154 HB2 LYS_155 HN -1.0 4.5 SER_154 HB1 SER_154 HN -1.0 5.5 SER_154 HB2 SER_154 HN -1.0 5.5 SER_154 HA SER_154 HN -1.0 4.5 LYS_155 HA PRO_156 HD1 -1.0 4.0 LYS_155 HA PRO_156 HD2 -1.0 4.0 LYS_155 HB1 LYS_155 HN -1.0 5.5 LYS_155 HB2 LYS_155 HN -1.0 5.5 PRO_156 HA VAL_157 HN -1.0 3.0 PRO_156 HB1 VAL_157 HN -1.0 5.5 PRO_156 HB2 VAL_157 HN -1.0 5.0 VAL_157 HA VAL_158 HN -1.0 3.0 VAL_157 HB VAL_158 HN -1.0 5.0 VAL_157 HG2* VAL_158 HN -1.0 5.5 VAL_157 HG2* VAL_157 HN -1.0 5.5 VAL_157 HG1* VAL_158 HN -1.0 5.5 VAL_157 HG1* VAL_157 HN -1.0 4.5 VAL_157 HB VAL_157 HN -1.0 4.5 VAL_158 HA ILE_159 HN -1.0 3.0 VAL_158 HB ILE_159 HN -1.0 4.5 VAL_158 HG* ILE_159 HN -1.0 5.4 VAL_158 HG* VAL_158 HN -1.0 5.4 VAL_158 HB VAL_158 HN -1.0 4.5 VAL_158 HA VAL_158 HN -1.0 4.5 ILE_159 HA LEU_160 HN -1.0 3.0 ILE_159 HG2* SER_161 HN -1.0 4.0 ILE_159 HG2* LEU_160 HN -1.0 5.0 ILE_159 HD1* LEU_160 HN -1.0 5.5 ILE_159 HD1* ALA_162 HB* -1.0 6.5 ILE_159 HA SER_161 HN -1.0 4.0 ILE_159 HG11 ILE_159 HN -1.0 4.5 ILE_159 HG12 ILE_159 HN -1.0 5.5 ecyp_expt_data.dat Page 27 Residue Atom Residue Atom Lower(A) Upper(A) ILE_159 HB ILE_159 HN -1.0 4.5 ILE_159 HD1* ILE_159 HN -1.0 5.5 LEU_160 HN SER_161 HN -1.0 3.0 LEU_160 HA SER_161 HN -1.0 4.5 LEU_160 HB* SER_161 HN -1.0 5.5 LEU_160 HD* SER_161 HN -1.0 5.4 LEU_160 HD* LEU_160 HN -1.0 6.9 LEU_160 HB* LEU_160 HN -1.0 5.5 SER_161 HA ALA_162 HN -1.0 3.0 SER_161 HB* ALA_162 HN -1.0 5.5 SER_161 HA SER_161 HN -1.0 4.5 SER_161 HB* SER_161 HN -1.0 5.5 ALA_162 HN LYS_163 HN -1.0 4.5 ALA_162 HA LYS_163 HN -1.0 3.0 ALA_162 HB* LYS_163 HN -1.0 4.0 ALA_162 HB* ALA_162 HN -1.0 4.5 ALA_162 HA ALA_162 HN -1.0 4.5 LYS_163 HN VAL_164 HN -1.0 4.5 LYS_163 HA VAL_164 HN -1.0 3.0 LYS_163 HB1 VAL_164 HN -1.0 5.0 LYS_163 HB2 VAL_164 HN -1.0 5.0 LYS_163 HB1 LYS_163 HN -1.0 4.5 LYS_163 HB2 LYS_163 HN -1.0 5.5 VAL_164 HN LEU_165 HN -1.0 5.0 VAL_164 HA LEU_165 HN -1.0 3.0 VAL_164 HB LEU_165 HN -1.0 3.0 VAL_164 HG* LEU_165 HN -1.0 5.4 VAL_164 HG* VAL_164 HN -1.0 5.9 VAL_164 HB VAL_164 HN -1.0 3.5 LEU_165 HA PRO_166 HD1 -1.0 4.0 LEU_165 HA PRO_166 HD2 -1.0 4.0 LEU_165 HD* PRO_166 HD1 -1.0 6.4 LEU_165 HD* PRO_166 HD2 -1.0 6.4 LEU_165 HD* LEU_165 HN -1.0 6.9 LEU_165 HB* LEU_165 HN -1.0 4.5
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