data_2384 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H NMR-Based Determination of the Secondary Structure of Porcine Pancreatic Spasmolytic Polypeptide: One of a New Family of "Trefoil" Motif Containing Cell Growth Factors ; _BMRB_accession_number 2384 _BMRB_flat_file_name bmr2384.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Carr Mark D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 525 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-16 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Carr, Mark D., "1H NMR-Based Determination of the Secondary Structure of Porcine Pancreatic Spasmolytic Polypeptide: One of a New Family of "Trefoil" Motif Containing Cell Growth Factors," Biochemistry 31 (7), 1998-2004 (1992). ; _Citation_title ; 1H NMR-Based Determination of the Secondary Structure of Porcine Pancreatic Spasmolytic Polypeptide: One of a New Family of "Trefoil" Motif Containing Cell Growth Factors ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Carr Mark D. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 31 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1998 _Page_last 2004 _Year 1992 _Details . save_ ################################## # Molecular system description # ################################## save_system_spasmolytic_polypeptide _Saveframe_category molecular_system _Mol_system_name 'spasmolytic polypeptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'spasmolytic polypeptide' $spasmolytic_polypeptide stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_spasmolytic_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'spasmolytic polypeptide' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; XKPAACRCSRQDPKNRVNCG FPGITSDQCFTSGCCFDSQV PGVPWCFKPLPAQESEECVM QVSARKNCGYPGISPEDCAA RNCCFSDTIPEVPWCFFPMS VEDCHY ; loop_ _Residue_seq_code _Residue_label 1 X 2 LYS 3 PRO 4 ALA 5 ALA 6 CYS 7 ARG 8 CYS 9 SER 10 ARG 11 GLN 12 ASP 13 PRO 14 LYS 15 ASN 16 ARG 17 VAL 18 ASN 19 CYS 20 GLY 21 PHE 22 PRO 23 GLY 24 ILE 25 THR 26 SER 27 ASP 28 GLN 29 CYS 30 PHE 31 THR 32 SER 33 GLY 34 CYS 35 CYS 36 PHE 37 ASP 38 SER 39 GLN 40 VAL 41 PRO 42 GLY 43 VAL 44 PRO 45 TRP 46 CYS 47 PHE 48 LYS 49 PRO 50 LEU 51 PRO 52 ALA 53 GLN 54 GLU 55 SER 56 GLU 57 GLU 58 CYS 59 VAL 60 MET 61 GLN 62 VAL 63 SER 64 ALA 65 ARG 66 LYS 67 ASN 68 CYS 69 GLY 70 TYR 71 PRO 72 GLY 73 ILE 74 SER 75 PRO 76 GLU 77 ASP 78 CYS 79 ALA 80 ALA 81 ARG 82 ASN 83 CYS 84 CYS 85 PHE 86 SER 87 ASP 88 THR 89 ILE 90 PRO 91 GLU 92 VAL 93 PRO 94 TRP 95 CYS 96 PHE 97 PHE 98 PRO 99 MET 100 SER 101 VAL 102 GLU 103 ASP 104 CYS 105 HIS 106 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1PCP "Solution Structure Of A Trefoil-Motif-Containing Cell Growth Factor, Porcine Spasmolytic Protein" 98.11 106 100.00 100.00 6.89e-68 PDB 1POS 'Crystal Structure Of A Novel Disulfide-Linked "trefoil" Motif Found In A Large Family Of Putative Growth Factors' 99.06 106 100.00 100.00 5.73e-69 PDB 1PSP "Pancreatic Spasmolytic Polypeptide: First Three-Dimensional Structure Of A Member Of The Mammalian Trefoil Family Of Peptides" 99.06 106 100.00 100.00 5.73e-69 PDB 2PSP "Porcine Pancreatic Spasmolytic Polypeptide" 99.06 106 100.00 100.00 5.73e-69 EMBL CAA35993 "pancreatic spasmolytic polypeptide [Sus scrofa]" 99.06 127 98.10 99.05 1.29e-67 REF XP_003359019 "PREDICTED: trefoil factor 2 [Sus scrofa]" 99.06 165 99.05 100.00 7.35e-70 SP P01359 "RecName: Full=Trefoil factor 2; AltName: Full=Pancreatic spasmolytic polypeptide; Short=PSP; AltName: Full=Spasmolytic polypept" 99.06 127 98.10 99.05 1.29e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $spasmolytic_polypeptide pig 9823 Eukaryota Metazoa Sus scrofa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $spasmolytic_polypeptide 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.2 . na temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H . . . 0 . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'spasmolytic polypeptide' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 LYS H H 8.14 . 1 2 . 2 LYS HA H 4.53 . 1 3 . 3 PRO HA H 4.44 . 1 4 . 4 ALA H H 8.57 . 1 5 . 4 ALA HA H 4.15 . 1 6 . 4 ALA HB H 1.43 . 1 7 . 5 ALA H H 8.2 . 1 8 . 5 ALA HA H 3.34 . 1 9 . 5 ALA HB H .57 . 1 10 . 6 CYS H H 9.66 . 1 11 . 7 ARG H H 7.89 . 1 12 . 7 ARG HA H 3.96 . 1 13 . 7 ARG HB2 H 2.05 . 1 14 . 7 ARG HB3 H 2.05 . 1 15 . 8 CYS H H 7.89 . 1 16 . 8 CYS HA H 5.2 . 1 17 . 8 CYS HB2 H 3.51 . 2 18 . 8 CYS HB3 H 3.06 . 2 19 . 9 SER H H 8.7 . 1 20 . 9 SER HA H 4.19 . 1 21 . 9 SER HB2 H 3.68 . 2 22 . 9 SER HB3 H 3.81 . 2 23 . 10 ARG H H 7.14 . 1 24 . 10 ARG HA H 4.42 . 1 25 . 11 GLN H H 6.92 . 1 26 . 11 GLN HA H 4.6 . 1 27 . 11 GLN HB2 H 1.86 . 2 28 . 11 GLN HB3 H 1.98 . 2 29 . 11 GLN HG2 H 2.13 . 2 30 . 11 GLN HG3 H 2.19 . 2 31 . 11 GLN HE21 H 7.37 . 2 32 . 11 GLN HE22 H 8.01 . 2 33 . 12 ASP H H 9.4 . 1 34 . 12 ASP HA H 4.64 . 1 35 . 12 ASP HB2 H 2.65 . 2 36 . 12 ASP HB3 H 2.75 . 2 37 . 13 PRO HD2 H 3.76 . 2 38 . 13 PRO HD3 H 4.04 . 2 39 . 14 LYS H H 8.33 . 1 40 . 14 LYS HA H 4.01 . 1 41 . 14 LYS HB2 H 1.73 . 1 42 . 14 LYS HB3 H 1.73 . 1 43 . 14 LYS HG2 H 1.37 . 1 44 . 14 LYS HG3 H 1.37 . 1 45 . 14 LYS HD2 H 1.65 . 1 46 . 14 LYS HD3 H 1.65 . 1 47 . 14 LYS HE2 H 2.96 . 1 48 . 14 LYS HE3 H 2.96 . 1 49 . 15 ASN H H 8.13 . 1 50 . 15 ASN HA H 4.89 . 1 51 . 15 ASN HB2 H 3.14 . 2 52 . 15 ASN HB3 H 2.83 . 2 53 . 15 ASN HD21 H 6.72 . 2 54 . 15 ASN HD22 H 8.3 . 2 55 . 16 ARG H H 6.96 . 1 56 . 16 ARG HA H 3.99 . 1 57 . 16 ARG HB2 H 1.46 . 1 58 . 16 ARG HB3 H 1.46 . 1 59 . 17 VAL H H 9.5 . 1 60 . 17 VAL HA H 4.22 . 1 61 . 17 VAL HB H 1.99 . 1 62 . 17 VAL HG1 H 1.08 . 1 63 . 17 VAL HG2 H 1.08 . 1 64 . 18 ASN H H 8.81 . 1 65 . 18 ASN HA H 4.45 . 1 66 . 18 ASN HB2 H 2.7 . 1 67 . 18 ASN HB3 H 2.7 . 1 68 . 19 CYS H H 8.57 . 1 69 . 19 CYS HA H 4.72 . 1 70 . 19 CYS HB2 H 3.12 . 2 71 . 19 CYS HB3 H 2.56 . 2 72 . 20 GLY HA2 H 4 . 2 73 . 20 GLY HA3 H 3.65 . 2 74 . 21 PHE H H 6.19 . 1 75 . 21 PHE HA H 5.11 . 1 76 . 21 PHE HB2 H 3.18 . 2 77 . 21 PHE HB3 H 3.08 . 2 78 . 21 PHE HD1 H 7.15 . 1 79 . 21 PHE HD2 H 7.15 . 1 80 . 21 PHE HE1 H 7.28 . 1 81 . 21 PHE HE2 H 7.28 . 1 82 . 21 PHE HZ H 7.31 . 1 83 . 22 PRO HD2 H 3.8 . 2 84 . 22 PRO HD3 H 3.94 . 2 85 . 23 GLY HA2 H 4.27 . 2 86 . 23 GLY HA3 H 3.72 . 2 87 . 24 ILE H H 7.41 . 1 88 . 24 ILE HA H 3.85 . 1 89 . 24 ILE HB H .68 . 1 90 . 24 ILE HG12 H 1.47 . 2 91 . 24 ILE HG13 H 1.3 . 2 92 . 24 ILE HG2 H .91 . 1 93 . 24 ILE HD1 H .6 . 1 94 . 25 THR H H 7.87 . 1 95 . 25 THR HA H 4.4 . 1 96 . 25 THR HB H 4.54 . 1 97 . 25 THR HG2 H 1.33 . 1 98 . 27 ASP H H 7.89 . 1 99 . 27 ASP HA H 4.46 . 1 100 . 27 ASP HB2 H 2.61 . 2 101 . 27 ASP HB3 H 2.53 . 2 102 . 28 GLN H H 7.53 . 1 103 . 28 GLN HA H 3.96 . 1 104 . 28 GLN HB2 H 1.9 . 2 105 . 28 GLN HB3 H 2.22 . 2 106 . 28 GLN HG2 H 2.43 . 1 107 . 28 GLN HG3 H 2.43 . 1 108 . 28 GLN HE21 H 6.83 . 2 109 . 28 GLN HE22 H 7.5 . 2 110 . 29 CYS H H 8.44 . 1 111 . 29 CYS HA H 3.9 . 1 112 . 29 CYS HB2 H 2.81 . 2 113 . 29 CYS HB3 H 3.08 . 2 114 . 30 PHE H H 8.49 . 1 115 . 30 PHE HA H 5.36 . 1 116 . 30 PHE HB2 H 3.12 . 2 117 . 30 PHE HB3 H 2.94 . 2 118 . 30 PHE HD1 H 7.61 . 1 119 . 30 PHE HD2 H 7.61 . 1 120 . 30 PHE HE1 H 7.48 . 1 121 . 30 PHE HE2 H 7.48 . 1 122 . 31 THR H H 8.37 . 1 123 . 31 THR HA H 3.92 . 1 124 . 31 THR HB H 4.3 . 1 125 . 31 THR HG2 H 1.33 . 1 126 . 32 SER H H 7.61 . 1 127 . 32 SER HA H 4.52 . 1 128 . 32 SER HB2 H 4.05 . 2 129 . 32 SER HB3 H 4.13 . 2 130 . 33 GLY H H 8.04 . 1 131 . 33 GLY HA2 H 4.19 . 1 132 . 33 GLY HA3 H 4.19 . 1 133 . 34 CYS H H 7.76 . 1 134 . 34 CYS HA H 4.54 . 1 135 . 34 CYS HB2 H 2.71 . 2 136 . 34 CYS HB3 H 3.31 . 2 137 . 35 CYS H H 8.24 . 1 138 . 35 CYS HA H 4.26 . 1 139 . 35 CYS HB2 H .62 . 2 140 . 35 CYS HB3 H 2.15 . 2 141 . 36 PHE H H 6.39 . 1 142 . 36 PHE HA H 5.86 . 1 143 . 36 PHE HB2 H 1.93 . 2 144 . 36 PHE HB3 H 2.33 . 2 145 . 36 PHE HD1 H 6.97 . 1 146 . 36 PHE HD2 H 6.97 . 1 147 . 36 PHE HE1 H 7.34 . 1 148 . 36 PHE HE2 H 7.34 . 1 149 . 36 PHE HZ H 7.46 . 1 150 . 37 ASP H H 9.13 . 1 151 . 37 ASP HA H 4.64 . 1 152 . 37 ASP HB2 H 3.01 . 2 153 . 37 ASP HB3 H 2.66 . 2 154 . 38 SER H H 8.38 . 1 155 . 38 SER HA H 2.49 . 1 156 . 39 GLN H H 8.08 . 1 157 . 39 GLN HA H 3.9 . 1 158 . 39 GLN HB2 H 2.16 . 2 159 . 39 GLN HB3 H 2.26 . 2 160 . 39 GLN HG2 H 2.46 . 2 161 . 39 GLN HG3 H 2.31 . 2 162 . 39 GLN HE21 H 6.54 . 2 163 . 39 GLN HE22 H 7.26 . 2 164 . 40 VAL H H 7.98 . 1 165 . 40 VAL HA H 4.52 . 1 166 . 40 VAL HB H 1.83 . 1 167 . 40 VAL HG1 H .91 . 2 168 . 40 VAL HG2 H .83 . 2 169 . 41 PRO HA H 4.81 . 1 170 . 41 PRO HB2 H 2 . 2 171 . 41 PRO HB3 H 2.4 . 2 172 . 41 PRO HG2 H 2.1 . 1 173 . 41 PRO HG3 H 2.1 . 1 174 . 41 PRO HD2 H 3.83 . 1 175 . 41 PRO HD3 H 3.83 . 1 176 . 42 GLY H H 8.73 . 1 177 . 42 GLY HA2 H 3.95 . 2 178 . 42 GLY HA3 H 3.62 . 2 179 . 43 VAL H H 7.11 . 1 180 . 43 VAL HA H 4.72 . 1 181 . 43 VAL HB H 2.14 . 1 182 . 43 VAL HG1 H .72 . 2 183 . 43 VAL HG2 H .58 . 2 184 . 44 PRO HA H 4.18 . 1 185 . 44 PRO HB2 H 1.77 . 2 186 . 44 PRO HB3 H 2.43 . 2 187 . 44 PRO HG2 H 1.86 . 1 188 . 44 PRO HG3 H 1.86 . 1 189 . 44 PRO HD2 H 3.42 . 2 190 . 44 PRO HD3 H 3.73 . 2 191 . 45 TRP H H 8.19 . 1 192 . 45 TRP HA H 5.07 . 1 193 . 45 TRP HB2 H 2.26 . 2 194 . 45 TRP HB3 H 2.86 . 2 195 . 45 TRP HD1 H 7.09 . 1 196 . 45 TRP HE1 H 9.4 . 1 197 . 45 TRP HE3 H 7.65 . 1 198 . 45 TRP HZ2 H 7.45 . 1 199 . 45 TRP HZ3 H 7.29 . 1 200 . 45 TRP HH2 H 7.31 . 1 201 . 46 CYS H H 8.13 . 1 202 . 46 CYS HA H 5.99 . 1 203 . 46 CYS HB2 H 2.66 . 2 204 . 46 CYS HB3 H 3.29 . 2 205 . 47 PHE H H 9.47 . 1 206 . 47 PHE HA H 5.74 . 1 207 . 47 PHE HB2 H 2.59 . 2 208 . 47 PHE HB3 H 3.16 . 2 209 . 47 PHE HD1 H 6.85 . 1 210 . 47 PHE HD2 H 7.25 . 1 211 . 47 PHE HE1 H 7.04 . 1 212 . 47 PHE HE2 H 7.59 . 1 213 . 47 PHE HZ H 7.19 . 1 214 . 48 LYS H H 8.6 . 1 215 . 48 LYS HA H 4.7 . 1 216 . 48 LYS HB2 H 1.84 . 2 217 . 48 LYS HB3 H 1.97 . 2 218 . 48 LYS HG2 H 1.49 . 2 219 . 48 LYS HG3 H 1.6 . 2 220 . 48 LYS HD2 H 1.78 . 1 221 . 48 LYS HD3 H 1.78 . 1 222 . 48 LYS HE2 H 3.08 . 1 223 . 48 LYS HE3 H 3.08 . 1 224 . 49 PRO HA H 4.45 . 1 225 . 49 PRO HB2 H 1.9 . 2 226 . 49 PRO HB3 H 1.99 . 2 227 . 49 PRO HG2 H 1.71 . 2 228 . 49 PRO HG3 H 2.1 . 2 229 . 49 PRO HD2 H 3.67 . 1 230 . 49 PRO HD3 H 3.67 . 1 231 . 50 LEU H H 8.58 . 1 232 . 50 LEU HA H 4.53 . 1 233 . 50 LEU HB2 H 1.47 . 2 234 . 50 LEU HB3 H 1.53 . 2 235 . 50 LEU HG H 1.73 . 1 236 . 50 LEU HD1 H .65 . 2 237 . 50 LEU HD2 H .97 . 2 238 . 51 PRO HA H 4.41 . 1 239 . 51 PRO HB2 H 1.8 . 2 240 . 51 PRO HB3 H 2.38 . 2 241 . 51 PRO HG2 H 2.08 . 1 242 . 51 PRO HG3 H 2.08 . 1 243 . 51 PRO HD2 H 3.64 . 2 244 . 51 PRO HD3 H 3.89 . 2 245 . 52 ALA H H 8.39 . 1 246 . 52 ALA HA H 3.96 . 1 247 . 52 ALA HB H 1.28 . 1 248 . 53 GLN H H 7.4 . 1 249 . 53 GLN HA H 4.65 . 1 250 . 53 GLN HB2 H 1.64 . 1 251 . 53 GLN HB3 H 1.64 . 1 252 . 53 GLN HG2 H 2.35 . 1 253 . 53 GLN HG3 H 2.35 . 1 254 . 54 GLU H H 8.81 . 1 255 . 54 GLU HA H 3.98 . 1 256 . 54 GLU HB2 H 2.08 . 1 257 . 54 GLU HB3 H 2.08 . 1 258 . 54 GLU HG2 H 2.31 . 1 259 . 54 GLU HG3 H 2.31 . 1 260 . 55 SER H H 7.59 . 1 261 . 55 SER HA H 4.73 . 1 262 . 55 SER HB2 H 3.77 . 2 263 . 55 SER HB3 H 3.83 . 2 264 . 56 GLU H H 8.98 . 1 265 . 56 GLU HA H 4.02 . 1 266 . 56 GLU HB2 H 2.02 . 1 267 . 56 GLU HB3 H 2.02 . 1 268 . 56 GLU HG2 H 2.22 . 2 269 . 56 GLU HG3 H 2.29 . 2 270 . 57 GLU H H 8.84 . 1 271 . 57 GLU HA H 4.37 . 1 272 . 58 CYS H H 7.53 . 1 273 . 58 CYS HA H 4.94 . 1 274 . 58 CYS HB2 H 2.84 . 2 275 . 58 CYS HB3 H 3.33 . 2 276 . 59 VAL H H 7.4 . 1 277 . 59 VAL HA H 3.91 . 1 278 . 59 VAL HB H 2.13 . 1 279 . 59 VAL HG1 H .73 . 2 280 . 59 VAL HG2 H 1.08 . 2 281 . 60 MET H H 7.57 . 1 282 . 60 MET HA H 4.25 . 1 283 . 60 MET HB2 H 1.95 . 2 284 . 60 MET HB3 H 2.25 . 2 285 . 61 GLN H H 9.24 . 1 286 . 61 GLN HA H 4.22 . 1 287 . 61 GLN HB2 H 1.97 . 2 288 . 61 GLN HB3 H 2.16 . 2 289 . 61 GLN HG2 H 2.68 . 2 290 . 61 GLN HG3 H 2.4 . 2 291 . 62 VAL H H 8.94 . 1 292 . 62 VAL HA H 3.37 . 1 293 . 62 VAL HB H 2.01 . 1 294 . 62 VAL HG1 H 1.01 . 2 295 . 62 VAL HG2 H .92 . 2 296 . 63 SER H H 8.01 . 1 297 . 63 SER HA H 4.16 . 1 298 . 63 SER HB2 H 3.87 . 2 299 . 63 SER HB3 H 4 . 2 300 . 64 ALA H H 7.48 . 1 301 . 64 ALA HA H 4.38 . 1 302 . 64 ALA HB H 1.5 . 1 303 . 65 ARG H H 6.99 . 1 304 . 65 ARG HA H 4.2 . 1 305 . 65 ARG HB2 H 1.65 . 1 306 . 65 ARG HB3 H 1.65 . 1 307 . 65 ARG HG2 H 1.94 . 1 308 . 65 ARG HG3 H 1.94 . 1 309 . 65 ARG HD2 H 3.25 . 1 310 . 65 ARG HD3 H 3.25 . 1 311 . 66 LYS H H 9.59 . 1 312 . 66 LYS HA H 4.68 . 1 313 . 66 LYS HB2 H 2.1 . 1 314 . 66 LYS HB3 H 2.1 . 1 315 . 66 LYS HG2 H 1.52 . 1 316 . 66 LYS HG3 H 1.52 . 1 317 . 66 LYS HD2 H 1.72 . 1 318 . 66 LYS HD3 H 1.72 . 1 319 . 66 LYS HE2 H 3.01 . 1 320 . 66 LYS HE3 H 3.01 . 1 321 . 67 ASN H H 8.88 . 1 322 . 67 ASN HA H 4.46 . 1 323 . 67 ASN HB2 H 2.89 . 2 324 . 67 ASN HB3 H 2.74 . 2 325 . 68 CYS H H 9.04 . 1 326 . 68 CYS HA H 4.41 . 1 327 . 68 CYS HB2 H 1.41 . 2 328 . 68 CYS HB3 H 2.59 . 2 329 . 69 GLY H H 8.1 . 1 330 . 69 GLY HA2 H 4.16 . 2 331 . 69 GLY HA3 H 3.29 . 2 332 . 70 TYR H H 6.39 . 1 333 . 70 TYR HA H 5.02 . 1 334 . 70 TYR HB2 H 3.11 . 1 335 . 70 TYR HB3 H 3.11 . 1 336 . 70 TYR HD1 H 6.92 . 1 337 . 70 TYR HD2 H 6.92 . 1 338 . 70 TYR HE1 H 6.73 . 1 339 . 70 TYR HE2 H 6.73 . 1 340 . 71 PRO HD2 H 3.78 . 2 341 . 71 PRO HD3 H 3.92 . 2 342 . 72 GLY HA2 H 4.24 . 2 343 . 72 GLY HA3 H 3.74 . 2 344 . 73 ILE H H 7.45 . 1 345 . 73 ILE HA H 3.9 . 1 346 . 73 ILE HB H .67 . 1 347 . 73 ILE HG12 H 1.63 . 2 348 . 73 ILE HG13 H 1.43 . 2 349 . 73 ILE HG2 H 1.01 . 1 350 . 73 ILE HD1 H .55 . 1 351 . 74 SER H H 8.47 . 1 352 . 74 SER HA H 4.72 . 1 353 . 75 PRO HA H 4.37 . 1 354 . 75 PRO HB2 H 2.31 . 1 355 . 75 PRO HB3 H 2.31 . 1 356 . 76 GLU H H 8.73 . 1 357 . 76 GLU HA H 3.93 . 1 358 . 76 GLU HB2 H 1.97 . 1 359 . 76 GLU HB3 H 1.97 . 1 360 . 76 GLU HG2 H 2.39 . 1 361 . 76 GLU HG3 H 2.39 . 1 362 . 77 ASP H H 7.92 . 1 363 . 77 ASP HA H 4.54 . 1 364 . 77 ASP HB2 H 2.75 . 2 365 . 77 ASP HB3 H 2.57 . 2 366 . 78 CYS H H 8.26 . 1 367 . 78 CYS HA H 3.98 . 1 368 . 78 CYS HB2 H 2.88 . 2 369 . 78 CYS HB3 H 3.16 . 2 370 . 79 ALA H H 8.2 . 1 371 . 79 ALA HA H 4.22 . 1 372 . 79 ALA HB H 1.49 . 1 373 . 80 ALA H H 7.9 . 1 374 . 80 ALA HA H 4.22 . 1 375 . 80 ALA HB H 1.59 . 1 376 . 81 ARG H H 7.17 . 1 377 . 81 ARG HA H 4.37 . 1 378 . 81 ARG HB2 H 1.83 . 2 379 . 81 ARG HB3 H 1.99 . 2 380 . 81 ARG HG2 H 1.77 . 2 381 . 81 ARG HG3 H 1.89 . 2 382 . 81 ARG HD2 H 3.23 . 1 383 . 81 ARG HD3 H 3.23 . 1 384 . 82 ASN H H 8.27 . 1 385 . 82 ASN HA H 4.34 . 1 386 . 82 ASN HB2 H 3.01 . 2 387 . 82 ASN HB3 H 3.09 . 2 388 . 82 ASN HD21 H 6.79 . 2 389 . 82 ASN HD22 H 7.41 . 2 390 . 83 CYS H H 7.19 . 1 391 . 83 CYS HA H 4.4 . 1 392 . 83 CYS HB2 H 2.54 . 2 393 . 83 CYS HB3 H 3.13 . 2 394 . 84 CYS H H 8.48 . 1 395 . 84 CYS HA H 4.16 . 1 396 . 84 CYS HB2 H 1.07 . 2 397 . 84 CYS HB3 H 1.96 . 2 398 . 85 PHE H H 8.55 . 1 399 . 85 PHE HA H 5.95 . 1 400 . 85 PHE HB2 H 2.71 . 2 401 . 85 PHE HB3 H 3 . 2 402 . 85 PHE HD1 H 7.08 . 1 403 . 85 PHE HD2 H 7.08 . 1 404 . 85 PHE HE1 H 7.32 . 1 405 . 85 PHE HE2 H 7.32 . 1 406 . 85 PHE HZ H 7.48 . 1 407 . 86 SER H H 8.91 . 1 408 . 86 SER HA H 4.3 . 1 409 . 86 SER HB2 H 3.56 . 2 410 . 86 SER HB3 H 4.12 . 2 411 . 87 ASP H H 8.08 . 1 412 . 87 ASP HA H 2.59 . 1 413 . 87 ASP HB2 H 1.33 . 2 414 . 87 ASP HB3 H 1.14 . 2 415 . 88 THR H H 6.95 . 1 416 . 88 THR HA H 3.78 . 1 417 . 88 THR HB H 4.12 . 1 418 . 88 THR HG2 H 1.21 . 1 419 . 89 ILE H H 7.76 . 1 420 . 89 ILE HA H 4.71 . 1 421 . 89 ILE HB H 1.67 . 1 422 . 89 ILE HG12 H 1.43 . 2 423 . 89 ILE HG13 H 1.12 . 2 424 . 89 ILE HG2 H 1.04 . 1 425 . 89 ILE HD1 H .79 . 1 426 . 90 PRO HA H 4.79 . 1 427 . 90 PRO HB2 H 2.11 . 2 428 . 90 PRO HB3 H 2.55 . 2 429 . 90 PRO HG2 H 2.16 . 1 430 . 90 PRO HG3 H 2.16 . 1 431 . 90 PRO HD2 H 3.87 . 2 432 . 90 PRO HD3 H 3.97 . 2 433 . 91 GLU H H 8.82 . 1 434 . 91 GLU HA H 3.8 . 1 435 . 91 GLU HB2 H 2.15 . 1 436 . 91 GLU HB3 H 2.15 . 1 437 . 91 GLU HG2 H 2.24 . 1 438 . 91 GLU HG3 H 2.24 . 1 439 . 92 VAL H H 7.3 . 1 440 . 92 VAL HA H 4.66 . 1 441 . 92 VAL HB H 2.16 . 1 442 . 92 VAL HG1 H .85 . 2 443 . 92 VAL HG2 H .67 . 2 444 . 93 PRO HA H 4.17 . 1 445 . 93 PRO HB2 H 1.61 . 2 446 . 93 PRO HB3 H 2.28 . 2 447 . 93 PRO HG2 H 1.89 . 1 448 . 93 PRO HG3 H 1.89 . 1 449 . 93 PRO HD2 H 3.4 . 2 450 . 93 PRO HD3 H 3.78 . 2 451 . 94 TRP H H 8.06 . 1 452 . 94 TRP HA H 5.13 . 1 453 . 94 TRP HB2 H 2.41 . 2 454 . 94 TRP HB3 H 2.88 . 2 455 . 94 TRP HD1 H 7.06 . 1 456 . 94 TRP HE1 H 9.86 . 1 457 . 94 TRP HE3 H 7.85 . 1 458 . 94 TRP HZ2 H 7.44 . 1 459 . 94 TRP HZ3 H 7.36 . 1 460 . 94 TRP HH2 H 7.36 . 1 461 . 95 CYS H H 8.51 . 1 462 . 95 CYS HA H 6.12 . 1 463 . 95 CYS HB2 H 2.66 . 2 464 . 95 CYS HB3 H 3.12 . 2 465 . 96 PHE H H 9.26 . 1 466 . 96 PHE HA H 5.61 . 1 467 . 96 PHE HB2 H 2.6 . 2 468 . 96 PHE HB3 H 3.13 . 2 469 . 96 PHE HD1 H 6.68 . 1 470 . 96 PHE HD2 H 7.33 . 1 471 . 96 PHE HE1 H 6.91 . 1 472 . 96 PHE HE2 H 7.55 . 1 473 . 96 PHE HZ H 7.15 . 1 474 . 97 PHE H H 8.24 . 1 475 . 97 PHE HA H 4.88 . 1 476 . 97 PHE HB2 H 3 . 2 477 . 97 PHE HB3 H 3.39 . 2 478 . 97 PHE HD1 H 7.38 . 1 479 . 97 PHE HD2 H 7.38 . 1 480 . 97 PHE HE1 H 7.52 . 1 481 . 97 PHE HE2 H 7.52 . 1 482 . 97 PHE HZ H 7.48 . 1 483 . 98 PRO HA H 4.68 . 1 484 . 98 PRO HB2 H 2.04 . 1 485 . 98 PRO HB3 H 2.04 . 1 486 . 98 PRO HD2 H 3.95 . 2 487 . 98 PRO HD3 H 4.1 . 2 488 . 99 MET H H 9.01 . 1 489 . 99 MET HA H 4.71 . 1 490 . 100 SER H H 8.41 . 1 491 . 100 SER HA H 4.44 . 1 492 . 100 SER HB2 H 3.87 . 2 493 . 100 SER HB3 H 4.08 . 2 494 . 101 VAL H H 8.24 . 1 495 . 101 VAL HA H 4.36 . 1 496 . 101 VAL HB H 2.52 . 1 497 . 101 VAL HG1 H .93 . 2 498 . 101 VAL HG2 H 1.06 . 2 499 . 102 GLU H H 8.43 . 1 500 . 102 GLU HA H 4.09 . 1 501 . 102 GLU HB2 H 2.04 . 1 502 . 102 GLU HB3 H 2.04 . 1 503 . 102 GLU HG2 H 2.3 . 1 504 . 102 GLU HG3 H 2.3 . 1 505 . 103 ASP H H 8.33 . 1 506 . 103 ASP HA H 4.56 . 1 507 . 103 ASP HB2 H 2.67 . 1 508 . 103 ASP HB3 H 2.67 . 1 509 . 104 CYS H H 7.7 . 1 510 . 104 CYS HA H 4.39 . 1 511 . 104 CYS HB2 H 2.68 . 2 512 . 104 CYS HB3 H 3.14 . 2 513 . 105 HIS HA H 4.59 . 1 514 . 105 HIS HB2 H 3.26 . 2 515 . 105 HIS HB3 H 3.36 . 2 516 . 105 HIS HD2 H 7.39 . 1 517 . 105 HIS HE1 H 8.65 . 1 518 . 106 TYR H H 8.42 . 1 519 . 106 TYR HA H 4.7 . 1 520 . 106 TYR HB2 H 2.78 . 2 521 . 106 TYR HB3 H 3.63 . 2 522 . 106 TYR HD1 H 7.37 . 1 523 . 106 TYR HD2 H 7.37 . 1 524 . 106 TYR HE1 H 6.83 . 1 525 . 106 TYR HE2 H 6.83 . 1 stop_ save_