data_280 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Determination of the Secondary Structure of Interleukin-8 by Nuclear Magnetic Resonance Spectroscopy ; _BMRB_accession_number 280 _BMRB_flat_file_name bmr280.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 Clore G. Marius . 2 Appella Ettore . . 3 Yamada Masaki . . 4 Matsushima Kouji . . 5 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 456 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-10 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 ; Clore, G. Marius, Appella, Ettore, Yamada, Masaki, Matsushima, Kouji, Gronenborn, Angela M., "Determination of the Secondary Structure of Interleukin-8 by Nuclear Magnetic Resonance Spectroscopy," J. Biol. Chem. 264 (32), 18907-18911 (1989). ; _Citation_title ; Determination of the Secondary Structure of Interleukin-8 by Nuclear Magnetic Resonance Spectroscopy ; _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 Clore G. Marius . 2 Appella Ettore . . 3 Yamada Masaki . . 4 Matsushima Kouji . . 5 Gronenborn Angela M. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 264 _Journal_issue 32 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18907 _Page_last 18911 _Year 1989 _Details . save_ ################################## # Molecular system description # ################################## save_system_interleukin_8 _Saveframe_category molecular_system _Mol_system_name 'interleukin 8' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'interleukin 8' $interleukin_8 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_interleukin_8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'interleukin 8' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 72 _Mol_residue_sequence ; SAKELRCQCIKTYSKPFHPK FIKELRVIESGPHCANTEII VKLSDGRELCLDPKENWVQR VVEKFLKRAENS ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 LYS 4 GLU 5 LEU 6 ARG 7 CYS 8 GLN 9 CYS 10 ILE 11 LYS 12 THR 13 TYR 14 SER 15 LYS 16 PRO 17 PHE 18 HIS 19 PRO 20 LYS 21 PHE 22 ILE 23 LYS 24 GLU 25 LEU 26 ARG 27 VAL 28 ILE 29 GLU 30 SER 31 GLY 32 PRO 33 HIS 34 CYS 35 ALA 36 ASN 37 THR 38 GLU 39 ILE 40 ILE 41 VAL 42 LYS 43 LEU 44 SER 45 ASP 46 GLY 47 ARG 48 GLU 49 LEU 50 CYS 51 LEU 52 ASP 53 PRO 54 LYS 55 GLU 56 ASN 57 TRP 58 VAL 59 GLN 60 ARG 61 VAL 62 VAL 63 GLU 64 LYS 65 PHE 66 LEU 67 LYS 68 ARG 69 ALA 70 GLU 71 ASN 72 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 1ICW "Interleukin-8, Mutant With Glu 38 Replaced By Cys And Cys 50 Replaced By Ala" 100.00 72 97.22 97.22 6.88e-42 PDB 1IKL "Nmr Study Of Monomeric Human Interleukin-8 (Minimized Average Structure)" 100.00 72 98.61 98.61 1.88e-43 PDB 1IKM "Nmr Study Of Monomeric Human Interleukin-8 (30 Structures)" 100.00 72 98.61 98.61 1.88e-43 PDB 1IL8 "Three-Dimensional Structure Of Interleukin 8 In Solution" 100.00 72 100.00 100.00 2.18e-44 PDB 1ILP "Cxcr-1 N-Terminal Peptide Bound To Interleukin-8" 100.00 72 100.00 100.00 2.18e-44 PDB 1ILQ "Cxcr-1 N-Terminal Peptide Bound To Interleukin-8 (Minimized Mean)" 100.00 72 100.00 100.00 2.18e-44 PDB 1QE6 "Interleukin-8 With An Added Disulfide Between Residues 5 And 33 (l5c/h33c)" 100.00 72 97.22 97.22 9.85e-42 PDB 2IL8 "Three-Dimensional Structure Of Interleukin 8 In Solution" 100.00 72 100.00 100.00 2.18e-44 PDB 3IL8 "Crystal Structure Of Interleukin 8: Symbiosis Of Nmr And Crystallography" 100.00 72 100.00 100.00 2.18e-44 DBJ BAA03245 "LUCT/interleukin-8 [Homo sapiens]" 100.00 99 100.00 100.00 6.08e-45 DBJ BAG34815 "unnamed protein product [Homo sapiens]" 100.00 99 100.00 100.00 6.08e-45 DBJ BAJ20387 "interleukin 8 [synthetic construct]" 100.00 99 100.00 100.00 6.08e-45 EMBL CAA68742 "MDNCF precursor (AA -27 to 72) [Homo sapiens]" 100.00 99 100.00 100.00 6.08e-45 EMBL CAA77745 "interleukin 8 [Homo sapiens]" 97.22 97 100.00 100.00 2.55e-43 EMBL CAG46948 "IL8 [Homo sapiens]" 100.00 99 100.00 100.00 6.08e-45 GB AAA35611 "beta-thromboglobulin-like protein precursor [Homo sapiens]" 100.00 99 100.00 100.00 6.08e-45 GB AAA36323 "monocyte-derived neutrophil-activating protein precursor [Homo sapiens]" 100.00 99 100.00 100.00 6.08e-45 GB AAA59158 "interleukin 8 [Homo sapiens]" 100.00 99 100.00 100.00 6.08e-45 GB AAA74722 "neutrophil-activating factor [synthetic construct]" 100.00 73 100.00 100.00 2.01e-44 GB AAB01177 "interleukin-8 [synthetic construct]" 100.00 73 100.00 100.00 2.01e-44 REF NP_000575 "interleukin-8 precursor [Homo sapiens]" 100.00 99 100.00 100.00 6.08e-45 REF XP_001156432 "PREDICTED: interleukin-8 [Pan troglodytes]" 100.00 99 100.00 100.00 6.08e-45 REF XP_002814902 "PREDICTED: interleukin-8 isoform X1 [Pongo abelii]" 98.61 101 100.00 100.00 2.35e-44 REF XP_002814903 "PREDICTED: interleukin-8 [Pongo abelii]" 98.61 101 100.00 100.00 2.35e-44 REF XP_003832383 "PREDICTED: interleukin-8 [Pan paniscus]" 100.00 99 100.00 100.00 6.08e-45 SP P10145 "RecName: Full=Interleukin-8; Short=IL-8; AltName: Full=C-X-C motif chemokine 8; AltName: Full=Chemokine (C-X-C motif) ligand 8;" 100.00 99 100.00 100.00 6.08e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Tissue $interleukin_8 human 9606 Eukaryota Metazoa Homo sapiens generic monocyte 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 $interleukin_8 'not available' . Escherichia coli HB101 . 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 5.2 . 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 . . ppm 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 'interleukin 8' _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 . 1 SER HA H 4.16 . 1 2 . 1 SER HB2 H 4.01 . 1 3 . 1 SER HB3 H 4.01 . 1 4 . 2 ALA H H 8.22 . 1 5 . 2 ALA HA H 4.39 . 1 6 . 2 ALA HB H 1.43 . 1 7 . 3 LYS H H 8.22 . 1 8 . 3 LYS HA H 4.25 . 1 9 . 3 LYS HB2 H 1.77 . 1 10 . 3 LYS HB3 H 1.77 . 1 11 . 4 GLU H H 8.24 . 1 12 . 4 GLU HA H 4.3 . 1 13 . 4 GLU HB2 H 1.95 . 2 14 . 4 GLU HB3 H 2.02 . 2 15 . 4 GLU HG2 H 2.25 . 1 16 . 4 GLU HG3 H 2.25 . 1 17 . 5 LEU H H 8.13 . 1 18 . 5 LEU HA H 4.42 . 1 19 . 5 LEU HB2 H 1.54 . 2 20 . 5 LEU HB3 H 1.69 . 2 21 . 5 LEU HG H 1.61 . 1 22 . 5 LEU HD1 H .82 . 2 23 . 5 LEU HD2 H .9 . 2 24 . 6 ARG H H 8.24 . 1 25 . 6 ARG HA H 4.92 . 1 26 . 6 ARG HB2 H 1.8 . 2 27 . 6 ARG HB3 H 2.1 . 2 28 . 6 ARG HG2 H 1.58 . 1 29 . 6 ARG HG3 H 1.58 . 1 30 . 6 ARG HD2 H 3.2 . 1 31 . 6 ARG HD3 H 3.2 . 1 32 . 6 ARG HE H 7.18 . 1 33 . 7 CYS H H 8.07 . 1 34 . 7 CYS HA H 4.69 . 1 35 . 7 CYS HB2 H 2.72 . 2 36 . 7 CYS HB3 H 4.04 . 2 37 . 8 GLN H H 11.94 . 1 38 . 8 GLN HA H 4.24 . 1 39 . 8 GLN HB2 H 2.03 . 2 40 . 8 GLN HB3 H 2.14 . 2 41 . 8 GLN HG2 H 2.3 . 2 42 . 8 GLN HG3 H 2.41 . 2 43 . 8 GLN HE21 H 6.63 . 2 44 . 8 GLN HE22 H 7.55 . 2 45 . 9 CYS H H 9.58 . 1 46 . 9 CYS HA H 4.76 . 1 47 . 9 CYS HB2 H 2.72 . 2 48 . 9 CYS HB3 H 3.4 . 2 49 . 10 ILE H H 8.58 . 1 50 . 10 ILE HA H 4.18 . 1 51 . 10 ILE HB H 1.94 . 1 52 . 10 ILE HG12 H 1.25 . 2 53 . 10 ILE HG13 H 1.49 . 2 54 . 10 ILE HG2 H .96 . 1 55 . 10 ILE HD1 H .89 . 1 56 . 11 LYS H H 7.75 . 1 57 . 11 LYS HA H 4.69 . 1 58 . 11 LYS HB2 H 1.87 . 2 59 . 11 LYS HB3 H 1.94 . 2 60 . 11 LYS HG2 H 1.44 . 2 61 . 11 LYS HG3 H 1.49 . 2 62 . 11 LYS HD2 H 1.77 . 1 63 . 11 LYS HD3 H 1.77 . 1 64 . 11 LYS HE2 H 3.06 . 1 65 . 11 LYS HE3 H 3.06 . 1 66 . 12 THR H H 8.29 . 1 67 . 12 THR HA H 4.59 . 1 68 . 12 THR HB H 4.21 . 1 69 . 12 THR HG2 H 1.04 . 1 70 . 13 TYR H H 8.95 . 1 71 . 13 TYR HA H 4.73 . 1 72 . 13 TYR HB2 H 3.18 . 1 73 . 13 TYR HB3 H 3.18 . 1 74 . 13 TYR HD1 H 7.36 . 1 75 . 13 TYR HD2 H 7.36 . 1 76 . 13 TYR HE1 H 7.19 . 1 77 . 13 TYR HE2 H 7.19 . 1 78 . 14 SER H H 8.15 . 1 79 . 14 SER HA H 4.87 . 1 80 . 14 SER HB2 H 3.99 . 2 81 . 14 SER HB3 H 4.02 . 2 82 . 15 LYS H H 6.29 . 1 83 . 15 LYS HA H 4.57 . 1 84 . 15 LYS HB2 H 1.47 . 2 85 . 15 LYS HB3 H 1.64 . 2 86 . 15 LYS HG2 H 1.23 . 1 87 . 15 LYS HG3 H 1.23 . 1 88 . 15 LYS HD2 H 1.66 . 1 89 . 15 LYS HD3 H 1.66 . 1 90 . 15 LYS HE2 H 2.96 . 1 91 . 15 LYS HE3 H 2.96 . 1 92 . 16 PRO HA H 1.63 . 1 93 . 16 PRO HB2 H 1.07 . 2 94 . 16 PRO HB3 H 1.21 . 2 95 . 16 PRO HG2 H .17 . 2 96 . 16 PRO HG3 H 1.45 . 2 97 . 16 PRO HD2 H 3.17 . 2 98 . 16 PRO HD3 H 3.5 . 2 99 . 17 PHE H H 5.86 . 1 100 . 17 PHE HA H 4.96 . 1 101 . 17 PHE HB2 H 3.16 . 2 102 . 17 PHE HB3 H 3.23 . 2 103 . 17 PHE HD1 H 7.68 . 1 104 . 17 PHE HD2 H 7.68 . 1 105 . 17 PHE HE1 H 7.34 . 1 106 . 17 PHE HE2 H 7.34 . 1 107 . 17 PHE HZ H 7.17 . 1 108 . 18 HIS H H 8.59 . 1 109 . 18 HIS HA H 4.67 . 1 110 . 18 HIS HB2 H 3.17 . 2 111 . 18 HIS HB3 H 3.29 . 2 112 . 18 HIS HD2 H 7.23 . 1 113 . 18 HIS HE1 H 7.83 . 1 114 . 19 PRO HA H 4.44 . 1 115 . 19 PRO HB2 H 2.13 . 2 116 . 19 PRO HB3 H 2.56 . 2 117 . 19 PRO HG2 H 1.93 . 2 118 . 19 PRO HG3 H 1.98 . 2 119 . 19 PRO HD2 H 2.82 . 2 120 . 19 PRO HD3 H 3.98 . 2 121 . 20 LYS H H 11.53 . 1 122 . 20 LYS HA H 4.3 . 1 123 . 20 LYS HB2 H 1.74 . 2 124 . 20 LYS HB3 H 1.83 . 2 125 . 20 LYS HG2 H .32 . 1 126 . 20 LYS HG3 H .32 . 1 127 . 20 LYS HD2 H .91 . 2 128 . 20 LYS HD3 H 1.1 . 2 129 . 20 LYS HE2 H 2.35 . 1 130 . 20 LYS HE3 H 2.35 . 1 131 . 21 PHE H H 7.79 . 1 132 . 21 PHE HA H 4.59 . 1 133 . 21 PHE HB2 H 2.98 . 2 134 . 21 PHE HB3 H 3.44 . 2 135 . 21 PHE HD1 H 7.7 . 1 136 . 21 PHE HD2 H 7.7 . 1 137 . 21 PHE HE1 H 7.53 . 1 138 . 21 PHE HE2 H 7.53 . 1 139 . 21 PHE HZ H 7.39 . 1 140 . 22 ILE H H 7.82 . 1 141 . 22 ILE HA H 3.7 . 1 142 . 22 ILE HB H 1.69 . 1 143 . 22 ILE HG12 H .79 . 2 144 . 22 ILE HG13 H .91 . 2 145 . 22 ILE HG2 H -.07 . 1 146 . 22 ILE HD1 H .31 . 1 147 . 23 LYS H H 8.72 . 1 148 . 23 LYS HA H 4.98 . 1 149 . 23 LYS HB2 H 1.59 . 2 150 . 23 LYS HB3 H 2 . 2 151 . 24 GLU H H 7.69 . 1 152 . 24 GLU HA H 5.4 . 1 153 . 24 GLU HB2 H 1.98 . 2 154 . 24 GLU HB3 H 2.08 . 2 155 . 24 GLU HG2 H 2.26 . 1 156 . 24 GLU HG3 H 2.26 . 1 157 . 25 LEU H H 8.96 . 1 158 . 25 LEU HA H 4.97 . 1 159 . 25 LEU HB2 H 1.35 . 2 160 . 25 LEU HB3 H 1.9 . 2 161 . 25 LEU HG H 1.5 . 1 162 . 25 LEU HD1 H .85 . 2 163 . 25 LEU HD2 H .99 . 2 164 . 26 ARG H H 9.33 . 1 165 . 26 ARG HA H 5.74 . 1 166 . 26 ARG HB2 H 1.74 . 2 167 . 26 ARG HB3 H 1.51 . 2 168 . 26 ARG HG2 H 1.8 . 2 169 . 26 ARG HG3 H 1.89 . 2 170 . 26 ARG HD2 H 3.11 . 1 171 . 26 ARG HD3 H 3.11 . 1 172 . 26 ARG HE H 7.28 . 1 173 . 27 VAL H H 9.42 . 1 174 . 27 VAL HA H 5.12 . 1 175 . 27 VAL HB H 2.26 . 1 176 . 27 VAL HG1 H .8 . 2 177 . 27 VAL HG2 H 1.1 . 2 178 . 28 ILE H H 9.38 . 1 179 . 28 ILE HA H 4.67 . 1 180 . 28 ILE HB H 2.07 . 1 181 . 28 ILE HG12 H .99 . 2 182 . 28 ILE HG13 H 1.43 . 2 183 . 28 ILE HG2 H 1.08 . 1 184 . 28 ILE HD1 H .87 . 1 185 . 29 GLU H H 8.39 . 1 186 . 29 GLU HA H 4.47 . 1 187 . 29 GLU HB2 H 2.24 . 2 188 . 29 GLU HB3 H 2.46 . 2 189 . 29 GLU HG2 H 3.14 . 1 190 . 29 GLU HG3 H 3.14 . 1 191 . 30 SER H H 7.67 . 1 192 . 30 SER HA H 4.2 . 1 193 . 30 SER HB2 H 3.76 . 2 194 . 30 SER HB3 H 3.91 . 2 195 . 31 GLY H H 8.21 . 1 196 . 31 GLY HA2 H 4.14 . 2 197 . 31 GLY HA3 H 4.23 . 2 198 . 32 PRO HA H 4.21 . 1 199 . 32 PRO HB2 H 1.79 . 2 200 . 32 PRO HB3 H 2.37 . 2 201 . 32 PRO HG2 H 1.99 . 2 202 . 32 PRO HG3 H 2.04 . 2 203 . 32 PRO HD2 H 3.84 . 2 204 . 32 PRO HD3 H 3.66 . 2 205 . 33 HIS H H 8.31 . 1 206 . 33 HIS HA H 4.5 . 1 207 . 33 HIS HB2 H 3.05 . 1 208 . 33 HIS HB3 H 3.05 . 1 209 . 33 HIS HD2 H 7.1 . 1 210 . 33 HIS HE1 H 8.02 . 1 211 . 34 CYS H H 6.74 . 1 212 . 34 CYS HA H 4.54 . 1 213 . 34 CYS HB2 H 2.78 . 2 214 . 34 CYS HB3 H 3.02 . 2 215 . 35 ALA H H 8.73 . 1 216 . 35 ALA HA H 4.23 . 1 217 . 35 ALA HB H 1.42 . 1 218 . 36 ASN H H 7.41 . 1 219 . 36 ASN HA H 5.14 . 1 220 . 36 ASN HB2 H 2.58 . 2 221 . 36 ASN HB3 H 2.83 . 2 222 . 36 ASN HD21 H 6.96 . 2 223 . 36 ASN HD22 H 7.53 . 2 224 . 37 THR H H 9.07 . 1 225 . 37 THR HA H 4.59 . 1 226 . 37 THR HB H 4.1 . 1 227 . 37 THR HG2 H .96 . 1 228 . 38 GLU H H 8.48 . 1 229 . 38 GLU HA H 4.98 . 1 230 . 38 GLU HB2 H 2.03 . 1 231 . 38 GLU HB3 H 2.03 . 1 232 . 38 GLU HG2 H 2.48 . 1 233 . 38 GLU HG3 H 2.48 . 1 234 . 39 ILE H H 8.71 . 1 235 . 39 ILE HA H 4.9 . 1 236 . 39 ILE HB H 1.95 . 1 237 . 39 ILE HG12 H 1.12 . 2 238 . 39 ILE HG13 H 1.53 . 2 239 . 39 ILE HG2 H .7 . 1 240 . 39 ILE HD1 H .69 . 1 241 . 40 ILE H H 9.32 . 1 242 . 40 ILE HA H 5.09 . 1 243 . 40 ILE HB H 1.59 . 1 244 . 40 ILE HG12 H 1.15 . 2 245 . 40 ILE HG13 H 1.47 . 2 246 . 40 ILE HG2 H .8 . 1 247 . 40 ILE HD1 H .75 . 1 248 . 41 VAL H H 9.26 . 1 249 . 41 VAL HA H 5.39 . 1 250 . 41 VAL HB H 2.07 . 1 251 . 41 VAL HG1 H .88 . 2 252 . 41 VAL HG2 H .95 . 2 253 . 42 LYS H H 8.37 . 1 254 . 42 LYS HA H 5.2 . 1 255 . 42 LYS HB2 H 1.58 . 2 256 . 42 LYS HB3 H 1.75 . 2 257 . 42 LYS HG2 H 1.33 . 1 258 . 42 LYS HG3 H 1.33 . 1 259 . 42 LYS HD2 H 1.59 . 1 260 . 42 LYS HD3 H 1.59 . 1 261 . 42 LYS HE2 H 2.88 . 1 262 . 42 LYS HE3 H 2.88 . 1 263 . 43 LEU H H 8.93 . 1 264 . 43 LEU HA H 5.45 . 1 265 . 43 LEU HB2 H 1.5 . 2 266 . 43 LEU HB3 H 2.13 . 2 267 . 43 LEU HG H 1.32 . 1 268 . 43 LEU HD1 H .29 . 2 269 . 43 LEU HD2 H .33 . 2 270 . 44 SER H H 9.32 . 1 271 . 44 SER HA H 4.11 . 1 272 . 44 SER HB2 H 3.93 . 2 273 . 44 SER HB3 H 4.19 . 2 274 . 45 ASP H H 7.33 . 1 275 . 45 ASP HA H 4.61 . 1 276 . 45 ASP HB2 H 2.5 . 2 277 . 45 ASP HB3 H 3.04 . 2 278 . 46 GLY H H 7.99 . 1 279 . 46 GLY HA2 H 3.55 . 2 280 . 46 GLY HA3 H 4.18 . 2 281 . 47 ARG H H 7.88 . 1 282 . 47 ARG HA H 4.1 . 1 283 . 47 ARG HB2 H 1.31 . 2 284 . 47 ARG HB3 H 1.83 . 2 285 . 47 ARG HG2 H 1.57 . 1 286 . 47 ARG HG3 H 1.57 . 1 287 . 47 ARG HD2 H 2.86 . 2 288 . 47 ARG HD3 H 3.19 . 2 289 . 47 ARG HE H 8.04 . 1 290 . 48 GLU H H 8.09 . 1 291 . 48 GLU HA H 5.38 . 1 292 . 48 GLU HB2 H 1.8 . 2 293 . 48 GLU HB3 H 1.9 . 2 294 . 48 GLU HG2 H 2.1 . 1 295 . 48 GLU HG3 H 2.1 . 1 296 . 49 LEU H H 8.86 . 1 297 . 49 LEU HA H 4.76 . 1 298 . 49 LEU HB2 H 1.31 . 2 299 . 49 LEU HB3 H 1.4 . 2 300 . 49 LEU HG H 1.13 . 1 301 . 49 LEU HD1 H .1 . 2 302 . 49 LEU HD2 H .5 . 2 303 . 50 CYS H H 8.65 . 1 304 . 50 CYS HA H 5.9 . 1 305 . 50 CYS HB2 H 3.15 . 2 306 . 50 CYS HB3 H 4.07 . 2 307 . 51 LEU H H 8.29 . 1 308 . 51 LEU HA H 4.97 . 1 309 . 51 LEU HB2 H 1.27 . 2 310 . 51 LEU HB3 H 1.5 . 2 311 . 51 LEU HG H 1.02 . 1 312 . 51 LEU HD1 H .8 . 1 313 . 51 LEU HD2 H .8 . 1 314 . 52 ASP H H 9.17 . 1 315 . 52 ASP HA H 4.81 . 1 316 . 52 ASP HB2 H 2.56 . 2 317 . 52 ASP HB3 H 2.97 . 2 318 . 53 PRO HA H 4.02 . 1 319 . 53 PRO HB2 H 3.25 . 2 320 . 53 PRO HB3 H 3.4 . 2 321 . 53 PRO HG2 H 1.84 . 2 322 . 53 PRO HG3 H 1.97 . 2 323 . 53 PRO HD2 H 4.15 . 2 324 . 53 PRO HD3 H 4.22 . 2 325 . 54 LYS H H 8.03 . 1 326 . 54 LYS HA H 4.03 . 1 327 . 54 LYS HB2 H 1.85 . 1 328 . 54 LYS HB3 H 1.85 . 1 329 . 54 LYS HG2 H 1.48 . 1 330 . 54 LYS HG3 H 1.48 . 1 331 . 54 LYS HD2 H 1.74 . 1 332 . 54 LYS HD3 H 1.74 . 1 333 . 54 LYS HE2 H 3.06 . 1 334 . 54 LYS HE3 H 3.06 . 1 335 . 55 GLU H H 7.39 . 1 336 . 55 GLU HA H 4.26 . 1 337 . 55 GLU HB2 H 1.64 . 2 338 . 55 GLU HB3 H 1.83 . 2 339 . 55 GLU HG2 H 2.22 . 2 340 . 55 GLU HG3 H 2.39 . 2 341 . 56 ASN H H 8.96 . 1 342 . 56 ASN HA H 4.12 . 1 343 . 56 ASN HB2 H 2.84 . 2 344 . 56 ASN HB3 H 2.99 . 2 345 . 56 ASN HD21 H 6.94 . 2 346 . 56 ASN HD22 H 7.67 . 2 347 . 57 TRP H H 9.14 . 1 348 . 57 TRP HA H 4.29 . 1 349 . 57 TRP HB2 H 3.27 . 2 350 . 57 TRP HB3 H 3.51 . 2 351 . 57 TRP HD1 H 7.61 . 1 352 . 57 TRP HE1 H 10.12 . 1 353 . 57 TRP HE3 H 7.3 . 1 354 . 57 TRP HZ2 H 7.28 . 1 355 . 57 TRP HZ3 H 6.21 . 1 356 . 57 TRP HH2 H 7 . 1 357 . 58 VAL H H 5.8 . 1 358 . 58 VAL HA H 2.7 . 1 359 . 58 VAL HB H 1.93 . 1 360 . 58 VAL HG1 H .42 . 2 361 . 58 VAL HG2 H .33 . 2 362 . 59 GLN H H 7.38 . 1 363 . 59 GLN HA H 3.6 . 1 364 . 59 GLN HB2 H 2.05 . 2 365 . 59 GLN HB3 H 4.04 . 2 366 . 59 GLN HG2 H 1.93 . 2 367 . 59 GLN HG3 H 2.57 . 2 368 . 59 GLN HE21 H 6.62 . 2 369 . 59 GLN HE22 H 7.93 . 2 370 . 60 ARG H H 7.93 . 1 371 . 60 ARG HA H 4.21 . 1 372 . 60 ARG HB2 H 1.92 . 2 373 . 60 ARG HB3 H 2.04 . 2 374 . 60 ARG HG2 H 1.79 . 1 375 . 60 ARG HG3 H 1.79 . 1 376 . 60 ARG HD2 H 3.26 . 1 377 . 60 ARG HD3 H 3.26 . 1 378 . 61 VAL H H 8.47 . 1 379 . 61 VAL HA H 3.91 . 1 380 . 61 VAL HB H 2.28 . 1 381 . 61 VAL HG1 H 1.13 . 2 382 . 61 VAL HG2 H 1.21 . 2 383 . 62 VAL H H 8.38 . 1 384 . 62 VAL HA H 3.62 . 1 385 . 62 VAL HB H 2.17 . 1 386 . 62 VAL HG1 H .93 . 1 387 . 62 VAL HG2 H .93 . 1 388 . 63 GLU H H 7.54 . 1 389 . 63 GLU HA H 3.93 . 1 390 . 63 GLU HB2 H 2.16 . 2 391 . 63 GLU HB3 H 2.24 . 2 392 . 63 GLU HG2 H 2.4 . 1 393 . 63 GLU HG3 H 2.4 . 1 394 . 64 LYS H H 8.13 . 1 395 . 64 LYS HA H 4.02 . 1 396 . 64 LYS HB2 H 1.85 . 2 397 . 64 LYS HB3 H 2 . 2 398 . 64 LYS HG2 H 1.59 . 2 399 . 64 LYS HG3 H 2.06 . 2 400 . 64 LYS HD2 H 1.69 . 1 401 . 64 LYS HD3 H 1.69 . 1 402 . 64 LYS HE2 H 3 . 1 403 . 64 LYS HE3 H 3 . 1 404 . 65 PHE H H 8.5 . 1 405 . 65 PHE HA H 4.23 . 1 406 . 65 PHE HB2 H 3.21 . 2 407 . 65 PHE HB3 H 3.27 . 2 408 . 65 PHE HD1 H 7.14 . 1 409 . 65 PHE HD2 H 7.14 . 1 410 . 65 PHE HE1 H 7.2 . 1 411 . 65 PHE HE2 H 7.2 . 1 412 . 65 PHE HZ H 6.93 . 1 413 . 66 LEU H H 8.41 . 1 414 . 66 LEU HA H 3.43 . 1 415 . 66 LEU HB2 H 1.6 . 2 416 . 66 LEU HB3 H 1.68 . 2 417 . 66 LEU HG H 1.68 . 1 418 . 66 LEU HD1 H .86 . 1 419 . 66 LEU HD2 H .86 . 1 420 . 67 LYS H H 7.89 . 1 421 . 67 LYS HA H 3.89 . 1 422 . 67 LYS HB2 H 1.8 . 2 423 . 67 LYS HB3 H 1.85 . 2 424 . 67 LYS HG2 H 1.49 . 2 425 . 67 LYS HG3 H 1.53 . 2 426 . 67 LYS HD2 H 1.64 . 1 427 . 67 LYS HD3 H 1.64 . 1 428 . 67 LYS HE2 H 2.95 . 1 429 . 67 LYS HE3 H 2.95 . 1 430 . 68 ARG H H 7.49 . 1 431 . 68 ARG HA H 4.04 . 1 432 . 68 ARG HB2 H 1.83 . 2 433 . 68 ARG HB3 H 1.96 . 2 434 . 68 ARG HG2 H 1.41 . 2 435 . 68 ARG HG3 H 1.69 . 2 436 . 68 ARG HD2 H 3 . 1 437 . 68 ARG HD3 H 3 . 1 438 . 69 ALA H H 8.53 . 1 439 . 69 ALA HA H 3.98 . 1 440 . 69 ALA HB H .81 . 1 441 . 70 GLU H H 8.12 . 1 442 . 70 GLU HA H 3.82 . 1 443 . 70 GLU HB2 H 2.04 . 2 444 . 70 GLU HB3 H 2.1 . 2 445 . 70 GLU HG2 H 2.57 . 1 446 . 70 GLU HG3 H 2.57 . 1 447 . 71 ASN H H 7.43 . 1 448 . 71 ASN HA H 4.75 . 1 449 . 71 ASN HB2 H 2.65 . 2 450 . 71 ASN HB3 H 2.99 . 2 451 . 71 ASN HD21 H 6.94 . 2 452 . 71 ASN HD22 H 7.66 . 2 453 . 72 SER H H 7.67 . 1 454 . 72 SER HA H 4.14 . 1 455 . 72 SER HB2 H 3.9 . 1 456 . 72 SER HB3 H 3.9 . 1 stop_ save_