data_4914 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H chemical shift assignments for vMIP-II ; _BMRB_accession_number 4914 _BMRB_flat_file_name bmr4914.str _Entry_type original _Submission_date 2000-12-12 _Accession_date 2000-12-12 _Entry_origination author _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 Crump Matthew P. . 2 Elisseeva Elena . . 3 Gong Jiang-Hong . . 4 Clark-Lewis Ian . . 5 Sykes Brian D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 436 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-01-23 original author . stop_ _Original_release_date 2001-01-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure/Function of Human Herpesvirus-8 MIP-II (1-71) and the Antagonist N-terminal Segment (1-10) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21099872 _PubMed_ID 11165244 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Crump Matthew P. . 2 Elisseeva Elena . . 3 Gong Jiang-Hong . . 4 Clark-Lewis Ian . . 5 Sykes Brian D. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 489 _Journal_issue 2-3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 171 _Page_last 175 _Year 2001 _Details . loop_ _Keyword Anti-HIV chemokine CXCR4 vMIP-II stop_ save_ ################################## # Molecular system description # ################################## save_system_vMIP-II _Saveframe_category molecular_system _Mol_system_name vMIP-II _Abbreviation_common vMIP-II _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'vMIP-II subunit 1 monomer' $vMIP-II stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state nonomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'Chemokine receptor Inhibitor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_vMIP-II _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common vMIP-II _Abbreviation_common vMIP-II _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; LGASWHRPDKCCLGYQKRPL PQVLLSSWYPTSQLCSKPGV IFLTKRGRQVCADKSKDWVK KLMQQLPVTAR ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 GLY 3 ALA 4 SER 5 TRP 6 HIS 7 ARG 8 PRO 9 ASP 10 LYS 11 CYS 12 CYS 13 LEU 14 GLY 15 TYR 16 GLN 17 LYS 18 ARG 19 PRO 20 LEU 21 PRO 22 GLN 23 VAL 24 LEU 25 LEU 26 SER 27 SER 28 TRP 29 TYR 30 PRO 31 THR 32 SER 33 GLN 34 LEU 35 CYS 36 SER 37 LYS 38 PRO 39 GLY 40 VAL 41 ILE 42 PHE 43 LEU 44 THR 45 LYS 46 ARG 47 GLY 48 ARG 49 GLN 50 VAL 51 CYS 52 ALA 53 ASP 54 LYS 55 SER 56 LYS 57 ASP 58 TRP 59 VAL 60 LYS 61 LYS 62 LEU 63 MET 64 GLN 65 GLN 66 LEU 67 PRO 68 VAL 69 THR 70 ALA 71 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 BMRB 4852 vMIP-II 100.00 74 100.00 100.00 4.02e-43 PDB 1CM9 "Crystal Structure Of Viral Macrophage Inflammatory Protein-Ii" 100.00 74 98.59 98.59 4.80e-42 PDB 1HFG "Nmr Solution Structure Of Vmip-Ii 1-71 From Kaposi's Sarcoma-Associated Herpesvirus (Minimized Average Structure)." 100.00 71 100.00 100.00 3.83e-43 PDB 1HFN "Nmr Solution Structures Of Vmip-Ii 1-71 From Kaposi's Sarcoma-Associated Herpesvirus." 100.00 71 100.00 100.00 3.83e-43 PDB 1HHV "Solution Structure Of Virus Chemokine Vmip-Ii" 100.00 74 98.59 98.59 4.80e-42 PDB 1VMP "Structure Of The Anti-Hiv Chemokine Vmip-Ii" 100.00 71 100.00 100.00 3.83e-43 PDB 2FHT "Crystal Structure Of Viral Macrophage Inflammatory Protein- Ii" 100.00 71 100.00 100.00 3.83e-43 PDB 2FJ2 "Crystal Structure Of Viral Macrophage Inflammatory Protein- Ii" 100.00 71 100.00 100.00 3.83e-43 GB AAB61702 "vMIP-1B [Human herpesvirus 8]" 100.00 94 100.00 100.00 1.78e-43 GB AAB62642 "ORF K4 [Human herpesvirus 8]" 100.00 94 100.00 100.00 1.78e-43 GB AAC34941 "unknown [Human herpesvirus 8]" 100.00 94 100.00 100.00 1.78e-43 GB AAC57093 "ORF K4 [Human herpesvirus 8 type M]" 100.00 94 100.00 100.00 1.78e-43 GB ABD28861 "K4 [Human herpesvirus 8]" 100.00 94 100.00 100.00 1.78e-43 REF YP_001129362 "K4 [Human herpesvirus 8]" 100.00 94 100.00 100.00 1.78e-43 SP Q98157 "RecName: Full=Viral macrophage inflammatory protein 2; AltName: Full=Viral macrophage inflammatory protein II; Short=vMIP-II; A" 100.00 94 100.00 100.00 1.78e-43 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $vMIP-II 'HHV-8 (Kapsoi's sarcoma-associated herpesvirus)' . Viruses . Herpesvirus . 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 $vMIP-II 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $vMIP-II . mM . stop_ save_ ############################ # Computer software used # ############################ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Task 'Automated peak assignment with model chemokine structures.' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 500 _Details . save_ save_NMR_spectrometer3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _Sample_label . save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5 0.2 n/a temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 DSS H 1 'methyl protons' ppm 0.00 internal direct . internal . 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_CSR_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'vMIP-II subunit 1 monomer' _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 GLY HA2 H 4.00 0.02 1 2 . 2 GLY HA3 H 4.00 0.02 1 3 . 3 ALA H H 8.32 0.02 1 4 . 3 ALA HA H 4.31 0.02 1 5 . 3 ALA HB H 1.30 0.02 1 6 . 4 SER H H 8.28 0.02 1 7 . 4 SER HA H 4.41 0.02 1 8 . 4 SER HB2 H 3.81 0.02 1 9 . 4 SER HB3 H 3.81 0.02 1 10 . 5 TRP H H 8.02 0.02 1 11 . 5 TRP HA H 4.61 0.02 1 12 . 5 TRP HB2 H 3.21 0.02 1 13 . 5 TRP HB3 H 3.21 0.02 1 14 . 5 TRP HD1 H 7.22 0.02 1 15 . 5 TRP HE1 H 10.08 0.02 1 16 . 5 TRP HE3 H 7.52 0.02 1 17 . 5 TRP HZ2 H 7.43 0.02 1 18 . 5 TRP HZ3 H 7.00 0.02 1 19 . 5 TRP HH2 H 7.16 0.02 1 20 . 6 HIS H H 7.97 0.02 1 21 . 6 HIS HA H 4.46 0.02 1 22 . 6 HIS HB2 H 2.88 0.02 2 23 . 6 HIS HB3 H 3.02 0.02 2 24 . 6 HIS HD2 H 7.00 0.02 1 25 . 6 HIS HE1 H 8.37 0.02 1 26 . 7 ARG H H 8.09 0.02 1 27 . 7 ARG HA H 4.24 0.02 1 28 . 7 ARG HB2 H 1.59 0.02 2 29 . 7 ARG HB3 H 1.71 0.02 2 30 . 7 ARG HG2 H 1.41 0.02 3 31 . 7 ARG HG3 H 1.53 0.02 3 32 . 7 ARG HD2 H 3.09 0.02 3 33 . 7 ARG HD3 H 3.09 0.02 3 34 . 8 PRO HA H 4.40 0.02 1 35 . 8 PRO HB2 H 2.22 0.02 1 36 . 8 PRO HB3 H 2.22 0.02 1 37 . 8 PRO HG2 H 1.95 0.02 3 38 . 8 PRO HG3 H 2.03 0.02 3 39 . 8 PRO HD2 H 3.57 0.02 3 40 . 8 PRO HD3 H 3.69 0.02 3 41 . 9 ASP H H 8.42 0.02 1 42 . 9 ASP HA H 4.61 0.02 1 43 . 9 ASP HB2 H 2.65 0.02 1 44 . 9 ASP HB3 H 2.65 0.02 1 45 . 10 LYS H H 8.01 0.02 1 46 . 10 LYS HA H 4.49 0.02 1 47 . 10 LYS HB2 H 1.81 0.02 2 48 . 10 LYS HB3 H 1.93 0.02 2 49 . 10 LYS HG2 H 1.43 0.02 3 50 . 10 LYS HG3 H 1.43 0.02 3 51 . 10 LYS HD2 H 1.72 0.02 3 52 . 10 LYS HD3 H 1.72 0.02 3 53 . 10 LYS HE2 H 2.91 0.02 3 54 . 10 LYS HE3 H 2.91 0.02 3 55 . 11 CYS H H 8.26 0.02 1 56 . 11 CYS HA H 5.09 0.02 1 57 . 11 CYS HB2 H 2.67 0.02 1 58 . 11 CYS HB3 H 3.46 0.02 1 59 . 12 CYS H H 8.96 0.02 1 60 . 12 CYS HA H 4.61 0.02 1 61 . 12 CYS HB2 H 2.67 0.02 1 62 . 12 CYS HB3 H 2.67 0.02 1 63 . 13 LEU H H 8.85 0.02 1 64 . 13 LEU HA H 4.31 0.02 1 65 . 13 LEU HB2 H 1.61 0.02 1 66 . 13 LEU HB3 H 1.61 0.02 1 67 . 13 LEU HG H 1.61 0.02 1 68 . 13 LEU HD1 H 0.84 0.02 3 69 . 13 LEU HD2 H 0.92 0.02 3 70 . 14 GLY H H 7.38 0.02 1 71 . 14 GLY HA2 H 3.71 0.02 1 72 . 14 GLY HA3 H 3.71 0.02 1 73 . 15 TYR H H 8.18 0.02 1 74 . 15 TYR HA H 4.88 0.02 1 75 . 15 TYR HB2 H 2.70 0.02 1 76 . 15 TYR HB3 H 3.17 0.02 1 77 . 15 TYR HD1 H 6.88 0.02 1 78 . 15 TYR HD2 H 6.88 0.02 1 79 . 15 TYR HE1 H 6.72 0.02 1 80 . 15 TYR HE2 H 6.72 0.02 1 81 . 16 GLN H H 8.87 0.02 1 82 . 16 GLN HA H 4.35 0.02 1 83 . 16 GLN HB2 H 2.49 0.02 1 84 . 16 GLN HB3 H 2.10 0.02 1 85 . 16 GLN HG2 H 2.66 0.02 3 86 . 16 GLN HG3 H 2.66 0.02 3 87 . 16 GLN HE21 H 8.35 0.02 1 88 . 16 GLN HE22 H 6.92 0.02 1 89 . 17 LYS H H 8.78 0.02 1 90 . 17 LYS HA H 4.51 0.02 1 91 . 17 LYS HB2 H 1.95 0.02 1 92 . 17 LYS HB3 H 1.95 0.02 1 93 . 17 LYS HG2 H 1.53 0.02 3 94 . 17 LYS HG3 H 1.63 0.02 3 95 . 17 LYS HD2 H 1.77 0.02 3 96 . 17 LYS HD3 H 1.77 0.02 3 97 . 17 LYS HE2 H 3.10 0.02 3 98 . 17 LYS HE3 H 3.10 0.02 3 99 . 18 ARG H H 7.75 0.02 1 100 . 18 ARG HA H 4.45 0.02 1 101 . 18 ARG HB2 H 1.59 0.02 1 102 . 18 ARG HB3 H 1.59 0.02 1 103 . 18 ARG HG2 H 1.58 0.02 3 104 . 18 ARG HG3 H 1.58 0.02 3 105 . 18 ARG HD2 H 3.14 0.02 3 106 . 18 ARG HD3 H 3.14 0.02 3 107 . 18 ARG HE H 7.15 0.02 1 108 . 19 PRO HA H 1.84 0.02 1 109 . 19 PRO HB2 H 1.06 0.02 2 110 . 19 PRO HB3 H 1.13 0.02 2 111 . 19 PRO HG2 H 0.57 0.02 3 112 . 19 PRO HG3 H 1.59 0.02 3 113 . 19 PRO HD2 H 3.15 0.02 3 114 . 19 PRO HD3 H 3.51 0.02 3 115 . 20 LEU H H 5.41 0.02 1 116 . 20 LEU HA H 4.54 0.02 1 117 . 20 LEU HB2 H 1.37 0.02 1 118 . 20 LEU HB3 H 1.13 0.02 1 119 . 20 LEU HG H 1.60 0.02 1 120 . 20 LEU HD1 H 0.89 0.02 1 121 . 20 LEU HD2 H 0.84 0.02 1 122 . 21 PRO HA H 4.40 0.02 1 123 . 21 PRO HB2 H 1.90 0.02 1 124 . 21 PRO HB3 H 2.28 0.02 1 125 . 21 PRO HG2 H 1.99 0.02 3 126 . 21 PRO HG3 H 2.09 0.02 3 127 . 21 PRO HD2 H 3.46 0.02 3 128 . 21 PRO HD3 H 3.78 0.02 3 129 . 22 GLN H H 8.67 0.02 1 130 . 22 GLN HA H 3.58 0.02 1 131 . 22 GLN HB2 H 2.12 0.02 1 132 . 22 GLN HB3 H 1.97 0.02 1 133 . 22 GLN HG2 H 2.22 0.02 3 134 . 22 GLN HG3 H 2.35 0.02 3 135 . 22 GLN HE21 H 7.26 0.02 1 136 . 22 GLN HE22 H 6.82 0.02 1 137 . 23 VAL H H 7.81 0.02 1 138 . 23 VAL HA H 4.09 0.02 1 139 . 23 VAL HB H 2.28 0.02 1 140 . 23 VAL HG1 H 0.96 0.02 1 141 . 23 VAL HG2 H 1.03 0.02 1 142 . 24 LEU H H 7.41 0.02 1 143 . 24 LEU HA H 4.45 0.02 1 144 . 24 LEU HB2 H 1.73 0.02 2 145 . 24 LEU HG H 1.70 0.02 1 146 . 24 LEU HD1 H 0.95 0.02 3 147 . 24 LEU HD2 H 0.97 0.02 3 148 . 25 LEU H H 8.08 0.02 1 149 . 25 LEU HA H 4.81 0.02 1 150 . 25 LEU HB2 H 1.41 0.02 1 151 . 25 LEU HB3 H 2.07 0.02 1 152 . 25 LEU HG H 1.80 . 1 153 . 25 LEU HD1 H 0.66 0.02 1 154 . 25 LEU HD2 H 0.41 0.02 1 155 . 26 SER H H 9.20 0.02 1 156 . 26 SER HA H 4.78 0.02 1 157 . 26 SER HB2 H 3.59 0.02 2 158 . 26 SER HB3 H 3.74 0.02 2 159 . 27 SER H H 7.93 0.02 1 160 . 27 SER HA H 5.18 0.02 1 161 . 27 SER HB2 H 3.89 0.02 2 162 . 27 SER HB3 H 4.08 0.02 2 163 . 28 TRP H H 8.43 0.02 1 164 . 28 TRP HA H 5.92 0.02 1 165 . 28 TRP HB2 H 2.63 0.02 2 166 . 28 TRP HB3 H 2.93 0.02 2 167 . 28 TRP HD1 H 6.87 0.02 1 168 . 28 TRP HE1 H 9.63 0.02 1 169 . 28 TRP HE3 H 6.87 0.02 1 170 . 28 TRP HZ2 H 7.47 0.02 1 171 . 28 TRP HZ3 H 6.72 0.02 1 172 . 28 TRP HH2 H 7.10 0.02 1 173 . 29 TYR H H 8.94 0.02 1 174 . 29 TYR HA H 4.61 0.02 1 175 . 29 TYR HB2 H 2.91 0.02 2 176 . 29 TYR HB3 H 3.05 0.02 2 177 . 29 TYR HD1 H 7.05 0.02 1 178 . 29 TYR HD2 H 7.05 0.02 1 179 . 29 TYR HE1 H 6.61 0.02 1 180 . 29 TYR HE2 H 6.61 0.02 1 181 . 30 PRO HA H 5.13 0.02 1 182 . 30 PRO HB2 H 2.29 0.02 1 183 . 30 PRO HB3 H 2.46 0.02 1 184 . 30 PRO HG2 H 2.23 0.02 3 185 . 30 PRO HG3 H 2.23 0.02 3 186 . 30 PRO HD2 H 3.53 0.02 3 187 . 30 PRO HD3 H 3.70 0.02 3 188 . 31 THR H H 7.81 0.02 1 189 . 31 THR HA H 4.53 0.02 1 190 . 31 THR HB H 4.93 0.02 1 191 . 31 THR HG2 H 1.25 0.02 1 192 . 32 SER H H 8.82 0.02 1 193 . 32 SER HA H 4.38 0.02 1 194 . 32 SER HB2 H 4.00 0.02 2 195 . 32 SER HB3 H 4.15 0.02 2 196 . 33 GLN H H 9.10 0.02 1 197 . 33 GLN HA H 4.28 0.02 1 198 . 33 GLN HB2 H 2.13 0.02 2 199 . 33 GLN HB3 H 2.23 0.02 2 200 . 33 GLN HG2 H 2.47 0.02 3 201 . 33 GLN HG3 H 2.47 0.02 3 202 . 33 GLN HE21 H 7.57 0.02 1 203 . 33 GLN HE22 H 6.90 0.02 1 204 . 34 LEU H H 8.26 0.02 1 205 . 34 LEU HA H 4.28 0.02 1 206 . 34 LEU HB2 H 1.61 0.02 1 207 . 34 LEU HB3 H 1.61 0.02 1 208 . 34 LEU HG H 1.59 0.02 1 209 . 34 LEU HD1 H 0.84 0.02 3 210 . 34 LEU HD2 H 0.89 0.02 3 211 . 35 CYS H H 7.39 0.02 1 212 . 35 CYS HA H 4.63 0.02 1 213 . 35 CYS HB2 H 2.76 0.02 1 214 . 35 CYS HB3 H 3.45 0.02 1 215 . 36 SER H H 8.69 0.02 1 216 . 36 SER HA H 4.17 0.02 1 217 . 36 SER HB2 H 3.94 0.02 1 218 . 36 SER HB3 H 3.94 0.02 1 219 . 37 LYS H H 8.11 0.02 1 220 . 37 LYS HA H 4.77 0.02 1 221 . 37 LYS HB2 H 1.70 0.02 1 222 . 37 LYS HB3 H 1.70 0.02 1 223 . 37 LYS HG2 H 1.30 0.02 3 224 . 37 LYS HG3 H 1.30 0.02 3 225 . 37 LYS HD2 H 1.44 0.02 3 226 . 37 LYS HD3 H 1.44 0.02 3 227 . 38 PRO HA H 4.59 0.02 1 228 . 38 PRO HB2 H 1.91 0.02 1 229 . 38 PRO HB3 H 2.28 0.02 1 230 . 38 PRO HG2 H 2.06 0.02 1 231 . 38 PRO HG3 H 2.06 0.02 1 232 . 38 PRO HD2 H 3.64 0.02 2 233 . 38 PRO HD3 H 3.78 0.02 2 234 . 39 GLY H H 8.39 0.02 1 235 . 39 GLY HA2 H 4.17 0.02 2 236 . 39 GLY HA3 H 4.61 0.02 2 237 . 40 VAL H H 8.72 0.02 1 238 . 40 VAL HA H 4.68 0.02 1 239 . 40 VAL HB H 1.60 0.02 1 240 . 40 VAL HG1 H 0.49 0.02 1 241 . 40 VAL HG2 H 0.38 0.02 1 242 . 41 ILE H H 8.88 0.02 1 243 . 41 ILE HA H 4.59 0.02 1 244 . 41 ILE HB H 0.77 0.02 1 245 . 41 ILE HG12 H 0.88 0.02 1 246 . 41 ILE HG13 H 1.24 0.02 1 247 . 41 ILE HG2 H 0.62 0.02 1 248 . 41 ILE HD1 H 0.64 0.02 1 249 . 42 PHE H H 9.15 0.02 1 250 . 42 PHE HA H 5.27 0.02 1 251 . 42 PHE HB2 H 2.81 0.02 1 252 . 42 PHE HB3 H 3.01 0.02 1 253 . 42 PHE HD1 H 7.11 0.02 1 254 . 42 PHE HD2 H 7.11 0.02 1 255 . 42 PHE HE1 H 6.72 0.02 1 256 . 42 PHE HE2 H 6.72 0.02 1 257 . 42 PHE HZ H 6.87 0.02 1 258 . 43 LEU H H 8.99 0.02 1 259 . 43 LEU HA H 5.37 0.02 1 260 . 43 LEU HB2 H 1.71 0.02 2 261 . 43 LEU HG H 1.70 0.02 1 262 . 43 LEU HD1 H 0.62 0.02 3 263 . 43 LEU HD2 H 0.96 0.02 3 264 . 44 THR H H 9.42 0.02 1 265 . 44 THR HA H 5.04 0.02 1 266 . 44 THR HB H 4.93 0.02 1 267 . 44 THR HG2 H 1.25 0.02 1 268 . 45 LYS H H 8.78 0.02 1 269 . 45 LYS HA H 4.18 0.02 1 270 . 45 LYS HB2 H 1.73 0.02 1 271 . 45 LYS HB3 H 2.00 0.02 1 272 . 45 LYS HG2 H 1.27 0.02 3 273 . 45 LYS HG3 H 1.36 0.02 3 274 . 45 LYS HD2 H 1.77 0.02 3 275 . 45 LYS HD3 H 1.77 0.02 3 276 . 46 ARG H H 7.53 0.02 1 277 . 46 ARG HA H 4.52 0.02 1 278 . 46 ARG HB2 H 1.70 0.02 2 279 . 46 ARG HB3 H 2.17 0.02 2 280 . 46 ARG HG2 H 1.66 0.02 3 281 . 46 ARG HG3 H 1.66 0.02 3 282 . 46 ARG HD2 H 3.24 0.02 3 283 . 46 ARG HD3 H 3.24 0.02 3 284 . 46 ARG HE H 7.22 0.02 1 285 . 47 GLY H H 8.01 0.02 1 286 . 47 GLY HA2 H 3.68 0.02 2 287 . 47 GLY HA3 H 4.23 0.02 2 288 . 48 ARG H H 7.58 0.02 1 289 . 48 ARG HA H 4.57 0.02 1 290 . 48 ARG HB2 H 1.72 0.02 1 291 . 48 ARG HB3 H 1.84 0.02 1 292 . 48 ARG HG2 H 1.53 0.02 3 293 . 48 ARG HG3 H 1.67 0.02 3 294 . 48 ARG HD2 H 3.17 0.02 3 295 . 48 ARG HD3 H 3.17 0.02 3 296 . 48 ARG HE H 7.23 0.02 1 297 . 49 GLN H H 8.54 0.02 1 298 . 49 GLN HA H 5.30 0.02 1 299 . 49 GLN HB2 H 2.05 0.02 1 300 . 49 GLN HB3 H 1.95 0.02 1 301 . 49 GLN HG2 H 2.25 0.02 3 302 . 49 GLN HG3 H 2.50 0.02 3 303 . 49 GLN HE21 H 7.44 0.02 1 304 . 49 GLN HE22 H 6.93 0.02 1 305 . 50 VAL H H 9.46 0.02 1 306 . 50 VAL HA H 4.47 0.02 1 307 . 50 VAL HB H 2.16 0.02 1 308 . 50 VAL HG1 H 1.11 0.02 1 309 . 50 VAL HG2 H 0.92 0.02 1 310 . 51 CYS H H 9.46 0.02 1 311 . 51 CYS HA H 4.47 0.02 1 312 . 51 CYS HB2 H 3.47 0.02 1 313 . 51 CYS HB3 H 3.32 0.02 1 314 . 52 ALA H H 9.76 0.02 1 315 . 52 ALA HA H 4.90 0.02 1 316 . 52 ALA HB H 1.31 0.02 1 317 . 53 ASP H H 8.26 0.02 1 318 . 53 ASP HA H 3.92 0.02 1 319 . 53 ASP HB2 H 2.40 0.02 1 320 . 53 ASP HB3 H 1.34 0.02 1 321 . 54 LYS H H 7.71 0.02 1 322 . 54 LYS HA H 3.71 0.02 1 323 . 54 LYS HB2 H 1.43 0.02 2 324 . 54 LYS HB3 H 1.69 0.02 2 325 . 54 LYS HG2 H 1.09 0.02 3 326 . 54 LYS HG3 H 1.09 0.02 3 327 . 54 LYS HD2 H 1.49 0.02 3 328 . 54 LYS HD3 H 1.49 0.02 3 329 . 55 SER H H 8.33 0.02 1 330 . 55 SER HA H 4.19 0.02 1 331 . 55 SER HB2 H 3.77 0.02 2 332 . 55 SER HB3 H 3.89 0.02 2 333 . 56 LYS H H 7.31 0.02 1 334 . 56 LYS HA H 4.36 0.02 1 335 . 56 LYS HB2 H 1.50 0.02 1 336 . 56 LYS HB3 H 1.50 0.02 1 337 . 56 LYS HG2 H 1.28 0.02 3 338 . 56 LYS HG3 H 1.28 0.02 3 339 . 56 LYS HD2 H 1.66 0.02 3 340 . 56 LYS HD3 H 1.66 0.02 3 341 . 57 ASP H H 8.97 0.02 1 342 . 57 ASP HA H 4.14 0.02 1 343 . 57 ASP HB2 H 2.78 0.02 1 344 . 57 ASP HB3 H 2.78 0.02 1 345 . 58 TRP H H 8.59 0.02 1 346 . 58 TRP HA H 4.32 0.02 1 347 . 58 TRP HB2 H 3.52 0.02 1 348 . 58 TRP HB3 H 3.25 0.02 1 349 . 58 TRP HD1 H 7.70 0.02 1 350 . 58 TRP HE1 H 10.63 0.02 1 351 . 58 TRP HE3 H 7.36 0.02 1 352 . 58 TRP HZ2 H 7.31 0.02 1 353 . 58 TRP HZ3 H 6.53 0.02 1 354 . 58 TRP HH2 H 6.75 0.02 1 355 . 59 VAL H H 6.06 0.02 1 356 . 59 VAL HA H 2.98 0.02 1 357 . 59 VAL HB H 1.75 0.02 1 358 . 59 VAL HG1 H -0.78 0.02 1 359 . 59 VAL HG2 H 0.38 0.02 1 360 . 60 LYS H H 7.61 0.02 1 361 . 60 LYS HA H 4.01 0.02 1 362 . 60 LYS HB2 H 1.45 0.02 2 363 . 60 LYS HB3 H 1.72 0.02 2 364 . 60 LYS HG2 H 1.25 0.02 3 365 . 60 LYS HG3 H 1.25 0.02 3 366 . 60 LYS HD2 H 1.52 0.02 3 367 . 60 LYS HD3 H 1.52 0.02 3 368 . 61 LYS H H 7.79 0.02 1 369 . 61 LYS HA H 4.03 0.02 1 370 . 61 LYS HB2 H 1.83 0.02 1 371 . 61 LYS HB3 H 1.83 0.02 1 372 . 61 LYS HG2 H 1.44 0.02 3 373 . 61 LYS HG3 H 1.44 0.02 3 374 . 61 LYS HE2 H 2.98 0.02 3 375 . 61 LYS HE3 H 2.98 0.02 3 376 . 62 LEU H H 7.12 0.02 1 377 . 62 LEU HA H 4.07 0.02 1 378 . 62 LEU HB2 H 2.05 0.02 1 379 . 62 LEU HB3 H 1.17 0.02 1 380 . 62 LEU HG H 2.03 0.02 1 381 . 62 LEU HD1 H 0.67 0.02 1 382 . 62 LEU HD2 H 0.82 0.02 1 383 . 63 MET H H 8.00 0.02 1 384 . 63 MET HA H 2.95 0.02 1 385 . 63 MET HB2 H 1.43 0.02 2 386 . 63 MET HB3 H 1.69 0.02 2 387 . 63 MET HG2 H 1.81 0.02 2 388 . 63 MET HG3 H 0.18 0.02 2 389 . 63 MET HE H 1.49 0.02 1 390 . 64 GLN H H 7.18 0.02 1 391 . 64 GLN HA H 4.30 0.02 1 392 . 64 GLN HB2 H 2.25 0.02 1 393 . 64 GLN HB3 H 2.25 0.02 1 394 . 64 GLN HG2 H 2.45 0.02 3 395 . 64 GLN HG3 H 2.59 0.02 3 396 . 65 GLN H H 7.55 0.02 1 397 . 65 GLN HA H 4.39 0.02 1 398 . 65 GLN HB2 H 2.02 0.02 2 399 . 65 GLN HB3 H 2.26 0.02 2 400 . 65 GLN HG2 H 2.43 0.02 3 401 . 65 GLN HG3 H 2.56 0.02 3 402 . 66 LEU H H 7.99 0.02 1 403 . 66 LEU HA H 4.97 0.02 1 404 . 66 LEU HB2 H 2.18 0.02 1 405 . 66 LEU HB3 H 1.57 0.02 1 406 . 66 LEU HG H 1.82 0.02 1 407 . 66 LEU HD1 H 0.66 0.02 3 408 . 66 LEU HD2 H 0.66 0.02 3 409 . 67 PRO HA H 4.65 0.02 1 410 . 67 PRO HB2 H 1.95 0.02 1 411 . 67 PRO HB3 H 2.29 0.02 1 412 . 67 PRO HG2 H 2.17 0.02 3 413 . 67 PRO HG3 H 2.17 0.02 3 414 . 67 PRO HD2 H 3.88 0.02 3 415 . 67 PRO HD3 H 4.01 0.02 3 416 . 68 VAL H H 7.75 0.02 1 417 . 68 VAL HA H 4.00 0.02 1 418 . 68 VAL HB H 1.50 0.02 1 419 . 68 VAL HG1 H 0.62 0.02 1 420 . 68 VAL HG2 H 0.27 0.02 1 421 . 69 THR H H 8.66 0.02 1 422 . 69 THR HA H 3.99 0.02 1 423 . 69 THR HB H 3.68 0.02 1 424 . 69 THR HG2 H 1.08 0.02 1 425 . 70 ALA H H 8.20 0.02 1 426 . 70 ALA HA H 4.25 0.02 1 427 . 70 ALA HB H 1.31 0.02 1 428 . 71 ARG H H 7.68 0.02 1 429 . 71 ARG HA H 3.96 0.02 1 430 . 71 ARG HB2 H 1.49 0.02 2 431 . 71 ARG HB3 H 1.65 0.02 2 432 . 71 ARG HG2 H 1.35 0.02 3 433 . 71 ARG HG3 H 1.35 0.02 3 434 . 71 ARG HD2 H 2.90 0.02 3 435 . 71 ARG HD3 H 2.90 0.02 3 436 . 71 ARG HE H 7.00 0.02 1 stop_ save_