data_4314 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Assignments for the Human Chemokine HCC2 ; _BMRB_accession_number 4314 _BMRB_flat_file_name bmr4314.str _Entry_type original _Submission_date 1999-03-04 _Accession_date 1999-03-04 _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 Sticht Heinrich . . 2 Escher Sylvia E. . 3 Schweimer Kristian . . 4 Forssmann Wolf-Georg . . 5 Roesch Paul . . 6 Adermann Knut . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 401 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-03-22 original author . stop_ _Original_release_date 1999-03-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Sticht, H., Escher, S. E., Schweimer, K., Forssmann, W-G., Roesch, P., and Adermann, K., "Solution Structure of the Human CC chemokine 2:A Monomeric Representative of the CC chemokine Subtype," Biochemistry 38, 5995-6002 (1999). ; _Citation_title ; Solution Structure of the Human CC chemokine 2:A Monomeric Representative of the CC chemokine Subtype ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99255353 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sticht Heinrich . . 2 Escher Sylvia E. . 3 Schweimer Kristian . . 4 Forssmann Wolf-Georg . . 5 Roesch Paul . . 6 Adermann Knut . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 38 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5995 _Page_last 6002 _Year 1999 _Details . save_ ################################## # Molecular system description # ################################## save_system_HCC-2 _Saveframe_category molecular_system _Mol_system_name 'HCC-2 chemokine' _Abbreviation_common HCC-2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HCC-2 monomer' $HCC-2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HCC-2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HCC-2 _Abbreviation_common HCC-2 _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; HFAADCCTSYISQSIPCSLM KSYFETSSECSKPGVIFLTK KGRQVCAKPSGPGVQDCMKK LKPYSI ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 PHE 3 ALA 4 ALA 5 ASP 6 CYS 7 CYS 8 THR 9 SER 10 TYR 11 ILE 12 SER 13 GLN 14 SER 15 ILE 16 PRO 17 CYS 18 SER 19 LEU 20 MET 21 LYS 22 SER 23 TYR 24 PHE 25 GLU 26 THR 27 SER 28 SER 29 GLU 30 CYS 31 SER 32 LYS 33 PRO 34 GLY 35 VAL 36 ILE 37 PHE 38 LEU 39 THR 40 LYS 41 LYS 42 GLY 43 ARG 44 GLN 45 VAL 46 CYS 47 ALA 48 LYS 49 PRO 50 SER 51 GLY 52 PRO 53 GLY 54 VAL 55 GLN 56 ASP 57 CYS 58 MET 59 LYS 60 LYS 61 LEU 62 LYS 63 PRO 64 TYR 65 SER 66 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-20 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 2HCC "Solution Structure Of The Human Chemokine Hcc-2, Nmr, 30 Structures" 100.00 66 100.00 100.00 5.84e-39 DBJ BAG72997 "chemokine (C-C motif) ligand 15 [synthetic construct]" 100.00 113 100.00 100.00 7.30e-40 EMBL CAA94306 "chemokine CC-2 [Homo sapiens]" 100.00 113 100.00 100.00 7.30e-40 EMBL CAA94308 "chemokine CC-2 [Homo sapiens]" 100.00 113 100.00 100.00 7.30e-40 GB AAB94617 "MIP-1 delta [Homo sapiens]" 100.00 113 100.00 100.00 8.98e-40 GB AAC63328 "small inducible cytokine A15 precursor [Homo sapiens]" 100.00 113 100.00 100.00 7.30e-40 GB AAD10847 "chemokine [Homo sapiens]" 100.00 113 100.00 100.00 8.23e-40 GB AAI40942 "Chemokine (C-C motif) ligand 15 [Homo sapiens]" 100.00 113 100.00 100.00 7.30e-40 GB AIC55093 "CCL15, partial [synthetic construct]" 100.00 113 100.00 100.00 7.30e-40 REF NP_116741 "C-C motif chemokine 15 preproprotein [Homo sapiens]" 100.00 113 100.00 100.00 7.30e-40 REF XP_003315559 "PREDICTED: C-C motif chemokine 15 [Pan troglodytes]" 100.00 113 100.00 100.00 6.27e-40 REF XP_008969502 "PREDICTED: C-C motif chemokine 15 [Pan paniscus]" 100.00 113 100.00 100.00 6.27e-40 REF XP_008969503 "PREDICTED: C-C motif chemokine 15 [Pan paniscus]" 100.00 113 100.00 100.00 6.27e-40 REF XP_009430647 "PREDICTED: C-C motif chemokine 15 [Pan troglodytes]" 100.00 113 100.00 100.00 6.27e-40 SP Q16663 "RecName: Full=C-C motif chemokine 15; AltName: Full=Chemokine CC-2; Short=HCC-2; AltName: Full=Leukotactin-1; Short=LKN-1; AltN" 100.00 113 100.00 100.00 8.98e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HCC-2 Human 9606 Eukaryota Metazoa Homo sapiens 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 $HCC-2 'recombinant technology' Yeast Pichia pastoris . . 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 $HCC-2 1.7 mM . stop_ save_ ############################ # Computer software used # ############################ save_NDEE _Saveframe_category software _Name NDEE _Version 2.0 loop_ _Task ; data processing graphical data evaluation ; stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer-1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ save_NMR_spectrometer-2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 400 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _Sample_label . save_ save_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _Sample_label . save_ save_1H-1H_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H DQF-COSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H DQF-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.0 0.2 na temperature 298 1.2 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 _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'HCC-2 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 . 1 HIS HA H 4.28 0.01 1 2 . 1 HIS HB2 H 3.37 0.01 2 3 . 1 HIS HB3 H 3.32 0.01 2 4 . 1 HIS HD2 H 7.36 0.01 1 5 . 1 HIS HE1 H 8.64 0.01 1 6 . 2 PHE H H 8.69 0.01 1 7 . 2 PHE HA H 4.65 0.01 1 8 . 2 PHE HB2 H 3.03 0.01 1 9 . 2 PHE HB3 H 3.03 0.01 1 10 . 2 PHE HD1 H 7.22 0.01 1 11 . 2 PHE HD2 H 7.22 0.01 1 12 . 2 PHE HE1 H 7.30 0.01 1 13 . 2 PHE HE2 H 7.30 0.01 1 14 . 2 PHE HZ H 7.26 0.01 1 15 . 3 ALA H H 8.30 0.01 1 16 . 3 ALA HA H 4.28 0.01 1 17 . 3 ALA HB H 1.32 0.01 1 18 . 4 ALA H H 8.04 0.01 1 19 . 4 ALA HA H 4.26 0.01 1 20 . 4 ALA HB H 1.37 0.01 1 21 . 5 ASP H H 8.29 0.01 1 22 . 5 ASP HA H 4.81 0.01 1 23 . 5 ASP HB2 H 3.03 0.01 2 24 . 5 ASP HB3 H 2.86 0.01 2 25 . 6 CYS H H 8.07 0.01 1 26 . 6 CYS HA H 5.20 0.01 1 27 . 6 CYS HB2 H 3.54 0.01 2 28 . 6 CYS HB3 H 2.61 0.01 2 29 . 7 CYS H H 9.43 0.01 1 30 . 7 CYS HA H 4.82 0.01 1 31 . 7 CYS HB2 H 2.98 0.01 2 32 . 7 CYS HB3 H 2.60 0.01 2 33 . 8 THR H H 8.90 0.01 1 34 . 8 THR HA H 4.23 0.01 1 35 . 8 THR HB H 4.28 0.01 1 36 . 8 THR HG2 H 1.15 0.01 1 37 . 9 SER H H 7.62 0.01 1 38 . 9 SER HA H 4.27 0.01 1 39 . 9 SER HB2 H 3.79 0.01 1 40 . 9 SER HB3 H 3.79 0.01 1 41 . 10 TYR H H 8.30 0.01 1 42 . 10 TYR HA H 5.02 0.01 1 43 . 10 TYR HB2 H 3.08 0.01 2 44 . 10 TYR HB3 H 2.66 0.01 2 45 . 10 TYR HD1 H 6.87 0.01 1 46 . 10 TYR HD2 H 6.87 0.01 1 47 . 10 TYR HE1 H 6.80 0.01 1 48 . 10 TYR HE2 H 6.80 0.01 1 49 . 11 ILE H H 8.53 0.01 1 50 . 11 ILE HA H 4.46 0.01 1 51 . 11 ILE HB H 2.05 0.01 1 52 . 11 ILE HG12 H 1.65 0.01 2 53 . 11 ILE HG13 H 1.34 0.01 2 54 . 11 ILE HG2 H 0.81 0.01 1 55 . 11 ILE HD1 H 1.11 0.01 1 56 . 12 SER H H 8.64 0.01 1 57 . 12 SER HA H 4.67 0.01 1 58 . 12 SER HB2 H 3.98 0.01 2 59 . 12 SER HB3 H 3.92 0.01 2 60 . 13 GLN H H 7.49 0.01 1 61 . 13 GLN HA H 4.46 0.01 1 62 . 13 GLN HB2 H 2.16 0.01 2 63 . 13 GLN HB3 H 2.00 0.01 2 64 . 13 GLN HG2 H 2.36 0.01 1 65 . 13 GLN HG3 H 2.36 0.01 1 66 . 13 GLN HE21 H 7.47 0.01 2 67 . 13 GLN HE22 H 6.90 0.01 2 68 . 14 SER H H 8.36 0.01 1 69 . 14 SER HA H 4.14 0.01 1 70 . 14 SER HB2 H 3.69 0.01 2 71 . 14 SER HB3 H 3.65 0.01 2 72 . 15 ILE H H 7.14 0.01 1 73 . 15 ILE HA H 3.88 0.01 1 74 . 15 ILE HB H 1.54 0.01 1 75 . 15 ILE HG12 H 1.08 0.01 2 76 . 15 ILE HG13 H 0.74 0.01 2 77 . 15 ILE HG2 H 0.16 0.01 1 78 . 15 ILE HD1 H 0.34 0.01 1 79 . 16 PRO HA H 4.84 0.01 1 80 . 16 PRO HB2 H 1.94 0.01 1 81 . 16 PRO HB3 H 1.94 0.01 1 82 . 16 PRO HG2 H 2.18 0.01 2 83 . 16 PRO HG3 H 2.06 0.01 2 84 . 16 PRO HD2 H 3.96 0.01 2 85 . 16 PRO HD3 H 3.16 0.01 2 86 . 17 CYS H H 8.02 0.01 1 87 . 17 CYS HA H 3.89 0.01 1 88 . 17 CYS HB2 H 3.00 0.01 2 89 . 17 CYS HB3 H 2.96 0.01 2 90 . 18 SER H H 8.51 0.01 1 91 . 18 SER HA H 4.29 0.01 1 92 . 18 SER HB2 H 3.98 0.01 2 93 . 18 SER HB3 H 3.93 0.01 2 94 . 19 LEU H H 7.68 0.01 1 95 . 19 LEU HA H 4.46 0.01 1 96 . 19 LEU HB2 H 1.87 0.01 2 97 . 19 LEU HB3 H 1.80 0.01 2 98 . 19 LEU HG H 1.72 0.01 1 99 . 19 LEU HD1 H 0.96 0.01 2 100 . 19 LEU HD2 H 0.88 0.01 2 101 . 20 MET H H 8.05 0.01 1 102 . 20 MET HA H 4.98 0.01 1 103 . 20 MET HB2 H 2.51 0.01 2 104 . 20 MET HB3 H 2.02 0.01 2 105 . 20 MET HG2 H 2.74 0.01 2 106 . 20 MET HG3 H 2.37 0.01 2 107 . 20 MET HE H 1.77 0.01 1 108 . 21 LYS H H 9.53 0.01 1 109 . 21 LYS HA H 4.73 0.01 1 110 . 21 LYS HB2 H 1.69 0.01 1 111 . 21 LYS HB3 H 1.69 0.01 1 112 . 21 LYS HG2 H 1.36 0.01 1 113 . 21 LYS HG3 H 1.36 0.01 1 114 . 21 LYS HE2 H 3.01 0.01 1 115 . 21 LYS HE3 H 3.01 0.01 1 116 . 21 LYS HZ H 7.56 0.01 1 117 . 22 SER H H 7.99 0.01 1 118 . 22 SER HA H 4.73 0.01 1 119 . 22 SER HB2 H 4.10 0.01 2 120 . 22 SER HB3 H 3.84 0.01 2 121 . 23 TYR H H 7.99 0.01 1 122 . 23 TYR HA H 5.66 0.01 1 123 . 23 TYR HB2 H 2.41 0.01 2 124 . 23 TYR HB3 H 1.98 0.01 2 125 . 23 TYR HD1 H 6.58 0.01 1 126 . 23 TYR HD2 H 6.58 0.01 1 127 . 23 TYR HE1 H 6.78 0.01 1 128 . 23 TYR HE2 H 6.78 0.01 1 129 . 24 PHE H H 9.11 0.01 1 130 . 24 PHE HA H 4.70 0.01 1 131 . 24 PHE HB2 H 3.21 0.01 2 132 . 24 PHE HB3 H 3.02 0.01 2 133 . 24 PHE HD1 H 6.97 0.01 1 134 . 24 PHE HD2 H 6.97 0.01 1 135 . 24 PHE HE1 H 7.11 0.01 1 136 . 24 PHE HE2 H 7.11 0.01 1 137 . 24 PHE HZ H 7.19 0.01 1 138 . 25 GLU H H 8.94 0.01 1 139 . 25 GLU HA H 4.77 0.01 1 140 . 25 GLU HB2 H 2.34 0.01 2 141 . 25 GLU HB3 H 2.11 0.01 2 142 . 25 GLU HG2 H 2.66 0.01 2 143 . 25 GLU HG3 H 2.59 0.01 2 144 . 26 THR H H 8.11 0.01 1 145 . 26 THR HA H 4.50 0.01 1 146 . 26 THR HB H 5.01 0.01 1 147 . 26 THR HG2 H 1.36 0.01 1 148 . 27 SER H H 8.95 0.01 1 149 . 27 SER HA H 4.46 0.01 1 150 . 27 SER HB2 H 4.23 0.01 2 151 . 27 SER HB3 H 4.05 0.01 2 152 . 28 SER H H 9.00 0.01 1 153 . 28 SER HA H 4.35 0.01 1 154 . 28 SER HB2 H 4.08 0.01 2 155 . 28 SER HB3 H 4.02 0.01 2 156 . 29 GLU H H 8.36 0.01 1 157 . 29 GLU HA H 4.27 0.01 1 158 . 29 GLU HB2 H 1.91 0.01 2 159 . 29 GLU HB3 H 1.87 0.01 2 160 . 29 GLU HG2 H 2.44 0.01 2 161 . 29 GLU HG3 H 2.14 0.01 2 162 . 30 CYS H H 7.61 0.01 1 163 . 30 CYS HA H 4.69 0.01 1 164 . 30 CYS HB2 H 3.57 0.01 2 165 . 30 CYS HB3 H 2.86 0.01 2 166 . 31 SER H H 8.76 0.01 1 167 . 31 SER HA H 4.17 0.01 1 168 . 31 SER HB2 H 3.97 0.01 1 169 . 31 SER HB3 H 3.97 0.01 1 170 . 32 LYS H H 8.08 0.01 1 171 . 32 LYS HA H 4.87 0.01 1 172 . 32 LYS HB2 H 1.79 0.01 1 173 . 32 LYS HB3 H 1.79 0.01 1 174 . 32 LYS HG2 H 1.43 0.01 2 175 . 32 LYS HG3 H 1.88 0.01 2 176 . 32 LYS HD2 H 1.64 0.01 1 177 . 32 LYS HD3 H 1.64 0.01 1 178 . 32 LYS HE2 H 2.96 0.01 1 179 . 32 LYS HE3 H 2.96 0.01 1 180 . 32 LYS HZ H 7.54 0.01 1 181 . 33 PRO HA H 4.65 0.01 1 182 . 33 PRO HB2 H 2.32 0.01 2 183 . 33 PRO HB3 H 1.81 0.01 2 184 . 33 PRO HG2 H 2.05 0.01 2 185 . 33 PRO HG3 H 1.96 0.01 2 186 . 33 PRO HD2 H 3.82 0.01 2 187 . 33 PRO HD3 H 3.65 0.01 2 188 . 34 GLY H H 8.46 0.01 1 189 . 34 GLY HA2 H 4.64 0.01 2 190 . 34 GLY HA3 H 4.03 0.01 2 191 . 35 VAL H H 9.00 0.01 1 192 . 35 VAL HA H 4.30 0.01 1 193 . 35 VAL HB H 1.68 0.01 1 194 . 35 VAL HG1 H 0.79 0.01 2 195 . 35 VAL HG2 H 0.25 0.01 2 196 . 36 ILE H H 8.67 0.01 1 197 . 36 ILE HA H 4.64 0.01 1 198 . 36 ILE HB H 0.57 0.01 1 199 . 36 ILE HG12 H 1.31 0.01 1 200 . 36 ILE HG13 H 1.31 0.01 1 201 . 36 ILE HG2 H 0.50 0.01 1 202 . 36 ILE HD1 H 0.79 0.01 1 203 . 37 PHE H H 9.24 0.01 1 204 . 37 PHE HA H 4.83 0.01 1 205 . 37 PHE HB2 H 3.49 0.01 2 206 . 37 PHE HB3 H 2.81 0.01 2 207 . 37 PHE HD1 H 7.12 0.01 1 208 . 37 PHE HD2 H 7.12 0.01 1 209 . 37 PHE HE1 H 6.87 0.01 1 210 . 37 PHE HE2 H 6.87 0.01 1 211 . 38 LEU H H 8.56 0.01 1 212 . 38 LEU HA H 5.30 0.01 1 213 . 38 LEU HB2 H 1.57 0.01 1 214 . 38 LEU HB3 H 1.57 0.01 1 215 . 38 LEU HG H 1.52 0.01 1 216 . 38 LEU HD1 H 0.77 0.01 1 217 . 38 LEU HD2 H 0.77 0.01 1 218 . 39 THR H H 9.49 0.01 1 219 . 39 THR HA H 5.11 0.01 1 220 . 39 THR HB H 4.85 0.01 1 221 . 39 THR HG1 H 6.21 0.01 1 222 . 39 THR HG2 H 1.31 0.01 1 223 . 40 LYS H H 8.84 0.01 1 224 . 40 LYS HA H 3.97 0.01 1 225 . 40 LYS HB2 H 2.07 0.01 2 226 . 40 LYS HB3 H 1.81 0.01 2 227 . 40 LYS HG2 H 1.41 0.01 2 228 . 40 LYS HG3 H 1.29 0.01 2 229 . 40 LYS HD2 H 1.72 0.01 2 230 . 40 LYS HD3 H 1.68 0.01 2 231 . 40 LYS HE2 H 2.99 0.01 1 232 . 40 LYS HE3 H 2.99 0.01 1 233 . 40 LYS HZ H 7.55 0.01 1 234 . 41 LYS H H 7.52 0.01 1 235 . 41 LYS HA H 4.49 0.01 1 236 . 41 LYS HB2 H 2.12 0.01 2 237 . 41 LYS HB3 H 1.63 0.01 2 238 . 41 LYS HG2 H 1.54 0.01 2 239 . 41 LYS HG3 H 1.41 0.01 2 240 . 41 LYS HD2 H 1.69 0.01 1 241 . 41 LYS HD3 H 1.69 0.01 1 242 . 41 LYS HE2 H 3.02 0.01 1 243 . 41 LYS HE3 H 3.02 0.01 1 244 . 42 GLY H H 8.05 0.01 1 245 . 42 GLY HA2 H 4.25 0.01 2 246 . 42 GLY HA3 H 3.66 0.01 2 247 . 43 ARG H H 7.65 0.01 1 248 . 43 ARG HA H 4.58 0.01 1 249 . 43 ARG HB2 H 1.92 0.01 2 250 . 43 ARG HB3 H 1.71 0.01 2 251 . 43 ARG HG2 H 1.65 0.01 2 252 . 43 ARG HG3 H 1.52 0.01 2 253 . 43 ARG HD2 H 3.23 0.01 2 254 . 43 ARG HD3 H 3.16 0.01 2 255 . 43 ARG HE H 7.18 0.01 1 256 . 44 GLN H H 8.62 0.01 1 257 . 44 GLN HA H 5.20 0.01 1 258 . 44 GLN HB2 H 2.01 0.01 2 259 . 44 GLN HB3 H 1.91 0.01 2 260 . 44 GLN HG2 H 2.54 0.01 2 261 . 44 GLN HG3 H 2.13 0.01 2 262 . 44 GLN HE21 H 7.43 0.01 2 263 . 44 GLN HE22 H 7.00 0.01 2 264 . 45 VAL H H 9.48 0.01 1 265 . 45 VAL HA H 4.36 0.01 1 266 . 45 VAL HB H 2.04 0.01 1 267 . 45 VAL HG1 H 0.91 0.01 2 268 . 45 VAL HG2 H 0.85 0.01 2 269 . 46 CYS H H 8.80 0.01 1 270 . 46 CYS HA H 5.24 0.01 1 271 . 46 CYS HB2 H 3.46 0.01 2 272 . 46 CYS HB3 H 3.18 0.01 2 273 . 47 ALA H H 9.75 0.01 1 274 . 47 ALA HA H 5.12 0.01 1 275 . 47 ALA HB H 1.59 0.01 1 276 . 48 LYS H H 8.80 0.01 1 277 . 48 LYS HA H 4.02 0.01 1 278 . 48 LYS HB2 H 1.48 0.01 2 279 . 48 LYS HB3 H 1.16 0.01 2 280 . 48 LYS HG2 H 0.89 0.01 2 281 . 48 LYS HG3 H 0.66 0.01 2 282 . 48 LYS HD2 H 1.38 0.01 1 283 . 48 LYS HD3 H 1.38 0.01 1 284 . 48 LYS HE2 H 2.69 0.01 1 285 . 48 LYS HE3 H 2.69 0.01 1 286 . 48 LYS HZ H 7.48 0.01 1 287 . 49 PRO HA H 4.12 0.01 1 288 . 49 PRO HB2 H 2.29 0.01 2 289 . 49 PRO HB3 H 1.94 0.01 2 290 . 49 PRO HG2 H 2.12 0.01 2 291 . 49 PRO HG3 H 1.79 0.01 2 292 . 49 PRO HD2 H 3.64 0.01 1 293 . 49 PRO HD3 H 3.64 0.01 1 294 . 50 SER H H 7.32 0.01 1 295 . 50 SER HA H 4.70 0.01 1 296 . 50 SER HB2 H 4.09 0.01 2 297 . 50 SER HB3 H 3.78 0.01 2 298 . 51 GLY H H 8.13 0.01 1 299 . 51 GLY HA2 H 4.21 0.01 2 300 . 51 GLY HA3 H 3.79 0.01 2 301 . 52 PRO HA H 4.48 0.01 1 302 . 52 PRO HB2 H 2.25 0.01 2 303 . 52 PRO HB3 H 1.86 0.01 2 304 . 52 PRO HG2 H 2.13 0.01 2 305 . 52 PRO HG3 H 1.98 0.01 2 306 . 52 PRO HD2 H 3.66 0.01 1 307 . 52 PRO HD3 H 3.66 0.01 1 308 . 53 GLY H H 9.15 0.01 1 309 . 53 GLY HA2 H 4.15 0.01 2 310 . 53 GLY HA3 H 3.93 0.01 2 311 . 54 VAL H H 7.68 0.01 1 312 . 54 VAL HA H 3.36 0.01 1 313 . 54 VAL HB H 2.07 0.01 1 314 . 54 VAL HG1 H 1.06 0.01 2 315 . 54 VAL HG2 H 0.96 0.01 2 316 . 55 GLN H H 8.91 0.01 1 317 . 55 GLN HA H 4.09 0.01 1 318 . 55 GLN HB2 H 2.14 0.01 2 319 . 55 GLN HB3 H 1.96 0.01 2 320 . 55 GLN HG2 H 2.60 0.01 2 321 . 55 GLN HG3 H 2.51 0.01 2 322 . 55 GLN HE21 H 7.68 0.01 2 323 . 55 GLN HE22 H 6.86 0.01 2 324 . 56 ASP H H 8.83 0.01 1 325 . 56 ASP HA H 4.32 0.01 1 326 . 56 ASP HB2 H 2.61 0.01 2 327 . 56 ASP HB3 H 2.53 0.01 2 328 . 57 CYS H H 7.71 0.01 1 329 . 57 CYS HA H 4.77 0.01 1 330 . 57 CYS HB2 H 3.26 0.01 2 331 . 57 CYS HB3 H 2.62 0.01 2 332 . 58 MET H H 8.45 0.01 1 333 . 58 MET HA H 3.44 0.01 1 334 . 58 MET HB2 H 1.90 0.01 2 335 . 58 MET HB3 H 1.72 0.01 2 336 . 58 MET HG2 H 2.25 0.01 2 337 . 58 MET HG3 H 0.70 0.01 2 338 . 58 MET HE H 1.83 0.01 1 339 . 59 LYS H H 7.24 0.01 1 340 . 59 LYS HA H 4.12 0.01 1 341 . 59 LYS HB2 H 1.95 0.01 2 342 . 59 LYS HB3 H 1.91 0.01 2 343 . 59 LYS HG2 H 1.53 0.01 1 344 . 59 LYS HG3 H 1.53 0.01 1 345 . 59 LYS HD2 H 1.73 0.01 2 346 . 59 LYS HD3 H 1.68 0.01 2 347 . 59 LYS HE2 H 3.02 0.01 1 348 . 59 LYS HE3 H 3.02 0.01 1 349 . 60 LYS H H 7.56 0.01 1 350 . 60 LYS HA H 4.31 0.01 1 351 . 60 LYS HB2 H 2.04 0.01 1 352 . 60 LYS HB3 H 2.04 0.01 1 353 . 60 LYS HG2 H 1.51 0.01 1 354 . 60 LYS HG3 H 1.51 0.01 1 355 . 60 LYS HD2 H 1.67 0.01 1 356 . 60 LYS HD3 H 1.67 0.01 1 357 . 60 LYS HE2 H 2.99 0.01 1 358 . 60 LYS HE3 H 2.99 0.01 1 359 . 61 LEU H H 7.69 0.01 1 360 . 61 LEU HA H 4.72 0.01 1 361 . 61 LEU HB2 H 1.65 0.01 1 362 . 61 LEU HB3 H 1.65 0.01 1 363 . 61 LEU HG H 1.99 0.01 1 364 . 61 LEU HD1 H 0.94 0.01 2 365 . 61 LEU HD2 H 0.80 0.01 2 366 . 62 LYS H H 8.17 0.01 1 367 . 62 LYS HA H 4.80 0.01 1 368 . 62 LYS HB2 H 1.91 0.01 1 369 . 62 LYS HB3 H 1.91 0.01 1 370 . 62 LYS HG2 H 1.56 0.01 1 371 . 62 LYS HG3 H 1.56 0.01 1 372 . 62 LYS HD2 H 1.76 0.01 1 373 . 62 LYS HD3 H 1.76 0.01 1 374 . 62 LYS HE2 H 3.04 0.01 1 375 . 62 LYS HE3 H 3.04 0.01 1 376 . 63 PRO HA H 4.17 0.01 1 377 . 63 PRO HB2 H 2.02 0.01 2 378 . 63 PRO HB3 H 1.69 0.01 2 379 . 63 PRO HG2 H 1.99 0.01 1 380 . 63 PRO HG3 H 1.99 0.01 1 381 . 63 PRO HD2 H 3.84 0.01 2 382 . 63 PRO HD3 H 3.64 0.01 2 383 . 64 TYR H H 8.35 0.01 1 384 . 64 TYR HA H 4.53 0.01 1 385 . 64 TYR HB2 H 3.07 0.01 2 386 . 64 TYR HB3 H 2.91 0.01 2 387 . 64 TYR HD1 H 7.00 0.01 1 388 . 64 TYR HD2 H 7.00 0.01 1 389 . 64 TYR HE1 H 6.72 0.01 1 390 . 64 TYR HE2 H 6.72 0.01 1 391 . 65 SER H H 7.82 0.01 1 392 . 65 SER HA H 4.37 0.01 1 393 . 65 SER HB2 H 3.69 0.01 2 394 . 65 SER HB3 H 3.65 0.01 2 395 . 66 ILE H H 7.75 0.01 1 396 . 66 ILE HA H 4.13 0.01 1 397 . 66 ILE HB H 1.76 0.01 1 398 . 66 ILE HG12 H 1.35 0.01 2 399 . 66 ILE HG13 H 1.09 0.01 2 400 . 66 ILE HG2 H 0.81 0.01 1 401 . 66 ILE HD1 H 0.82 0.01 1 stop_ save_