data_6855 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence specific assignment of SH3 domain B from human CIN85 protein ; _BMRB_accession_number 6855 _BMRB_flat_file_name bmr6855.str _Entry_type original _Submission_date 2005-10-07 _Accession_date 2005-10-10 _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 Ababou Abdessamad . . 2 Ladbury John E. . 3 Pfuhl Mark . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 373 "13C chemical shifts" 218 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-10-20 original author . stop_ _Original_release_date 2005-10-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence specific assignment of SH3 domain B from human CIN85 protein' _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ababou Abdessamad . . 2 Ladbury John E. . 3 Pfuhl Mark . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CIN85 B domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CIN85 B domain' $CIN85_B_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CIN85_B_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CIN85_B _Molecular_mass . _Mol_thiol_state 'all free' _Details 'our assignement start at residue 93 and end at 164. Please keep the extact numbering' ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; SMTGGQQMGTNKRGERRRRR CQVAFSYLPQNDDELELKVG DIIEVVGEVEEGWWEGVLNG KTGMFPSNFIKELSGESDEL GISQLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 83 SER 2 84 MET 3 85 THR 4 86 GLY 5 87 GLY 6 88 GLN 7 89 GLN 8 90 MET 9 91 GLY 10 92 THR 11 93 ASN 12 94 LYS 13 95 ARG 14 96 GLY 15 97 GLU 16 98 ARG 17 99 ARG 18 100 ARG 19 101 ARG 20 102 ARG 21 103 CYS 22 104 GLN 23 105 VAL 24 106 ALA 25 107 PHE 26 108 SER 27 109 TYR 28 110 LEU 29 111 PRO 30 112 GLN 31 113 ASN 32 114 ASP 33 115 ASP 34 116 GLU 35 117 LEU 36 118 GLU 37 119 LEU 38 120 LYS 39 121 VAL 40 122 GLY 41 123 ASP 42 124 ILE 43 125 ILE 44 126 GLU 45 127 VAL 46 128 VAL 47 129 GLY 48 130 GLU 49 131 VAL 50 132 GLU 51 133 GLU 52 134 GLY 53 135 TRP 54 136 TRP 55 137 GLU 56 138 GLY 57 139 VAL 58 140 LEU 59 141 ASN 60 142 GLY 61 143 LYS 62 144 THR 63 145 GLY 64 146 MET 65 147 PHE 66 148 PRO 67 149 SER 68 150 ASN 69 151 PHE 70 152 ILE 71 153 LYS 72 154 GLU 73 155 LEU 74 156 SER 75 157 GLY 76 158 GLU 77 159 SER 78 160 ASP 79 161 GLU 80 162 LEU 81 163 GLY 82 164 ILE 83 165 SER 84 166 GLN 85 167 LEU 86 168 GLU 87 169 HIS 88 170 HIS 89 171 HIS 90 172 HIS 91 173 HIS 92 174 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 11179 "SH3 domain" 64.13 68 98.31 98.31 1.26e-33 PDB 1WI7 "Solution Structure Of The Sh3 Domain Of Sh3-Domain Kinase Binding Protein 1" 64.13 68 98.31 98.31 1.26e-33 PDB 2O2O "Solution Structure Of Domain B From Human Cin85 Protein" 100.00 92 98.91 98.91 1.13e-58 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CIN85_B_domain 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 $CIN85_B_domain 'recombinant technology' 'E. coli' . . . . 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 $CIN85_B_domain 1 mM [U-15N] PO4 20 mM no NaCl 100 mM no EDTA 1 mM no DTT 2 mM no NaN3 0.01 % no stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CIN85_B_domain 1.0 mM '[U-15N; U-13C]' PO4 20 mM no NaCl 100 mM no EDTA 1 mM no DTT 2 mM no NaN3 0.01 % no stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 290302 loop_ _Task 'Data processing' stop_ _Details . save_ save_ANSIG _Saveframe_category software _Name ANSIG _Version 3.3 loop_ _Task 'NMR assignments' stop_ _Details . save_ save_software_1 _Saveframe_category software _Name software_1 _Version . loop_ _Task 'NMR assignments' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 600 _Details . save_ save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model AVANCE _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_1H-15N_HSQC _Sample_label $sample_1 save_ save_3D_1H-1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H-1H-15N_TOCSY _Sample_label $sample_1 save_ save_3D_1H-1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H-1H-15N_NOESY _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_1H-13C_HSQC _Sample_label $sample_2 save_ save_3D_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_CBCANH _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_CBCA(CO)NH _Sample_label $sample_2 save_ save_3D_HBHACBCANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HBHACBCANH _Sample_label $sample_2 save_ save_3D_HBHACBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HBHACBCA(CO)NH _Sample_label $sample_2 save_ save_3D_1H-13C-1H_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H-13C-1H_HCCH-COSY _Sample_label $sample_2 save_ save_3D_1H-13C-1H_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_1H-13C-1H_HCCH-TOCSY _Sample_label $sample_2 save_ save_3D_13C-1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-1H-1H_NOESY _Sample_label $sample_2 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCO _Sample_label $sample_2 save_ save_3D_13C-1H-1H_TOCSY_Aromatics_13 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-1H-1H_TOCSY_Aromatics _Sample_label $sample_2 save_ save_3D_13C-1H-1H_NOESY_Aromatics_14 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-1H-1H_NOESY_Aromatics _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.1 0.02 M pH 6.3 0.1 pH temperature 298 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe $ANSIG stop_ loop_ _Experiment_label 2D_1H-15N_HSQC 3D_1H-1H-15N_TOCSY 3D_1H-1H-15N_NOESY 2D_1H-13C_HSQC 3D_CBCANH 3D_CBCA(CO)NH 3D_HBHACBCANH 3D_HBHACBCA(CO)NH 3D_1H-13C-1H_HCCH-COSY 3D_1H-13C-1H_HCCH-TOCSY 3D_13C-1H-1H_NOESY 3D_HNCO 3D_13C-1H-1H_TOCSY_Aromatics 3D_13C-1H-1H_NOESY_Aromatics stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'CIN85 B domain' _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 93 11 ASN H H 8.319 0.005 1 2 93 11 ASN CA C 54.734 0.050 1 3 93 11 ASN CB C 41.475 0.050 1 4 93 11 ASN N N 122.538 0.050 1 5 94 12 LYS H H 8.332 0.005 1 6 94 12 LYS HA H 4.536 0.005 1 7 94 12 LYS CA C 56.195 0.050 1 8 94 12 LYS CB C 30.482 0.050 1 9 94 12 LYS N N 120.935 0.050 1 10 95 13 ARG H H 8.235 0.005 1 11 95 13 ARG HA H 4.288 0.005 1 12 95 13 ARG HB2 H 1.813 0.005 2 13 95 13 ARG HB3 H 1.676 0.005 2 14 95 13 ARG HG2 H 1.536 0.005 1 15 95 13 ARG HG3 H 1.536 0.005 1 16 95 13 ARG CA C 56.536 0.050 1 17 95 13 ARG CB C 31.185 0.050 1 18 95 13 ARG N N 120.613 0.050 1 19 96 14 GLY H H 8.534 0.005 1 20 96 14 GLY HA2 H 3.948 0.005 1 21 96 14 GLY HA3 H 3.948 0.005 1 22 96 14 GLY CA C 45.664 0.050 1 23 96 14 GLY N N 110.296 0.050 1 24 97 15 GLU H H 8.307 0.005 1 25 97 15 GLU HA H 4.269 0.005 1 26 97 15 GLU HB2 H 2.044 0.005 2 27 97 15 GLU HB3 H 1.862 0.005 2 28 97 15 GLU CA C 56.823 0.050 1 29 97 15 GLU CB C 30.672 0.050 1 30 97 15 GLU N N 120.447 0.050 1 31 98 16 ARG H H 8.276 0.005 1 32 98 16 ARG HA H 4.255 0.005 1 33 98 16 ARG HB2 H 1.703 0.005 1 34 98 16 ARG HB3 H 1.703 0.005 1 35 98 16 ARG CA C 56.289 0.050 1 36 98 16 ARG CB C 30.974 0.050 1 37 98 16 ARG N N 121.973 0.050 1 38 99 17 ARG H H 8.272 0.005 1 39 99 17 ARG HA H 4.249 0.005 1 40 99 17 ARG HB2 H 1.793 0.005 2 41 99 17 ARG HB3 H 1.698 0.005 2 42 99 17 ARG CA C 56.146 0.050 1 43 99 17 ARG CB C 31.217 0.050 1 44 99 17 ARG N N 122.509 0.050 1 45 100 18 ARG H H 8.338 0.005 1 46 100 18 ARG HA H 4.406 0.005 1 47 100 18 ARG HB2 H 1.749 0.005 2 48 100 18 ARG HB3 H 1.635 0.005 2 49 100 18 ARG CA C 56.259 0.050 1 50 100 18 ARG CB C 31.636 0.050 1 51 100 18 ARG N N 122.938 0.050 1 52 101 19 ARG H H 8.483 0.005 1 53 101 19 ARG HA H 4.463 0.005 1 54 101 19 ARG HB2 H 1.676 0.005 1 55 101 19 ARG HB3 H 1.676 0.005 1 56 101 19 ARG CA C 55.948 0.050 1 57 101 19 ARG CB C 32.295 0.050 1 58 101 19 ARG N N 122.941 0.050 1 59 102 20 ARG H H 8.683 0.005 1 60 102 20 ARG HA H 5.354 0.005 1 61 102 20 ARG HB2 H 1.685 0.005 2 62 102 20 ARG HB3 H 1.585 0.005 2 63 102 20 ARG CA C 55.392 0.050 1 64 102 20 ARG CB C 33.794 0.050 1 65 102 20 ARG N N 122.187 0.050 1 66 103 21 CYS H H 8.963 0.005 1 67 103 21 CYS HA H 5.017 0.005 1 68 103 21 CYS HB2 H 2.980 0.005 2 69 103 21 CYS HB3 H 2.618 0.005 2 70 103 21 CYS CA C 57.045 0.050 1 71 103 21 CYS CB C 33.060 0.050 1 72 103 21 CYS N N 117.160 0.050 1 73 104 22 GLN H H 8.968 0.005 1 74 104 22 GLN HA H 5.389 0.005 1 75 104 22 GLN HB2 H 1.815 0.005 2 76 104 22 GLN HB3 H 1.696 0.005 2 77 104 22 GLN HG2 H 1.990 0.005 1 78 104 22 GLN HG3 H 1.990 0.005 1 79 104 22 GLN CA C 53.686 0.050 1 80 104 22 GLN CB C 32.945 0.050 1 81 104 22 GLN CG C 33.943 0.050 1 82 104 22 GLN N N 120.822 0.050 1 83 105 23 VAL H H 9.102 0.005 1 84 105 23 VAL HA H 3.756 0.005 1 85 105 23 VAL HB H 2.163 0.005 1 86 105 23 VAL HG1 H 0.863 0.005 2 87 105 23 VAL HG2 H 0.721 0.005 2 88 105 23 VAL CA C 65.054 0.050 1 89 105 23 VAL CB C 32.283 0.050 1 90 105 23 VAL CG1 C 24.160 0.050 2 91 105 23 VAL CG2 C 24.933 0.050 2 92 105 23 VAL N N 125.793 0.050 1 93 106 24 ALA H H 9.066 0.005 1 94 106 24 ALA HA H 4.194 0.005 1 95 106 24 ALA HB H 0.851 0.005 1 96 106 24 ALA CA C 52.737 0.050 1 97 106 24 ALA CB C 21.233 0.050 1 98 106 24 ALA N N 133.118 0.050 1 99 107 25 PHE H H 7.367 0.005 1 100 107 25 PHE HA H 4.561 0.005 1 101 107 25 PHE HB2 H 2.916 0.005 2 102 107 25 PHE HB3 H 2.289 0.005 2 103 107 25 PHE HD1 H 6.930 0.005 1 104 107 25 PHE HD2 H 6.930 0.005 1 105 107 25 PHE HE1 H 7.137 0.005 1 106 107 25 PHE HE2 H 7.137 0.005 1 107 107 25 PHE CA C 56.352 0.050 1 108 107 25 PHE CB C 43.067 0.050 1 109 107 25 PHE CD1 C 132.226 0.050 1 110 107 25 PHE CD2 C 132.226 0.050 1 111 107 25 PHE CE1 C 132.270 0.050 1 112 107 25 PHE CE2 C 132.270 0.050 1 113 107 25 PHE N N 116.742 0.050 1 114 108 26 SER H H 8.248 0.005 1 115 108 26 SER HA H 4.097 0.005 1 116 108 26 SER HB2 H 3.931 0.005 1 117 108 26 SER HB3 H 3.931 0.005 1 118 108 26 SER CA C 58.922 0.050 1 119 108 26 SER CB C 64.622 0.050 1 120 108 26 SER N N 114.875 0.050 1 121 109 27 TYR H H 8.594 0.005 1 122 109 27 TYR HA H 4.663 0.005 1 123 109 27 TYR HB2 H 2.873 0.005 2 124 109 27 TYR HB3 H 2.493 0.005 2 125 109 27 TYR HD1 H 7.042 0.005 1 126 109 27 TYR HD2 H 7.042 0.005 1 127 109 27 TYR HE1 H 6.862 0.005 1 128 109 27 TYR HE2 H 6.862 0.005 1 129 109 27 TYR CA C 58.887 0.050 1 130 109 27 TYR CB C 43.060 0.050 1 131 109 27 TYR CD1 C 133.034 0.050 1 132 109 27 TYR CD2 C 133.034 0.050 1 133 109 27 TYR CE1 C 117.790 0.050 1 134 109 27 TYR CE2 C 117.790 0.050 1 135 109 27 TYR N N 121.291 0.050 1 136 110 28 LEU H H 7.493 0.005 1 137 110 28 LEU HA H 4.701 0.005 1 138 110 28 LEU HB2 H 1.326 0.005 1 139 110 28 LEU HB3 H 1.326 0.005 1 140 110 28 LEU HG H 1.461 0.005 1 141 110 28 LEU HD1 H 0.793 0.005 1 142 110 28 LEU CA C 50.850 0.050 1 143 110 28 LEU CB C 42.122 0.050 1 144 110 28 LEU CG C 26.374 0.050 1 145 110 28 LEU CD1 C 25.060 0.050 1 146 110 28 LEU CD2 C 25.060 0.050 1 147 110 28 LEU N N 129.456 0.050 1 148 111 29 PRO HA H 4.385 0.005 1 149 111 29 PRO HB2 H 2.220 0.005 2 150 111 29 PRO HB3 H 2.013 0.005 2 151 111 29 PRO HD2 H 3.607 0.005 1 152 111 29 PRO HD3 H 3.607 0.005 1 153 111 29 PRO CA C 62.847 0.050 1 154 111 29 PRO CB C 34.006 0.050 1 155 111 29 PRO CD C 50.518 0.050 1 156 112 30 GLN H H 9.015 0.005 1 157 112 30 GLN HA H 4.212 0.005 1 158 112 30 GLN HB2 H 2.207 0.005 2 159 112 30 GLN HB3 H 1.998 0.005 2 160 112 30 GLN HG2 H 2.516 0.005 2 161 112 30 GLN HG3 H 2.331 0.005 2 162 112 30 GLN HE21 H 7.571 0.005 1 163 112 30 GLN HE22 H 6.770 0.005 1 164 112 30 GLN CA C 55.604 0.050 1 165 112 30 GLN CB C 30.692 0.050 1 166 112 30 GLN CG C 34.410 0.050 1 167 112 30 GLN N N 119.637 0.050 1 168 112 30 GLN NE2 N 113.709 0.050 1 169 113 31 ASN H H 7.385 0.005 1 170 113 31 ASN HA H 4.688 0.005 1 171 113 31 ASN HB2 H 2.821 0.005 2 172 113 31 ASN HB3 H 2.680 0.005 2 173 113 31 ASN HD21 H 7.437 0.005 1 174 113 31 ASN HD22 H 6.586 0.005 1 175 113 31 ASN CA C 52.470 0.050 1 176 113 31 ASN CB C 41.815 0.050 1 177 113 31 ASN N N 113.109 0.050 1 178 113 31 ASN ND2 N 114.874 0.050 1 179 114 32 ASP H H 8.566 0.005 1 180 114 32 ASP HA H 4.505 0.005 1 181 114 32 ASP HB2 H 2.719 0.005 2 182 114 32 ASP HB3 H 2.618 0.005 2 183 114 32 ASP CA C 56.754 0.050 1 184 114 32 ASP CB C 41.179 0.050 1 185 114 32 ASP N N 118.124 0.050 1 186 115 33 ASP H H 8.473 0.005 1 187 115 33 ASP HA H 4.725 0.005 1 188 115 33 ASP HB2 H 2.803 0.005 2 189 115 33 ASP HB3 H 2.673 0.005 2 190 115 33 ASP CA C 54.579 0.050 1 191 115 33 ASP CB C 40.847 0.050 1 192 115 33 ASP N N 117.363 0.050 1 193 116 34 GLU H H 7.395 0.005 1 194 116 34 GLU HA H 5.175 0.005 1 195 116 34 GLU HB2 H 2.469 0.005 2 196 116 34 GLU HB3 H 2.202 0.005 2 197 116 34 GLU CA C 54.944 0.050 1 198 116 34 GLU CB C 33.211 0.050 1 199 116 34 GLU N N 119.038 0.050 1 200 117 35 LEU H H 8.422 0.005 1 201 117 35 LEU HA H 4.380 0.005 1 202 117 35 LEU HB2 H 1.424 0.005 2 203 117 35 LEU HB3 H 1.277 0.005 2 204 117 35 LEU HG H 1.456 0.005 1 205 117 35 LEU HD1 H 0.683 0.005 1 206 117 35 LEU CA C 54.143 0.050 1 207 117 35 LEU CB C 45.138 0.050 1 208 117 35 LEU CG C 27.134 0.050 1 209 117 35 LEU CD1 C 25.464 0.050 1 210 117 35 LEU CD2 C 25.464 0.050 1 211 117 35 LEU N N 120.746 0.050 1 212 118 36 GLU H H 7.868 0.005 1 213 118 36 GLU HA H 4.565 0.005 1 214 118 36 GLU HB2 H 1.935 0.005 2 215 118 36 GLU HB3 H 1.786 0.005 2 216 118 36 GLU HG2 H 2.482 0.005 2 217 118 36 GLU HG3 H 1.961 0.005 2 218 118 36 GLU CA C 55.891 0.050 1 219 118 36 GLU CB C 30.243 0.050 1 220 118 36 GLU CG C 36.488 0.050 1 221 118 36 GLU N N 118.556 0.050 1 222 119 37 LEU H H 8.851 0.005 1 223 119 37 LEU HA H 4.672 0.005 1 224 119 37 LEU HB2 H 2.001 0.005 2 225 119 37 LEU HB3 H 1.631 0.005 2 226 119 37 LEU HG H 1.841 0.005 1 227 119 37 LEU HD1 H 0.755 0.005 2 228 119 37 LEU HD2 H 0.467 0.005 2 229 119 37 LEU CA C 53.805 0.050 1 230 119 37 LEU CB C 43.356 0.050 1 231 119 37 LEU CG C 26.686 0.050 1 232 119 37 LEU CD1 C 25.430 0.050 2 233 119 37 LEU CD2 C 23.487 0.050 2 234 119 37 LEU N N 126.352 0.050 1 235 120 38 LYS H H 9.057 0.005 1 236 120 38 LYS HA H 4.566 0.005 1 237 120 38 LYS HB2 H 1.771 0.005 2 238 120 38 LYS HB3 H 1.613 0.005 2 239 120 38 LYS HE2 H 2.883 0.005 1 240 120 38 LYS HE3 H 2.883 0.005 1 241 120 38 LYS CA C 54.667 0.050 1 242 120 38 LYS CB C 33.957 0.050 1 243 120 38 LYS CE C 42.053 0.050 1 244 120 38 LYS N N 126.001 0.050 1 245 121 39 VAL H H 8.050 0.005 1 246 121 39 VAL HA H 2.892 0.005 1 247 121 39 VAL HB H 1.720 0.005 1 248 121 39 VAL HG1 H 0.793 0.005 2 249 121 39 VAL HG2 H 0.708 0.005 2 250 121 39 VAL CA C 66.045 0.050 1 251 121 39 VAL CB C 31.488 0.050 1 252 121 39 VAL CG1 C 22.561 0.050 2 253 121 39 VAL CG2 C 20.915 0.050 2 254 121 39 VAL N N 121.976 0.050 1 255 122 40 GLY H H 8.437 0.005 1 256 122 40 GLY HA2 H 4.445 0.005 1 257 122 40 GLY HA3 H 3.427 0.005 1 258 122 40 GLY CA C 44.870 0.050 1 259 122 40 GLY N N 115.454 0.050 1 260 123 41 ASP H H 8.135 0.005 1 261 123 41 ASP HA H 4.408 0.005 1 262 123 41 ASP HB2 H 2.752 0.005 2 263 123 41 ASP HB3 H 2.342 0.005 2 264 123 41 ASP CA C 55.971 0.050 1 265 123 41 ASP CB C 42.150 0.050 1 266 123 41 ASP N N 122.699 0.050 1 267 124 42 ILE H H 8.317 0.005 1 268 124 42 ILE HA H 4.835 0.005 1 269 124 42 ILE HB H 1.783 0.005 1 270 124 42 ILE HG12 H 1.566 0.005 2 271 124 42 ILE HG13 H 1.108 0.005 2 272 124 42 ILE HG2 H 0.755 0.005 1 273 124 42 ILE HD1 H 0.730 0.005 1 274 124 42 ILE CA C 59.797 0.050 1 275 124 42 ILE CB C 38.348 0.050 1 276 124 42 ILE CG1 C 27.475 0.050 1 277 124 42 ILE CG2 C 17.266 0.050 1 278 124 42 ILE CD1 C 11.760 0.050 1 279 124 42 ILE N N 120.687 0.050 1 280 125 43 ILE H H 8.672 0.005 1 281 125 43 ILE HA H 4.293 0.005 1 282 125 43 ILE HB H 1.280 0.005 1 283 125 43 ILE HG12 H 1.088 0.005 2 284 125 43 ILE HG13 H 0.494 0.005 2 285 125 43 ILE HG2 H 0.408 0.005 1 286 125 43 ILE HD1 H -0.175 0.005 1 287 125 43 ILE CA C 59.597 0.050 1 288 125 43 ILE CB C 42.195 0.050 1 289 125 43 ILE CG1 C 27.988 0.050 1 290 125 43 ILE CG2 C 17.398 0.050 1 291 125 43 ILE CD1 C 14.061 0.050 1 292 125 43 ILE N N 126.377 0.050 1 293 126 44 GLU H H 7.973 0.005 1 294 126 44 GLU HA H 4.786 0.005 1 295 126 44 GLU HB2 H 1.954 0.005 1 296 126 44 GLU HB3 H 1.954 0.005 1 297 126 44 GLU HG2 H 2.196 0.005 2 298 126 44 GLU HG3 H 1.957 0.005 2 299 126 44 GLU CA C 55.458 0.050 1 300 126 44 GLU CB C 31.101 0.050 1 301 126 44 GLU CG C 36.780 0.050 1 302 126 44 GLU N N 125.448 0.050 1 303 127 45 VAL H H 8.994 0.005 1 304 127 45 VAL HA H 4.147 0.005 1 305 127 45 VAL HB H 1.923 0.005 1 306 127 45 VAL HG1 H 1.129 0.005 2 307 127 45 VAL HG2 H 0.755 0.005 2 308 127 45 VAL CA C 64.711 0.050 1 309 127 45 VAL CB C 33.144 0.050 1 310 127 45 VAL CG1 C 23.608 0.050 2 311 127 45 VAL CG2 C 21.645 0.050 2 312 127 45 VAL N N 127.322 0.050 1 313 128 46 VAL H H 9.149 0.005 1 314 128 46 VAL HA H 4.185 0.005 1 315 128 46 VAL HB H 1.896 0.005 1 316 128 46 VAL HG1 H 0.836 0.005 2 317 128 46 VAL HG2 H 0.775 0.005 2 318 128 46 VAL CA C 63.215 0.050 1 319 128 46 VAL CB C 33.250 0.050 1 320 128 46 VAL CG1 C 21.245 0.050 2 321 128 46 VAL CG2 C 21.076 0.050 2 322 128 46 VAL N N 125.267 0.050 1 323 129 47 GLY H H 7.467 0.005 1 324 129 47 GLY HA2 H 4.023 0.005 1 325 129 47 GLY HA3 H 3.742 0.005 1 326 129 47 GLY CA C 45.635 0.050 1 327 129 47 GLY N N 105.963 0.050 1 328 130 48 GLU H H 8.345 0.005 1 329 130 48 GLU HA H 4.292 0.005 1 330 130 48 GLU HB2 H 1.724 0.005 2 331 130 48 GLU HB3 H 1.517 0.005 2 332 130 48 GLU CA C 56.257 0.050 1 333 130 48 GLU CB C 30.206 0.050 1 334 130 48 GLU N N 121.051 0.050 1 335 131 49 VAL H H 8.342 0.005 1 336 131 49 VAL HA H 3.990 0.005 1 337 131 49 VAL HB H 1.899 0.005 1 338 131 49 VAL HG1 H 0.846 0.005 1 339 131 49 VAL CA C 64.733 0.050 1 340 131 49 VAL CB C 33.560 0.050 1 341 131 49 VAL CG1 C 21.009 0.050 1 342 131 49 VAL N N 124.181 0.050 1 343 132 50 GLU H H 8.239 0.005 1 344 132 50 GLU HA H 4.567 0.005 1 345 132 50 GLU HB2 H 2.234 0.005 2 346 132 50 GLU HB3 H 2.008 0.005 2 347 132 50 GLU HG2 H 2.157 0.005 1 348 132 50 GLU HG3 H 2.157 0.005 1 349 132 50 GLU CA C 54.985 0.050 1 350 132 50 GLU CB C 32.747 0.050 1 351 132 50 GLU CG C 36.113 0.050 1 352 132 50 GLU N N 116.275 0.050 1 353 133 51 GLU H H 8.904 0.005 1 354 133 51 GLU HA H 4.064 0.005 1 355 133 51 GLU HB2 H 2.002 0.005 2 356 133 51 GLU HB3 H 1.960 0.005 2 357 133 51 GLU HG2 H 2.190 0.005 1 358 133 51 GLU HG3 H 2.190 0.005 1 359 133 51 GLU CA C 59.588 0.050 1 360 133 51 GLU CB C 29.348 0.050 1 361 133 51 GLU CG C 36.258 0.050 1 362 133 51 GLU N N 122.008 0.050 1 363 134 52 GLY H H 8.777 0.005 1 364 134 52 GLY HA2 H 3.952 0.005 1 365 134 52 GLY HA3 H 3.547 0.005 1 366 134 52 GLY CA C 45.587 0.050 1 367 134 52 GLY N N 112.357 0.050 1 368 135 53 TRP H H 8.359 0.005 1 369 135 53 TRP HA H 4.789 0.005 1 370 135 53 TRP HB2 H 2.838 0.005 2 371 135 53 TRP HB3 H 2.667 0.005 2 372 135 53 TRP HD1 H 7.045 0.005 1 373 135 53 TRP HE1 H 9.863 0.005 1 374 135 53 TRP HE3 H 6.492 0.005 1 375 135 53 TRP HZ2 H 7.285 0.005 1 376 135 53 TRP CA C 57.521 0.050 1 377 135 53 TRP CB C 32.472 0.050 1 378 135 53 TRP CD1 C 126.702 0.050 1 379 135 53 TRP CE3 C 119.687 0.050 1 380 135 53 TRP CZ2 C 114.457 0.050 1 381 135 53 TRP N N 121.700 0.050 1 382 135 53 TRP NE1 N 129.149 0.050 1 383 136 54 TRP H H 8.467 0.005 1 384 136 54 TRP HA H 5.216 0.005 1 385 136 54 TRP HB2 H 2.893 0.005 2 386 136 54 TRP HB3 H 1.957 0.005 2 387 136 54 TRP HD1 H 7.077 0.005 1 388 136 54 TRP HE1 H 10.051 0.005 1 389 136 54 TRP HE3 H 6.991 0.005 1 390 136 54 TRP HZ2 H 7.392 0.005 1 391 136 54 TRP HZ3 H 7.144 0.005 1 392 136 54 TRP CA C 53.357 0.050 1 393 136 54 TRP CB C 33.726 0.050 1 394 136 54 TRP CD1 C 123.264 0.050 1 395 136 54 TRP CE3 C 121.536 0.050 1 396 136 54 TRP CZ2 C 114.711 0.050 1 397 136 54 TRP CZ3 C 124.916 0.050 1 398 136 54 TRP N N 125.499 0.050 1 399 136 54 TRP NE1 N 128.469 0.050 1 400 137 55 GLU H H 8.754 0.005 1 401 137 55 GLU HA H 5.185 0.005 1 402 137 55 GLU HB2 H 1.749 0.005 1 403 137 55 GLU HB3 H 1.749 0.005 1 404 137 55 GLU HG2 H 2.434 0.005 2 405 137 55 GLU HG3 H 1.907 0.005 2 406 137 55 GLU CA C 54.836 0.050 1 407 137 55 GLU CB C 32.668 0.050 1 408 137 55 GLU CG C 36.761 0.050 1 409 137 55 GLU N N 119.670 0.050 1 410 138 56 GLY H H 9.525 0.005 1 411 138 56 GLY HA2 H 5.236 0.005 1 412 138 56 GLY HA3 H 3.860 0.005 1 413 138 56 GLY CA C 46.087 0.050 1 414 138 56 GLY N N 113.533 0.050 1 415 139 57 VAL H H 8.915 0.005 1 416 139 57 VAL HA H 5.046 0.005 1 417 139 57 VAL HB H 1.865 0.005 1 418 139 57 VAL HG1 H 0.828 0.005 2 419 139 57 VAL HG2 H 0.729 0.005 2 420 139 57 VAL CA C 61.138 0.050 1 421 139 57 VAL CB C 34.392 0.050 1 422 139 57 VAL CG1 C 20.543 0.050 2 423 139 57 VAL CG2 C 21.130 0.050 2 424 139 57 VAL N N 118.196 0.050 1 425 140 58 LEU H H 9.120 0.005 1 426 140 58 LEU HA H 4.683 0.005 1 427 140 58 LEU HB2 H 1.765 0.005 2 428 140 58 LEU HB3 H 1.173 0.005 2 429 140 58 LEU HG H 1.438 0.005 1 430 140 58 LEU HD1 H 0.829 0.005 1 431 140 58 LEU CA C 54.415 0.050 1 432 140 58 LEU CB C 46.828 0.050 1 433 140 58 LEU CG C 27.918 0.050 1 434 140 58 LEU CD1 C 23.777 0.050 1 435 140 58 LEU CD2 C 23.777 0.050 1 436 140 58 LEU N N 130.030 0.050 1 437 141 59 ASN H H 9.728 0.005 1 438 141 59 ASN HA H 4.357 0.005 1 439 141 59 ASN HB2 H 2.992 0.005 2 440 141 59 ASN HB3 H 2.726 0.005 2 441 141 59 ASN HD21 H 7.693 0.005 1 442 141 59 ASN HD22 H 7.072 0.005 1 443 141 59 ASN CA C 54.642 0.050 1 444 141 59 ASN CB C 37.740 0.050 1 445 141 59 ASN N N 128.141 0.050 1 446 141 59 ASN ND2 N 114.316 0.050 1 447 142 60 GLY H H 8.464 0.005 1 448 142 60 GLY HA2 H 4.114 0.005 1 449 142 60 GLY HA3 H 3.492 0.005 1 450 142 60 GLY CA C 45.747 0.050 1 451 142 60 GLY N N 102.995 0.050 1 452 143 61 LYS H H 7.823 0.005 1 453 143 61 LYS HA H 4.616 0.005 1 454 143 61 LYS HB2 H 1.856 0.005 2 455 143 61 LYS HB3 H 1.725 0.005 2 456 143 61 LYS HG2 H 1.417 0.005 2 457 143 61 LYS HG3 H 1.253 0.005 2 458 143 61 LYS HE2 H 2.979 0.005 1 459 143 61 LYS HE3 H 2.979 0.005 1 460 143 61 LYS CA C 55.334 0.050 1 461 143 61 LYS CB C 35.175 0.050 1 462 143 61 LYS CG C 25.322 0.050 1 463 143 61 LYS CE C 42.435 0.050 1 464 143 61 LYS N N 123.349 0.050 1 465 144 62 THR H H 8.427 0.005 1 466 144 62 THR HA H 5.458 0.005 1 467 144 62 THR HB H 3.965 0.005 1 468 144 62 THR HG2 H 1.097 0.005 1 469 144 62 THR CA C 61.309 0.050 1 470 144 62 THR CB C 70.247 0.050 1 471 144 62 THR CG2 C 21.380 0.050 1 472 144 62 THR N N 119.752 0.050 1 473 145 63 GLY H H 8.974 0.005 1 474 145 63 GLY HA2 H 4.435 0.005 1 475 145 63 GLY HA3 H 3.835 0.005 1 476 145 63 GLY CA C 46.075 0.050 1 477 145 63 GLY N N 112.606 0.050 1 478 146 64 MET H H 8.806 0.005 1 479 146 64 MET HA H 5.873 0.005 1 480 146 64 MET HB2 H 2.050 0.005 2 481 146 64 MET HB3 H 1.972 0.005 2 482 146 64 MET HG2 H 2.554 0.005 2 483 146 64 MET HG3 H 2.460 0.005 2 484 146 64 MET CA C 54.450 0.050 1 485 146 64 MET CB C 35.911 0.050 1 486 146 64 MET CG C 32.250 0.050 1 487 146 64 MET N N 117.502 0.050 1 488 147 65 PHE H H 9.117 0.005 1 489 147 65 PHE HA H 5.041 0.005 1 490 147 65 PHE HB2 H 2.987 0.005 2 491 147 65 PHE HB3 H 2.648 0.005 2 492 147 65 PHE HD1 H 6.830 0.005 1 493 147 65 PHE HD2 H 6.830 0.005 1 494 147 65 PHE HE1 H 7.240 0.005 1 495 147 65 PHE HE2 H 7.240 0.005 1 496 147 65 PHE CA C 55.486 0.050 1 497 147 65 PHE CB C 39.935 0.050 1 498 147 65 PHE CD1 C 133.534 0.050 1 499 147 65 PHE CD2 C 133.534 0.050 1 500 147 65 PHE CE1 C 129.975 0.050 1 501 147 65 PHE CE2 C 129.975 0.050 1 502 147 65 PHE N N 116.370 0.050 1 503 148 66 PRO HA H 3.696 0.005 1 504 148 66 PRO HB2 H 1.186 0.005 2 505 148 66 PRO HB3 H 0.645 0.005 2 506 148 66 PRO HG2 H 0.645 0.005 2 507 148 66 PRO HG3 H 0.045 0.005 2 508 148 66 PRO CA C 60.710 0.050 1 509 148 66 PRO CB C 30.459 0.050 1 510 148 66 PRO CG C 26.926 0.050 1 511 149 67 SER H H 7.519 0.005 1 512 149 67 SER HA H 2.986 0.005 1 513 149 67 SER HB2 H 2.187 0.005 2 514 149 67 SER HB3 H 1.595 0.005 2 515 149 67 SER CA C 60.586 0.050 1 516 149 67 SER CB C 61.464 0.050 1 517 149 67 SER N N 120.295 0.050 1 518 150 68 ASN H H 8.358 0.005 1 519 150 68 ASN HA H 4.515 0.005 1 520 150 68 ASN HB2 H 2.640 0.005 2 521 150 68 ASN HB3 H 2.560 0.005 2 522 150 68 ASN HD21 H 7.336 0.005 1 523 150 68 ASN HD22 H 6.597 0.005 1 524 150 68 ASN CA C 54.179 0.050 1 525 150 68 ASN CB C 36.542 0.050 1 526 150 68 ASN N N 116.314 0.050 1 527 150 68 ASN ND2 N 112.803 0.050 1 528 151 69 PHE H H 7.537 0.005 1 529 151 69 PHE HA H 4.706 0.005 1 530 151 69 PHE HB2 H 3.741 0.005 2 531 151 69 PHE HB3 H 2.913 0.005 2 532 151 69 PHE HD1 H 7.035 0.005 1 533 151 69 PHE HD2 H 7.035 0.005 1 534 151 69 PHE HE1 H 7.278 0.005 1 535 151 69 PHE HE2 H 7.278 0.005 1 536 151 69 PHE CA C 58.250 0.050 1 537 151 69 PHE CB C 38.144 0.050 1 538 151 69 PHE CD1 C 131.227 0.050 1 539 151 69 PHE CD2 C 131.227 0.050 1 540 151 69 PHE CE1 C 131.293 0.050 1 541 151 69 PHE CE2 C 131.293 0.050 1 542 151 69 PHE N N 119.138 0.050 1 543 152 70 ILE H H 7.118 0.005 1 544 152 70 ILE HA H 5.046 0.005 1 545 152 70 ILE HB H 1.817 0.005 1 546 152 70 ILE HG12 H 1.427 0.005 2 547 152 70 ILE HG13 H 1.277 0.005 2 548 152 70 ILE HG2 H 0.662 0.005 1 549 152 70 ILE HD1 H 0.686 0.005 1 550 152 70 ILE CA C 58.143 0.050 1 551 152 70 ILE CB C 42.404 0.050 1 552 152 70 ILE CG1 C 27.320 0.050 1 553 152 70 ILE CG2 C 21.684 0.050 1 554 152 70 ILE CD1 C 14.426 0.050 1 555 152 70 ILE N N 110.920 0.050 1 556 153 71 LYS H H 9.064 0.005 1 557 153 71 LYS HA H 4.584 0.005 1 558 153 71 LYS HB2 H 1.704 0.005 1 559 153 71 LYS HB3 H 1.704 0.005 1 560 153 71 LYS HG2 H 1.258 0.005 1 561 153 71 LYS HG3 H 1.258 0.005 1 562 153 71 LYS HD2 H 1.551 0.005 1 563 153 71 LYS HD3 H 1.551 0.005 1 564 153 71 LYS HE2 H 2.799 0.005 1 565 153 71 LYS HE3 H 2.799 0.005 1 566 153 71 LYS CA C 55.304 0.050 1 567 153 71 LYS CB C 35.740 0.050 1 568 153 71 LYS CG C 24.590 0.050 1 569 153 71 LYS CD C 29.313 0.050 1 570 153 71 LYS CE C 42.052 0.050 1 571 153 71 LYS N N 120.617 0.050 1 572 154 72 GLU H H 8.913 0.005 1 573 154 72 GLU HA H 4.346 0.005 1 574 154 72 GLU HB2 H 2.104 0.005 2 575 154 72 GLU HB3 H 1.932 0.005 2 576 154 72 GLU HG2 H 2.361 0.005 2 577 154 72 GLU HG3 H 2.323 0.005 2 578 154 72 GLU CA C 57.604 0.050 1 579 154 72 GLU CB C 30.232 0.050 1 580 154 72 GLU CG C 36.763 0.050 1 581 154 72 GLU N N 123.384 0.050 1 582 155 73 LEU H H 8.536 0.005 1 583 155 73 LEU HA H 4.466 0.005 1 584 155 73 LEU HB2 H 1.513 0.005 1 585 155 73 LEU HB3 H 1.513 0.005 1 586 155 73 LEU HG H 1.483 0.005 1 587 155 73 LEU HD1 H 0.745 0.005 1 588 155 73 LEU CA C 54.785 0.050 1 589 155 73 LEU CB C 42.861 0.050 1 590 155 73 LEU CG C 27.164 0.050 1 591 155 73 LEU CD1 C 23.397 0.050 1 592 155 73 LEU CD2 C 23.397 0.050 1 593 155 73 LEU N N 123.741 0.050 1 594 156 74 SER H H 8.450 0.005 1 595 156 74 SER HA H 4.447 0.005 1 596 156 74 SER HB2 H 3.852 0.005 1 597 156 74 SER HB3 H 3.852 0.005 1 598 156 74 SER CA C 58.758 0.050 1 599 156 74 SER CB C 64.310 0.050 1 600 156 74 SER N N 117.447 0.050 1 601 157 75 GLY H H 8.524 0.005 1 602 157 75 GLY HA2 H 3.820 0.005 1 603 157 75 GLY HA3 H 3.820 0.005 1 604 157 75 GLY CA C 45.691 0.050 1 605 157 75 GLY N N 111.138 0.050 1 606 158 76 GLU H H 8.190 0.005 1 607 158 76 GLU HA H 4.257 0.005 1 608 158 76 GLU HB2 H 2.050 0.005 2 609 158 76 GLU HB3 H 1.884 0.005 2 610 158 76 GLU HG2 H 2.190 0.005 2 611 158 76 GLU HG3 H 2.167 0.005 2 612 158 76 GLU CA C 56.924 0.050 1 613 158 76 GLU CB C 30.560 0.050 1 614 158 76 GLU CG C 36.580 0.050 1 615 158 76 GLU N N 120.666 0.050 1 616 159 77 SER H H 8.301 0.005 1 617 159 77 SER HA H 4.395 0.005 1 618 159 77 SER HB2 H 3.818 0.005 1 619 159 77 SER HB3 H 3.818 0.005 1 620 159 77 SER CA C 58.792 0.050 1 621 159 77 SER CB C 64.310 0.050 1 622 159 77 SER N N 115.846 0.050 1 623 160 78 ASP H H 8.296 0.005 1 624 160 78 ASP HA H 4.564 0.005 1 625 160 78 ASP HB2 H 2.615 0.005 1 626 160 78 ASP HB3 H 2.615 0.005 1 627 160 78 ASP CA C 54.810 0.050 1 628 160 78 ASP CB C 41.497 0.050 1 629 160 78 ASP N N 122.367 0.050 1 630 161 79 GLU H H 8.320 0.005 1 631 161 79 GLU HA H 4.173 0.005 1 632 161 79 GLU HB2 H 2.002 0.005 2 633 161 79 GLU HB3 H 1.879 0.005 2 634 161 79 GLU HG2 H 2.169 0.005 1 635 161 79 GLU HG3 H 2.169 0.005 1 636 161 79 GLU CA C 57.353 0.050 1 637 161 79 GLU CB C 30.560 0.050 1 638 161 79 GLU CG C 36.143 0.050 1 639 161 79 GLU N N 120.756 0.050 1 640 162 80 LEU H H 8.151 0.005 1 641 162 80 LEU HA H 4.227 0.005 1 642 162 80 LEU HB2 H 1.608 0.005 2 643 162 80 LEU HB3 H 1.511 0.005 2 644 162 80 LEU HD1 H 0.774 0.005 1 645 162 80 LEU CA C 55.856 0.050 1 646 162 80 LEU CB C 42.435 0.050 1 647 162 80 LEU CD1 C 23.832 0.050 1 648 162 80 LEU CD2 C 23.832 0.050 1 649 162 80 LEU N N 121.556 0.050 1 650 163 81 GLY H H 8.231 0.005 1 651 163 81 GLY HA2 H 3.832 0.005 1 652 163 81 GLY HA3 H 3.832 0.005 1 653 163 81 GLY CA C 45.930 0.050 1 654 163 81 GLY N N 108.934 0.050 1 655 164 82 ILE H H 7.844 0.005 1 656 164 82 ILE HA H 4.028 0.005 1 657 164 82 ILE HB H 1.781 0.005 1 658 164 82 ILE HG12 H 1.348 0.005 2 659 164 82 ILE HG13 H 1.072 0.005 2 660 164 82 ILE HG2 H 0.778 0.005 1 661 164 82 ILE HD1 H 0.739 0.005 1 662 164 82 ILE CA C 61.855 0.050 1 663 164 82 ILE CB C 38.997 0.050 1 664 164 82 ILE CG1 C 27.314 0.050 1 665 164 82 ILE CG2 C 17.597 0.050 1 666 164 82 ILE CD1 C 13.075 0.050 1 667 164 82 ILE N N 119.588 0.050 1 stop_ save_