data_36077 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure for human HSP70 substrate binding domain ; _BMRB_accession_number 36077 _BMRB_flat_file_name bmr36077.str _Entry_type original _Submission_date 2017-04-26 _Accession_date 2017-07-06 _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 Hoshikawa M. . . 2 Tochio N. . . 3 Tate S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 928 "13C chemical shifts" 781 "15N chemical shifts" 197 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-05-14 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 36078 'Solution structure for human HSP70 substrate binding domain L542Y mutant' stop_ _Original_release_date 2017-07-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Substrate Binding Switches the Conformation at the Lynchpin Site in the Substrate-Binding Domain of Human Hsp70 to Enable Allosteric Interdomain Communication ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29495458 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Umehara Kohei . . 2 Hoshikawa Miho . . 3 Tochio Naoya . . 4 Tate Shin-Ichi I. . stop_ _Journal_abbreviation Molecules _Journal_name_full 'Molecules (Basel, Switzerland)' _Journal_volume 23 _Journal_issue 3 _Journal_ISSN 1420-3049 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E528 _Page_last E528 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Heat shock 70 kDa protein 1A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Heat shock 70 kDa protein 1A' _Molecular_mass 20323.885 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; HMGDKSENVQDLLLLDVAPL SLGLETAGGVMTALIKRNST IPTKQTQIFTTYSDNQPGVL IQVYEGERAMTKDNNLLGRF ELSGIPPAPRGVPQIEVTFD IDANGILNVTATDKSTGKAN KITITNDKGRLSKEEIERMV QEAEKYKAEDEVQRERVSAK NALESYAFNMKSAVEDEGLK GKISE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 HIS 2 2 MET 3 3 GLY 4 4 ASP 5 5 LYS 6 6 SER 7 7 GLU 8 8 ASN 9 9 VAL 10 10 GLN 11 11 ASP 12 12 LEU 13 13 LEU 14 14 LEU 15 15 LEU 16 16 ASP 17 17 VAL 18 18 ALA 19 19 PRO 20 20 LEU 21 21 SER 22 22 LEU 23 23 GLY 24 24 LEU 25 25 GLU 26 26 THR 27 27 ALA 28 28 GLY 29 29 GLY 30 30 VAL 31 31 MET 32 32 THR 33 33 ALA 34 34 LEU 35 35 ILE 36 36 LYS 37 37 ARG 38 38 ASN 39 39 SER 40 40 THR 41 41 ILE 42 42 PRO 43 43 THR 44 44 LYS 45 45 GLN 46 46 THR 47 47 GLN 48 48 ILE 49 49 PHE 50 50 THR 51 51 THR 52 52 TYR 53 53 SER 54 54 ASP 55 55 ASN 56 56 GLN 57 57 PRO 58 58 GLY 59 59 VAL 60 60 LEU 61 61 ILE 62 62 GLN 63 63 VAL 64 64 TYR 65 65 GLU 66 66 GLY 67 67 GLU 68 68 ARG 69 69 ALA 70 70 MET 71 71 THR 72 72 LYS 73 73 ASP 74 74 ASN 75 75 ASN 76 76 LEU 77 77 LEU 78 78 GLY 79 79 ARG 80 80 PHE 81 81 GLU 82 82 LEU 83 83 SER 84 84 GLY 85 85 ILE 86 86 PRO 87 87 PRO 88 88 ALA 89 89 PRO 90 90 ARG 91 91 GLY 92 92 VAL 93 93 PRO 94 94 GLN 95 95 ILE 96 96 GLU 97 97 VAL 98 98 THR 99 99 PHE 100 100 ASP 101 101 ILE 102 102 ASP 103 103 ALA 104 104 ASN 105 105 GLY 106 106 ILE 107 107 LEU 108 108 ASN 109 109 VAL 110 110 THR 111 111 ALA 112 112 THR 113 113 ASP 114 114 LYS 115 115 SER 116 116 THR 117 117 GLY 118 118 LYS 119 119 ALA 120 120 ASN 121 121 LYS 122 122 ILE 123 123 THR 124 124 ILE 125 125 THR 126 126 ASN 127 127 ASP 128 128 LYS 129 129 GLY 130 130 ARG 131 131 LEU 132 132 SER 133 133 LYS 134 134 GLU 135 135 GLU 136 136 ILE 137 137 GLU 138 138 ARG 139 139 MET 140 140 VAL 141 141 GLN 142 142 GLU 143 143 ALA 144 144 GLU 145 145 LYS 146 146 TYR 147 147 LYS 148 148 ALA 149 149 GLU 150 150 ASP 151 151 GLU 152 152 VAL 153 153 GLN 154 154 ARG 155 155 GLU 156 156 ARG 157 157 VAL 158 158 SER 159 159 ALA 160 160 LYS 161 161 ASN 162 162 ALA 163 163 LEU 164 164 GLU 165 165 SER 166 166 TYR 167 167 ALA 168 168 PHE 169 169 ASN 170 170 MET 171 171 LYS 172 172 SER 173 173 ALA 174 174 VAL 175 175 GLU 176 176 ASP 177 177 GLU 178 178 GLY 179 179 LEU 180 180 LYS 181 181 GLY 182 182 LYS 183 183 ILE 184 184 SER 185 185 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'HSPA1A, HSP72, HSPA1, HSX70' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '50 mM potassium phosphate, 50 mM potassium chloride, 10 mM DTT, 94% H2O/6% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM . DTT 10 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_5 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_6 _Saveframe_category software _Name magro _Version . loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _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 water C 13 protons ppm 4.789 internal indirect . . . 0.251449530 water H 1 protons ppm 4.789 internal direct . . . 1.0 water N 15 protons ppm 4.789 internal indirect . . . 0.101329118 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_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 2 MET HA H 4.461 0.030 1 2 2 2 MET HB2 H 2.094 0.030 2 3 2 2 MET HB3 H 2.000 0.030 2 4 2 2 MET C C 176.576 0.300 1 5 2 2 MET CA C 56.087 0.300 1 6 2 2 MET CB C 32.616 0.300 1 7 3 3 GLY H H 8.767 0.030 1 8 3 3 GLY HA2 H 4.015 0.030 2 9 3 3 GLY HA3 H 3.949 0.030 2 10 3 3 GLY C C 174.005 0.300 1 11 3 3 GLY CA C 45.344 0.300 1 12 3 3 GLY N N 111.227 0.300 1 13 4 4 ASP H H 8.202 0.030 1 14 4 4 ASP HA H 4.600 0.030 1 15 4 4 ASP HB2 H 2.695 0.030 2 16 4 4 ASP HB3 H 2.588 0.030 2 17 4 4 ASP C C 176.549 0.300 1 18 4 4 ASP CA C 54.484 0.300 1 19 4 4 ASP CB C 41.398 0.300 1 20 4 4 ASP N N 120.591 0.300 1 21 5 5 LYS H H 8.369 0.030 1 22 5 5 LYS HA H 4.358 0.030 1 23 5 5 LYS HB2 H 1.895 0.030 2 24 5 5 LYS HB3 H 1.787 0.030 2 25 5 5 LYS HG3 H 1.441 0.030 2 26 5 5 LYS HD3 H 1.680 0.030 2 27 5 5 LYS HE3 H 3.008 0.030 2 28 5 5 LYS C C 176.731 0.300 1 29 5 5 LYS CA C 56.231 0.300 1 30 5 5 LYS CB C 32.845 0.300 1 31 5 5 LYS CG C 24.823 0.300 1 32 5 5 LYS CD C 29.015 0.300 1 33 5 5 LYS CE C 42.167 0.300 1 34 5 5 LYS N N 121.638 0.300 1 35 6 6 SER H H 8.389 0.030 1 36 6 6 SER HA H 4.395 0.030 1 37 6 6 SER HB3 H 3.850 0.030 2 38 6 6 SER C C 174.634 0.300 1 39 6 6 SER CA C 58.720 0.300 1 40 6 6 SER CB C 63.967 0.300 1 41 6 6 SER N N 117.052 0.300 1 42 7 7 GLU H H 8.455 0.030 1 43 7 7 GLU HA H 4.298 0.030 1 44 7 7 GLU HB3 H 2.008 0.030 2 45 7 7 GLU HG3 H 2.249 0.030 2 46 7 7 GLU C C 176.121 0.300 1 47 7 7 GLU CA C 56.691 0.300 1 48 7 7 GLU CB C 30.404 0.300 1 49 7 7 GLU CG C 36.331 0.300 1 50 7 7 GLU N N 122.484 0.300 1 51 8 8 ASN H H 8.449 0.030 1 52 8 8 ASN HA H 4.732 0.030 1 53 8 8 ASN HB2 H 2.861 0.030 2 54 8 8 ASN HB3 H 2.726 0.030 2 55 8 8 ASN HD21 H 6.930 0.030 2 56 8 8 ASN HD22 H 7.609 0.030 2 57 8 8 ASN C C 175.257 0.300 1 58 8 8 ASN CA C 53.220 0.300 1 59 8 8 ASN CB C 38.949 0.300 1 60 8 8 ASN N N 119.767 0.300 1 61 8 8 ASN ND2 N 112.948 0.300 1 62 9 9 VAL H H 8.145 0.030 1 63 9 9 VAL HA H 4.093 0.030 1 64 9 9 VAL HB H 2.092 0.030 1 65 9 9 VAL HG1 H 0.938 0.030 2 66 9 9 VAL C C 176.315 0.300 1 67 9 9 VAL CA C 62.770 0.300 1 68 9 9 VAL CB C 32.523 0.300 1 69 9 9 VAL CG1 C 20.898 0.300 2 70 9 9 VAL N N 120.815 0.300 1 71 10 10 GLN H H 8.438 0.030 1 72 10 10 GLN HA H 4.282 0.030 1 73 10 10 GLN HB3 H 1.996 0.030 2 74 10 10 GLN HG3 H 2.357 0.030 2 75 10 10 GLN HE21 H 7.547 0.030 2 76 10 10 GLN HE22 H 6.867 0.030 2 77 10 10 GLN C C 175.753 0.300 1 78 10 10 GLN CA C 56.192 0.300 1 79 10 10 GLN CB C 29.665 0.300 1 80 10 10 GLN CG C 33.947 0.300 1 81 10 10 GLN N N 123.433 0.300 1 82 10 10 GLN NE2 N 112.523 0.300 1 83 11 11 ASP H H 8.279 0.030 1 84 11 11 ASP HA H 4.539 0.030 1 85 11 11 ASP HB2 H 2.720 0.030 2 86 11 11 ASP HB3 H 2.604 0.030 2 87 11 11 ASP C C 176.250 0.300 1 88 11 11 ASP CA C 54.544 0.300 1 89 11 11 ASP CB C 41.157 0.300 1 90 11 11 ASP N N 121.561 0.300 1 91 12 12 LEU H H 8.069 0.030 1 92 12 12 LEU HA H 4.262 0.030 1 93 12 12 LEU HB2 H 1.647 0.030 2 94 12 12 LEU HB3 H 1.583 0.030 2 95 12 12 LEU HG H 1.618 0.030 1 96 12 12 LEU HD1 H 0.920 0.030 2 97 12 12 LEU HD2 H 0.858 0.030 2 98 12 12 LEU C C 177.180 0.300 1 99 12 12 LEU CA C 55.487 0.300 1 100 12 12 LEU CB C 42.255 0.300 1 101 12 12 LEU CG C 27.113 0.300 1 102 12 12 LEU CD1 C 25.102 0.300 2 103 12 12 LEU CD2 C 23.427 0.300 2 104 12 12 LEU N N 122.249 0.300 1 105 13 13 LEU H H 8.165 0.030 1 106 13 13 LEU HA H 4.308 0.030 1 107 13 13 LEU HB3 H 1.610 0.030 2 108 13 13 LEU HD1 H 0.921 0.030 2 109 13 13 LEU HD2 H 0.855 0.030 2 110 13 13 LEU C C 176.774 0.300 1 111 13 13 LEU CA C 55.266 0.300 1 112 13 13 LEU CB C 42.194 0.300 1 113 13 13 LEU CG C 27.293 0.300 1 114 13 13 LEU CD1 C 25.098 0.300 2 115 13 13 LEU CD2 C 23.427 0.300 2 116 13 13 LEU N N 122.371 0.300 1 117 14 14 LEU H H 8.059 0.030 1 118 14 14 LEU HA H 4.395 0.030 1 119 14 14 LEU HB2 H 1.639 0.030 2 120 14 14 LEU HB3 H 1.573 0.030 2 121 14 14 LEU HD1 H 0.921 0.030 2 122 14 14 LEU HD2 H 0.863 0.030 2 123 14 14 LEU C C 176.726 0.300 1 124 14 14 LEU CA C 54.776 0.300 1 125 14 14 LEU CB C 42.220 0.300 1 126 14 14 LEU CG C 26.933 0.300 1 127 14 14 LEU CD1 C 24.865 0.300 2 128 14 14 LEU CD2 C 23.696 0.300 2 129 14 14 LEU N N 122.925 0.300 1 130 15 15 LEU H H 8.067 0.030 1 131 15 15 LEU HA H 4.474 0.030 1 132 15 15 LEU HB2 H 1.634 0.030 1 133 15 15 LEU HB3 H 1.634 0.030 1 134 15 15 LEU HG H 1.632 0.030 1 135 15 15 LEU HD1 H 0.920 0.030 2 136 15 15 LEU HD2 H 0.879 0.030 2 137 15 15 LEU C C 176.617 0.300 1 138 15 15 LEU CA C 54.761 0.300 1 139 15 15 LEU CB C 43.082 0.300 1 140 15 15 LEU CG C 27.113 0.300 1 141 15 15 LEU CD1 C 25.113 0.300 2 142 15 15 LEU CD2 C 23.470 0.300 2 143 15 15 LEU N N 122.811 0.300 1 144 16 16 ASP H H 8.508 0.030 1 145 16 16 ASP HA H 4.708 0.030 1 146 16 16 ASP HB2 H 2.711 0.030 2 147 16 16 ASP HB3 H 2.645 0.030 2 148 16 16 ASP C C 175.476 0.300 1 149 16 16 ASP CA C 54.183 0.300 1 150 16 16 ASP CB C 41.386 0.300 1 151 16 16 ASP N N 120.975 0.300 1 152 17 17 VAL H H 7.629 0.030 1 153 17 17 VAL HA H 5.116 0.030 1 154 17 17 VAL HB H 1.610 0.030 1 155 17 17 VAL HG1 H 0.650 0.030 2 156 17 17 VAL HG2 H 0.667 0.030 2 157 17 17 VAL C C 175.641 0.300 1 158 17 17 VAL CA C 58.177 0.300 1 159 17 17 VAL CB C 36.479 0.300 1 160 17 17 VAL CG1 C 18.031 0.300 2 161 17 17 VAL CG2 C 21.628 0.300 2 162 17 17 VAL N N 110.899 0.300 1 163 18 18 ALA H H 8.459 0.030 1 164 18 18 ALA HA H 4.622 0.030 1 165 18 18 ALA HB H 1.215 0.030 1 166 18 18 ALA C C 176.228 0.300 1 167 18 18 ALA CA C 49.065 0.300 1 168 18 18 ALA CB C 17.231 0.300 1 169 18 18 ALA N N 125.814 0.300 1 170 19 19 PRO HA H 4.337 0.030 1 171 19 19 PRO HB2 H 2.321 0.030 2 172 19 19 PRO HB3 H 1.908 0.030 2 173 19 19 PRO HG3 H 2.086 0.030 2 174 19 19 PRO HD2 H 4.106 0.030 2 175 19 19 PRO HD3 H 4.145 0.030 2 176 19 19 PRO C C 175.427 0.300 1 177 19 19 PRO CA C 64.364 0.300 1 178 19 19 PRO CB C 32.535 0.300 1 179 19 19 PRO CG C 27.522 0.300 1 180 19 19 PRO CD C 51.072 0.300 1 181 20 20 LEU H H 7.369 0.030 1 182 20 20 LEU HA H 4.566 0.030 1 183 20 20 LEU HB2 H 1.385 0.030 2 184 20 20 LEU HB3 H 1.655 0.030 2 185 20 20 LEU HG H 0.870 0.030 1 186 20 20 LEU HD1 H 1.148 0.030 2 187 20 20 LEU C C 175.938 0.300 1 188 20 20 LEU CA C 52.546 0.300 1 189 20 20 LEU CB C 48.353 0.300 1 190 20 20 LEU CG C 27.331 0.300 1 191 20 20 LEU CD1 C 24.470 0.300 2 192 20 20 LEU N N 113.991 0.300 1 193 21 21 SER H H 10.655 0.030 1 194 21 21 SER HA H 4.672 0.030 1 195 21 21 SER HB2 H 4.093 0.030 2 196 21 21 SER HB3 H 3.563 0.030 2 197 21 21 SER C C 172.779 0.300 1 198 21 21 SER CA C 59.422 0.300 1 199 21 21 SER CB C 62.914 0.300 1 200 21 21 SER N N 119.711 0.300 1 201 22 22 LEU H H 8.965 0.030 1 202 22 22 LEU HA H 5.453 0.030 1 203 22 22 LEU HB2 H 1.810 0.030 2 204 22 22 LEU HB3 H 1.457 0.030 2 205 22 22 LEU HG H 1.871 0.030 1 206 22 22 LEU HD1 H 0.930 0.030 2 207 22 22 LEU C C 177.560 0.300 1 208 22 22 LEU CA C 52.678 0.300 1 209 22 22 LEU CB C 47.177 0.300 1 210 22 22 LEU CG C 26.281 0.300 1 211 22 22 LEU CD1 C 24.509 0.300 2 212 22 22 LEU N N 120.930 0.300 1 213 23 23 GLY H H 9.348 0.030 1 214 23 23 GLY HA2 H 3.971 0.030 2 215 23 23 GLY HA3 H 4.437 0.030 2 216 23 23 GLY C C 170.291 0.300 1 217 23 23 GLY CA C 46.604 0.300 1 218 23 23 GLY N N 111.745 0.300 1 219 24 24 LEU H H 8.490 0.030 1 220 24 24 LEU HA H 6.214 0.030 1 221 24 24 LEU HB2 H 1.688 0.030 2 222 24 24 LEU HB3 H 1.454 0.030 2 223 24 24 LEU HG H 1.369 0.030 1 224 24 24 LEU HD1 H 0.319 0.030 2 225 24 24 LEU HD2 H 0.629 0.030 2 226 24 24 LEU C C 175.337 0.300 1 227 24 24 LEU CA C 52.556 0.300 1 228 24 24 LEU CB C 45.673 0.300 1 229 24 24 LEU CG C 26.645 0.300 1 230 24 24 LEU CD1 C 26.064 0.300 2 231 24 24 LEU CD2 C 26.622 0.300 2 232 24 24 LEU N N 119.725 0.300 1 233 25 25 GLU H H 7.360 0.030 1 234 25 25 GLU HA H 4.817 0.030 1 235 25 25 GLU HB2 H 2.068 0.030 2 236 25 25 GLU HB3 H 2.309 0.030 2 237 25 25 GLU HG3 H 2.084 0.030 2 238 25 25 GLU C C 177.170 0.300 1 239 25 25 GLU CA C 55.623 0.300 1 240 25 25 GLU CB C 32.614 0.300 1 241 25 25 GLU CG C 38.139 0.300 1 242 25 25 GLU N N 117.877 0.300 1 243 26 26 THR H H 9.635 0.030 1 244 26 26 THR HA H 4.792 0.030 1 245 26 26 THR HG2 H 1.142 0.030 1 246 26 26 THR C C 174.153 0.300 1 247 26 26 THR CA C 60.684 0.300 1 248 26 26 THR CB C 69.904 0.300 1 249 26 26 THR CG2 C 22.217 0.300 1 250 26 26 THR N N 122.249 0.300 1 251 27 27 ALA H H 8.252 0.030 1 252 27 27 ALA HA H 3.945 0.030 1 253 27 27 ALA HB H 0.658 0.030 1 254 27 27 ALA C C 177.519 0.300 1 255 27 27 ALA CA C 53.501 0.300 1 256 27 27 ALA CB C 18.976 0.300 1 257 27 27 ALA N N 119.439 0.300 1 258 28 28 GLY H H 8.421 0.030 1 259 28 28 GLY HA2 H 3.351 0.030 2 260 28 28 GLY HA3 H 4.022 0.030 2 261 28 28 GLY C C 174.625 0.300 1 262 28 28 GLY CA C 44.458 0.300 1 263 28 28 GLY N N 107.743 0.300 1 264 29 29 GLY H H 7.980 0.030 1 265 29 29 GLY HA2 H 3.705 0.030 2 266 29 29 GLY HA3 H 3.274 0.030 2 267 29 29 GLY C C 174.048 0.300 1 268 29 29 GLY CA C 45.629 0.300 1 269 29 29 GLY N N 106.553 0.300 1 270 30 30 VAL H H 6.994 0.030 1 271 30 30 VAL HA H 4.117 0.030 1 272 30 30 VAL HB H 1.718 0.030 1 273 30 30 VAL HG1 H 0.775 0.030 2 274 30 30 VAL HG2 H 0.834 0.030 2 275 30 30 VAL C C 174.532 0.300 1 276 30 30 VAL CA C 61.928 0.300 1 277 30 30 VAL CB C 34.173 0.300 1 278 30 30 VAL CG1 C 22.621 0.300 2 279 30 30 VAL CG2 C 21.506 0.300 2 280 30 30 VAL N N 123.731 0.300 1 281 31 31 MET H H 8.744 0.030 1 282 31 31 MET HA H 3.997 0.030 1 283 31 31 MET HB3 H 2.261 0.030 2 284 31 31 MET HE H 1.758 0.030 1 285 31 31 MET C C 174.523 0.300 1 286 31 31 MET CA C 54.805 0.300 1 287 31 31 MET CB C 33.434 0.300 1 288 31 31 MET CG C 32.070 0.300 1 289 31 31 MET CE C 18.312 0.300 1 290 31 31 MET N N 125.308 0.300 1 291 32 32 THR H H 8.987 0.030 1 292 32 32 THR HA H 4.503 0.030 1 293 32 32 THR HB H 4.010 0.030 1 294 32 32 THR HG2 H 1.276 0.030 1 295 32 32 THR C C 173.447 0.300 1 296 32 32 THR CA C 62.300 0.300 1 297 32 32 THR CB C 69.462 0.300 1 298 32 32 THR CG2 C 21.201 0.300 1 299 32 32 THR N N 130.021 0.300 1 300 33 33 ALA H H 8.864 0.030 1 301 33 33 ALA HA H 4.117 0.030 1 302 33 33 ALA HB H 1.211 0.030 1 303 33 33 ALA C C 176.862 0.300 1 304 33 33 ALA CA C 52.809 0.300 1 305 33 33 ALA CB C 18.879 0.300 1 306 33 33 ALA N N 129.034 0.300 1 307 34 34 LEU H H 8.747 0.030 1 308 34 34 LEU HA H 4.420 0.030 1 309 34 34 LEU HB2 H 0.457 0.030 2 310 34 34 LEU HB3 H 1.230 0.030 2 311 34 34 LEU HG H 1.458 0.030 1 312 34 34 LEU HD1 H 0.674 0.030 2 313 34 34 LEU HD2 H 0.597 0.030 2 314 34 34 LEU C C 176.328 0.300 1 315 34 34 LEU CA C 56.702 0.300 1 316 34 34 LEU CB C 43.911 0.300 1 317 34 34 LEU CG C 30.819 0.300 1 318 34 34 LEU CD1 C 25.579 0.300 2 319 34 34 LEU CD2 C 24.506 0.300 2 320 34 34 LEU N N 123.272 0.300 1 321 35 35 ILE H H 7.726 0.030 1 322 35 35 ILE HA H 4.373 0.030 1 323 35 35 ILE HB H 1.812 0.030 1 324 35 35 ILE HG12 H 1.419 0.030 2 325 35 35 ILE HG13 H 1.095 0.030 2 326 35 35 ILE HG2 H 0.791 0.030 1 327 35 35 ILE HD1 H 0.897 0.030 1 328 35 35 ILE C C 175.015 0.300 1 329 35 35 ILE CA C 59.208 0.300 1 330 35 35 ILE CB C 40.676 0.300 1 331 35 35 ILE CG1 C 27.203 0.300 1 332 35 35 ILE CG2 C 16.204 0.300 1 333 35 35 ILE CD1 C 13.868 0.300 1 334 35 35 ILE N N 117.873 0.300 1 335 36 36 LYS H H 8.675 0.030 1 336 36 36 LYS HA H 4.202 0.030 1 337 36 36 LYS HB3 H 1.628 0.030 2 338 36 36 LYS HD3 H 1.416 0.030 2 339 36 36 LYS C C 176.970 0.300 1 340 36 36 LYS CA C 56.109 0.300 1 341 36 36 LYS CB C 33.424 0.300 1 342 36 36 LYS CG C 25.234 0.300 1 343 36 36 LYS CD C 28.871 0.300 1 344 36 36 LYS CE C 42.002 0.300 1 345 36 36 LYS N N 125.802 0.300 1 346 37 37 ARG H H 8.339 0.030 1 347 37 37 ARG HA H 3.423 0.030 1 348 37 37 ARG HB2 H 1.899 0.030 2 349 37 37 ARG HB3 H 1.560 0.030 2 350 37 37 ARG HG2 H 1.418 0.030 2 351 37 37 ARG HG3 H 1.205 0.030 2 352 37 37 ARG HD2 H 3.211 0.030 2 353 37 37 ARG HD3 H 2.990 0.030 2 354 37 37 ARG HE H 7.163 0.030 1 355 37 37 ARG C C 175.648 0.300 1 356 37 37 ARG CA C 57.910 0.300 1 357 37 37 ARG CB C 30.080 0.300 1 358 37 37 ARG CG C 27.293 0.300 1 359 37 37 ARG CD C 43.321 0.300 1 360 37 37 ARG N N 125.264 0.300 1 361 37 37 ARG NE N 84.186 0.300 1 362 38 38 ASN H H 9.454 0.030 1 363 38 38 ASN HA H 4.180 0.030 1 364 38 38 ASN HB2 H 3.188 0.030 2 365 38 38 ASN HB3 H 3.026 0.030 2 366 38 38 ASN HD21 H 6.523 0.030 2 367 38 38 ASN HD22 H 7.616 0.030 2 368 38 38 ASN C C 174.599 0.300 1 369 38 38 ASN CA C 55.307 0.300 1 370 38 38 ASN CB C 36.100 0.300 1 371 38 38 ASN N N 118.925 0.300 1 372 38 38 ASN ND2 N 110.898 0.300 1 373 39 39 SER H H 7.850 0.030 1 374 39 39 SER HA H 4.455 0.030 1 375 39 39 SER HB2 H 3.924 0.030 2 376 39 39 SER HB3 H 3.726 0.030 2 377 39 39 SER C C 173.738 0.300 1 378 39 39 SER CA C 59.907 0.300 1 379 39 39 SER CB C 63.744 0.300 1 380 39 39 SER N N 115.517 0.300 1 381 40 40 THR H H 8.426 0.030 1 382 40 40 THR HA H 4.497 0.030 1 383 40 40 THR HB H 4.169 0.030 1 384 40 40 THR HG2 H 1.280 0.030 1 385 40 40 THR C C 173.619 0.300 1 386 40 40 THR CA C 63.293 0.300 1 387 40 40 THR CB C 69.696 0.300 1 388 40 40 THR CG2 C 22.456 0.300 1 389 40 40 THR N N 118.333 0.300 1 390 41 41 ILE H H 7.715 0.030 1 391 41 41 ILE HA H 4.236 0.030 1 392 41 41 ILE HB H 1.570 0.030 1 393 41 41 ILE HG12 H 0.626 0.030 2 394 41 41 ILE HG13 H 1.228 0.030 2 395 41 41 ILE HG2 H 0.746 0.030 1 396 41 41 ILE HD1 H 0.698 0.030 1 397 41 41 ILE C C 173.683 0.300 1 398 41 41 ILE CA C 57.815 0.300 1 399 41 41 ILE CB C 39.059 0.300 1 400 41 41 ILE CG1 C 25.981 0.300 1 401 41 41 ILE CG2 C 18.364 0.300 1 402 41 41 ILE CD1 C 13.265 0.300 1 403 41 41 ILE N N 118.009 0.300 1 404 42 42 PRO HA H 4.439 0.030 1 405 42 42 PRO HB2 H 2.359 0.030 2 406 42 42 PRO HB3 H 2.205 0.030 2 407 42 42 PRO HG2 H 1.944 0.030 2 408 42 42 PRO HG3 H 1.850 0.030 2 409 42 42 PRO HD2 H 3.746 0.030 2 410 42 42 PRO HD3 H 3.427 0.030 2 411 42 42 PRO C C 175.882 0.300 1 412 42 42 PRO CA C 62.315 0.300 1 413 42 42 PRO CB C 36.569 0.300 1 414 42 42 PRO CG C 24.638 0.300 1 415 42 42 PRO CD C 51.342 0.300 1 416 43 43 THR H H 8.458 0.030 1 417 43 43 THR HA H 4.629 0.030 1 418 43 43 THR HB H 4.597 0.030 1 419 43 43 THR HG2 H 1.081 0.030 1 420 43 43 THR C C 169.794 0.300 1 421 43 43 THR CA C 61.737 0.300 1 422 43 43 THR CB C 68.549 0.300 1 423 43 43 THR CG2 C 19.531 0.300 1 424 43 43 THR N N 115.317 0.300 1 425 44 44 LYS H H 7.768 0.030 1 426 44 44 LYS HA H 5.573 0.030 1 427 44 44 LYS HB3 H 1.798 0.030 2 428 44 44 LYS HG3 H 1.284 0.030 2 429 44 44 LYS HD3 H 1.614 0.030 2 430 44 44 LYS HE3 H 2.892 0.030 2 431 44 44 LYS C C 175.409 0.300 1 432 44 44 LYS CA C 55.146 0.300 1 433 44 44 LYS CB C 35.517 0.300 1 434 44 44 LYS CG C 24.494 0.300 1 435 44 44 LYS CD C 29.721 0.300 1 436 44 44 LYS CE C 41.771 0.300 1 437 44 44 LYS N N 123.947 0.300 1 438 45 45 GLN H H 9.071 0.030 1 439 45 45 GLN HA H 4.829 0.030 1 440 45 45 GLN HB2 H 1.701 0.030 2 441 45 45 GLN HB3 H 2.139 0.030 2 442 45 45 GLN HG2 H 2.392 0.030 2 443 45 45 GLN HG3 H 2.573 0.030 2 444 45 45 GLN HE21 H 6.933 0.030 2 445 45 45 GLN HE22 H 7.438 0.030 2 446 45 45 GLN C C 174.064 0.300 1 447 45 45 GLN CA C 54.386 0.300 1 448 45 45 GLN CB C 33.593 0.300 1 449 45 45 GLN CG C 33.231 0.300 1 450 45 45 GLN N N 123.697 0.300 1 451 45 45 GLN NE2 N 112.368 0.300 1 452 46 46 THR H H 8.680 0.030 1 453 46 46 THR HA H 5.709 0.030 1 454 46 46 THR HB H 3.716 0.030 1 455 46 46 THR HG2 H 1.126 0.030 1 456 46 46 THR C C 174.149 0.300 1 457 46 46 THR CA C 61.486 0.300 1 458 46 46 THR CB C 72.004 0.300 1 459 46 46 THR CG2 C 22.439 0.300 1 460 46 46 THR N N 120.805 0.300 1 461 47 47 GLN H H 9.164 0.030 1 462 47 47 GLN HA H 4.587 0.030 1 463 47 47 GLN HB2 H 2.167 0.030 2 464 47 47 GLN HB3 H 1.829 0.030 2 465 47 47 GLN HE21 H 6.566 0.030 2 466 47 47 GLN HE22 H 7.388 0.030 2 467 47 47 GLN C C 173.074 0.300 1 468 47 47 GLN CA C 54.909 0.300 1 469 47 47 GLN CB C 34.350 0.300 1 470 47 47 GLN N N 125.309 0.300 1 471 47 47 GLN NE2 N 110.397 0.300 1 472 48 48 ILE H H 8.379 0.030 1 473 48 48 ILE HA H 4.720 0.030 1 474 48 48 ILE HB H 1.745 0.030 1 475 48 48 ILE HG12 H 1.159 0.030 2 476 48 48 ILE HG13 H 1.554 0.030 2 477 48 48 ILE HG2 H 0.867 0.030 1 478 48 48 ILE HD1 H 0.816 0.030 1 479 48 48 ILE C C 175.511 0.300 1 480 48 48 ILE CA C 60.162 0.300 1 481 48 48 ILE CB C 37.611 0.300 1 482 48 48 ILE CG1 C 27.923 0.300 1 483 48 48 ILE CG2 C 18.155 0.300 1 484 48 48 ILE CD1 C 11.759 0.300 1 485 48 48 ILE N N 122.022 0.300 1 486 49 49 PHE H H 9.614 0.030 1 487 49 49 PHE HA H 5.039 0.030 1 488 49 49 PHE HB2 H 3.281 0.030 2 489 49 49 PHE HB3 H 2.719 0.030 2 490 49 49 PHE HD1 H 7.126 0.030 1 491 49 49 PHE HD2 H 7.126 0.030 1 492 49 49 PHE C C 173.129 0.300 1 493 49 49 PHE CA C 56.743 0.300 1 494 49 49 PHE CB C 43.246 0.300 1 495 49 49 PHE CD1 C 132.048 0.300 1 496 49 49 PHE CD2 C 132.048 0.300 1 497 49 49 PHE N N 128.125 0.300 1 498 50 50 THR H H 8.758 0.030 1 499 50 50 THR HA H 4.925 0.030 1 500 50 50 THR HB H 4.089 0.030 1 501 50 50 THR HG2 H 1.249 0.030 1 502 50 50 THR C C 173.991 0.300 1 503 50 50 THR CA C 58.880 0.300 1 504 50 50 THR CB C 70.640 0.300 1 505 50 50 THR CG2 C 17.107 0.300 1 506 50 50 THR N N 114.403 0.300 1 507 51 51 THR H H 8.776 0.030 1 508 51 51 THR HG2 H 1.057 0.030 1 509 51 51 THR C C 174.368 0.300 1 510 51 51 THR CA C 60.166 0.300 1 511 51 51 THR CB C 68.746 0.300 1 512 51 51 THR CG2 C 23.565 0.300 1 513 51 51 THR N N 110.045 0.300 1 514 52 52 TYR H H 8.240 0.030 1 515 52 52 TYR HA H 4.546 0.030 1 516 52 52 TYR HB2 H 3.064 0.030 2 517 52 52 TYR HB3 H 2.707 0.030 2 518 52 52 TYR HD1 H 7.070 0.030 1 519 52 52 TYR HD2 H 7.070 0.030 1 520 52 52 TYR HE1 H 6.788 0.030 1 521 52 52 TYR HE2 H 6.788 0.030 1 522 52 52 TYR C C 174.633 0.300 1 523 52 52 TYR CA C 58.457 0.300 1 524 52 52 TYR CB C 41.256 0.300 1 525 52 52 TYR CD1 C 132.989 0.300 1 526 52 52 TYR CD2 C 132.989 0.300 1 527 52 52 TYR CE1 C 118.238 0.300 1 528 52 52 TYR CE2 C 118.238 0.300 1 529 52 52 TYR N N 121.275 0.300 1 530 53 53 SER H H 8.608 0.030 1 531 53 53 SER HA H 4.684 0.030 1 532 53 53 SER HB2 H 3.899 0.030 2 533 53 53 SER HB3 H 3.817 0.030 2 534 53 53 SER C C 173.303 0.300 1 535 53 53 SER CA C 56.728 0.300 1 536 53 53 SER CB C 65.880 0.300 1 537 53 53 SER N N 113.364 0.300 1 538 54 54 ASP H H 8.784 0.030 1 539 54 54 ASP HA H 4.431 0.030 1 540 54 54 ASP HB2 H 2.555 0.030 2 541 54 54 ASP HB3 H 2.472 0.030 2 542 54 54 ASP C C 176.728 0.300 1 543 54 54 ASP CA C 55.547 0.300 1 544 54 54 ASP CB C 40.980 0.300 1 545 54 54 ASP N N 122.058 0.300 1 546 55 55 ASN H H 9.035 0.030 1 547 55 55 ASN HA H 4.274 0.030 1 548 55 55 ASN HB2 H 2.994 0.030 2 549 55 55 ASN HB3 H 2.836 0.030 2 550 55 55 ASN HD21 H 7.506 0.030 2 551 55 55 ASN HD22 H 6.717 0.030 2 552 55 55 ASN C C 174.043 0.300 1 553 55 55 ASN CA C 54.918 0.300 1 554 55 55 ASN CB C 36.444 0.300 1 555 55 55 ASN N N 116.134 0.300 1 556 55 55 ASN ND2 N 113.079 0.300 1 557 56 56 GLN H H 7.607 0.030 1 558 56 56 GLN HA H 4.411 0.030 1 559 56 56 GLN HB3 H 2.646 0.030 2 560 56 56 GLN HG3 H 2.720 0.030 2 561 56 56 GLN HE21 H 8.108 0.030 2 562 56 56 GLN HE22 H 7.949 0.030 2 563 56 56 GLN C C 176.691 0.300 1 564 56 56 GLN CA C 54.969 0.300 1 565 56 56 GLN CB C 30.414 0.300 1 566 56 56 GLN CG C 33.720 0.300 1 567 56 56 GLN N N 123.731 0.300 1 568 56 56 GLN NE2 N 114.055 0.300 1 569 57 57 PRO HA H 4.901 0.030 1 570 57 57 PRO HB3 H 2.164 0.030 2 571 57 57 PRO HG2 H 1.955 0.030 2 572 57 57 PRO HG3 H 2.101 0.030 2 573 57 57 PRO HD2 H 4.054 0.030 2 574 57 57 PRO HD3 H 3.724 0.030 2 575 57 57 PRO C C 175.683 0.300 1 576 57 57 PRO CA C 64.243 0.300 1 577 57 57 PRO CB C 32.070 0.300 1 578 57 57 PRO CG C 26.855 0.300 1 579 57 57 PRO CD C 50.980 0.300 1 580 58 58 GLY H H 7.051 0.030 1 581 58 58 GLY HA2 H 4.696 0.030 2 582 58 58 GLY HA3 H 4.129 0.030 2 583 58 58 GLY C C 172.298 0.300 1 584 58 58 GLY CA C 45.432 0.300 1 585 58 58 GLY N N 105.924 0.300 1 586 59 59 VAL H H 8.671 0.030 1 587 59 59 VAL HA H 4.452 0.030 1 588 59 59 VAL HB H 1.795 0.030 1 589 59 59 VAL HG1 H 0.743 0.030 2 590 59 59 VAL HG2 H 0.610 0.030 2 591 59 59 VAL C C 172.703 0.300 1 592 59 59 VAL CA C 58.958 0.300 1 593 59 59 VAL CB C 35.184 0.300 1 594 59 59 VAL CG1 C 19.380 0.300 2 595 59 59 VAL CG2 C 23.302 0.300 2 596 59 59 VAL N N 109.546 0.300 1 597 60 60 LEU H H 8.173 0.030 1 598 60 60 LEU HA H 4.509 0.030 1 599 60 60 LEU HB2 H 1.579 0.030 2 600 60 60 LEU HB3 H 1.030 0.030 2 601 60 60 LEU HG H 1.043 0.030 1 602 60 60 LEU HD1 H 0.619 0.030 2 603 60 60 LEU HD2 H 0.603 0.030 2 604 60 60 LEU C C 174.684 0.300 1 605 60 60 LEU CA C 53.501 0.300 1 606 60 60 LEU CB C 42.832 0.300 1 607 60 60 LEU CG C 27.524 0.300 1 608 60 60 LEU CD1 C 25.992 0.300 2 609 60 60 LEU CD2 C 22.834 0.300 2 610 60 60 LEU N N 124.175 0.300 1 611 61 61 ILE H H 8.887 0.030 1 612 61 61 ILE HA H 3.852 0.030 1 613 61 61 ILE HB H 0.595 0.030 1 614 61 61 ILE HG12 H 0.544 0.030 2 615 61 61 ILE HG13 H 0.753 0.030 2 616 61 61 ILE HG2 H 0.335 0.030 1 617 61 61 ILE HD1 H 0.207 0.030 1 618 61 61 ILE C C 173.755 0.300 1 619 61 61 ILE CA C 58.700 0.300 1 620 61 61 ILE CB C 34.157 0.300 1 621 61 61 ILE CG1 C 26.844 0.300 1 622 61 61 ILE CG2 C 18.349 0.300 1 623 61 61 ILE CD1 C 11.486 0.300 1 624 61 61 ILE N N 129.881 0.300 1 625 62 62 GLN H H 9.017 0.030 1 626 62 62 GLN HA H 4.780 0.030 1 627 62 62 GLN HB2 H 2.207 0.030 2 628 62 62 GLN HB3 H 1.985 0.030 2 629 62 62 GLN HE21 H 7.979 0.030 2 630 62 62 GLN HE22 H 6.782 0.030 2 631 62 62 GLN C C 173.645 0.300 1 632 62 62 GLN CA C 54.697 0.300 1 633 62 62 GLN CB C 33.054 0.300 1 634 62 62 GLN N N 126.193 0.300 1 635 62 62 GLN NE2 N 114.868 0.300 1 636 63 63 VAL H H 8.698 0.030 1 637 63 63 VAL HA H 4.616 0.030 1 638 63 63 VAL HB H 1.754 0.030 1 639 63 63 VAL HG1 H 0.694 0.030 2 640 63 63 VAL HG2 H 0.851 0.030 2 641 63 63 VAL C C 174.286 0.300 1 642 63 63 VAL CA C 61.874 0.300 1 643 63 63 VAL CB C 32.195 0.300 1 644 63 63 VAL CG1 C 21.326 0.300 2 645 63 63 VAL CG2 C 21.326 0.300 2 646 63 63 VAL N N 123.326 0.300 1 647 64 64 TYR H H 9.046 0.030 1 648 64 64 TYR HA H 5.221 0.030 1 649 64 64 TYR HB2 H 2.537 0.030 2 650 64 64 TYR HB3 H 2.317 0.030 2 651 64 64 TYR HD1 H 6.567 0.030 1 652 64 64 TYR HD2 H 6.567 0.030 1 653 64 64 TYR C C 174.237 0.300 1 654 64 64 TYR CA C 57.352 0.300 1 655 64 64 TYR CB C 46.308 0.300 1 656 64 64 TYR CD1 C 133.126 0.300 1 657 64 64 TYR CD2 C 133.126 0.300 1 658 64 64 TYR N N 127.486 0.300 1 659 65 65 GLU H H 9.074 0.030 1 660 65 65 GLU HA H 5.780 0.030 1 661 65 65 GLU HB2 H 2.082 0.030 2 662 65 65 GLU HB3 H 1.827 0.030 2 663 65 65 GLU HG3 H 2.264 0.030 2 664 65 65 GLU C C 175.588 0.300 1 665 65 65 GLU CA C 53.044 0.300 1 666 65 65 GLU CB C 34.003 0.300 1 667 65 65 GLU CG C 36.893 0.300 1 668 65 65 GLU N N 118.260 0.300 1 669 66 66 GLY H H 8.870 0.030 1 670 66 66 GLY HA2 H 4.973 0.030 2 671 66 66 GLY HA3 H 3.695 0.030 2 672 66 66 GLY C C 172.700 0.300 1 673 66 66 GLY CA C 44.099 0.300 1 674 66 66 GLY N N 111.766 0.300 1 675 67 67 GLU H H 8.178 0.030 1 676 67 67 GLU HA H 4.473 0.030 1 677 67 67 GLU HB2 H 1.512 0.030 2 678 67 67 GLU HB3 H 2.430 0.030 2 679 67 67 GLU C C 177.847 0.300 1 680 67 67 GLU CA C 54.698 0.300 1 681 67 67 GLU CB C 31.702 0.300 1 682 67 67 GLU CG C 36.147 0.300 1 683 67 67 GLU N N 111.288 0.300 1 684 68 68 ARG H H 8.442 0.030 1 685 68 68 ARG HA H 4.404 0.030 1 686 68 68 ARG HB3 H 2.579 0.030 2 687 68 68 ARG HG3 H 1.581 0.030 2 688 68 68 ARG HD2 H 2.904 0.030 2 689 68 68 ARG HD3 H 3.337 0.030 2 690 68 68 ARG HE H 9.311 0.030 1 691 68 68 ARG C C 177.697 0.300 1 692 68 68 ARG CA C 53.591 0.300 1 693 68 68 ARG CB C 27.421 0.300 1 694 68 68 ARG CG C 27.340 0.300 1 695 68 68 ARG CD C 39.546 0.300 1 696 68 68 ARG N N 118.367 0.300 1 697 68 68 ARG NE N 80.874 0.300 1 698 69 69 ALA H H 7.388 0.030 1 699 69 69 ALA HA H 4.059 0.030 1 700 69 69 ALA HB H 1.325 0.030 1 701 69 69 ALA C C 176.290 0.300 1 702 69 69 ALA CA C 54.785 0.300 1 703 69 69 ALA CB C 21.169 0.300 1 704 69 69 ALA N N 122.037 0.300 1 705 70 70 MET H H 8.747 0.030 1 706 70 70 MET HA H 5.170 0.030 1 707 70 70 MET HB2 H 2.008 0.030 2 708 70 70 MET HB3 H 2.044 0.030 2 709 70 70 MET HG2 H 2.512 0.030 2 710 70 70 MET HG3 H 2.365 0.030 2 711 70 70 MET HE H 1.856 0.030 1 712 70 70 MET C C 178.194 0.300 1 713 70 70 MET CA C 51.954 0.300 1 714 70 70 MET CB C 30.620 0.300 1 715 70 70 MET CG C 32.120 0.300 1 716 70 70 MET CE C 16.769 0.300 1 717 70 70 MET N N 113.975 0.300 1 718 71 71 THR H H 8.327 0.030 1 719 71 71 THR HA H 2.862 0.030 1 720 71 71 THR HB H 2.241 0.030 1 721 71 71 THR HG2 H 0.406 0.030 1 722 71 71 THR C C 176.860 0.300 1 723 71 71 THR CA C 66.091 0.300 1 724 71 71 THR CG2 C 23.570 0.300 1 725 71 71 THR N N 114.642 0.300 1 726 72 72 LYS H H 8.345 0.030 1 727 72 72 LYS HA H 4.138 0.030 1 728 72 72 LYS HB2 H 1.815 0.030 2 729 72 72 LYS HB3 H 1.632 0.030 2 730 72 72 LYS HG3 H 1.182 0.030 2 731 72 72 LYS HE3 H 2.967 0.030 2 732 72 72 LYS C C 176.195 0.300 1 733 72 72 LYS CA C 58.276 0.300 1 734 72 72 LYS CB C 30.993 0.300 1 735 72 72 LYS CG C 23.343 0.300 1 736 72 72 LYS CD C 30.823 0.300 1 737 72 72 LYS CE C 42.331 0.300 1 738 72 72 LYS N N 119.091 0.300 1 739 73 73 ASP H H 7.324 0.030 1 740 73 73 ASP HA H 4.889 0.030 1 741 73 73 ASP HB2 H 2.820 0.030 2 742 73 73 ASP HB3 H 2.369 0.030 2 743 73 73 ASP C C 174.770 0.300 1 744 73 73 ASP CA C 54.636 0.300 1 745 73 73 ASP CB C 42.562 0.300 1 746 73 73 ASP N N 117.545 0.300 1 747 74 74 ASN H H 7.726 0.030 1 748 74 74 ASN HA H 5.258 0.030 1 749 74 74 ASN HB2 H 2.142 0.030 2 750 74 74 ASN HB3 H 3.129 0.030 2 751 74 74 ASN C C 172.821 0.300 1 752 74 74 ASN CA C 51.837 0.300 1 753 74 74 ASN CB C 40.834 0.300 1 754 74 74 ASN N N 120.041 0.300 1 755 75 75 ASN H H 8.650 0.030 1 756 75 75 ASN HA H 5.238 0.030 1 757 75 75 ASN HB2 H 2.991 0.030 2 758 75 75 ASN HB3 H 2.802 0.030 2 759 75 75 ASN HD21 H 6.902 0.030 2 760 75 75 ASN HD22 H 8.556 0.030 2 761 75 75 ASN C C 173.919 0.300 1 762 75 75 ASN CA C 52.826 0.300 1 763 75 75 ASN CB C 40.492 0.300 1 764 75 75 ASN N N 116.298 0.300 1 765 75 75 ASN ND2 N 115.571 0.300 1 766 76 76 LEU H H 8.745 0.030 1 767 76 76 LEU HA H 3.385 0.030 1 768 76 76 LEU HB2 H 1.136 0.030 2 769 76 76 LEU HB3 H 1.629 0.030 2 770 76 76 LEU HG H 0.715 0.030 1 771 76 76 LEU HD1 H 0.297 0.030 2 772 76 76 LEU HD2 H 1.001 0.030 2 773 76 76 LEU C C 176.483 0.300 1 774 76 76 LEU CA C 55.666 0.300 1 775 76 76 LEU CB C 41.446 0.300 1 776 76 76 LEU CG C 26.325 0.300 1 777 76 76 LEU CD1 C 22.125 0.300 2 778 76 76 LEU CD2 C 26.850 0.300 2 779 76 76 LEU N N 129.635 0.300 1 780 77 77 LEU H H 9.392 0.030 1 781 77 77 LEU HA H 4.479 0.030 1 782 77 77 LEU HB3 H 1.337 0.030 2 783 77 77 LEU HG H 1.568 0.030 1 784 77 77 LEU HD1 H 0.680 0.030 2 785 77 77 LEU HD2 H 0.673 0.030 2 786 77 77 LEU C C 177.620 0.300 1 787 77 77 LEU CA C 54.685 0.300 1 788 77 77 LEU CB C 43.931 0.300 1 789 77 77 LEU CG C 26.852 0.300 1 790 77 77 LEU CD1 C 22.067 0.300 2 791 77 77 LEU CD2 C 25.874 0.300 2 792 77 77 LEU N N 126.382 0.300 1 793 78 78 GLY H H 7.135 0.030 1 794 78 78 GLY HA2 H 3.941 0.030 2 795 78 78 GLY HA3 H 4.031 0.030 2 796 78 78 GLY C C 169.817 0.300 1 797 78 78 GLY CA C 45.654 0.300 1 798 78 78 GLY N N 103.741 0.300 1 799 79 79 ARG H H 8.560 0.030 1 800 79 79 ARG HA H 5.740 0.030 1 801 79 79 ARG HB2 H 1.713 0.030 2 802 79 79 ARG HB3 H 1.626 0.030 2 803 79 79 ARG HG3 H 1.523 0.030 2 804 79 79 ARG HD2 H 2.984 0.030 2 805 79 79 ARG HD3 H 3.069 0.030 2 806 79 79 ARG C C 174.126 0.300 1 807 79 79 ARG CA C 54.309 0.300 1 808 79 79 ARG CB C 35.032 0.300 1 809 79 79 ARG CG C 26.645 0.300 1 810 79 79 ARG CD C 44.288 0.300 1 811 79 79 ARG N N 116.672 0.300 1 812 80 80 PHE H H 8.881 0.030 1 813 80 80 PHE HA H 4.792 0.030 1 814 80 80 PHE HB2 H 3.184 0.030 2 815 80 80 PHE HB3 H 2.967 0.030 2 816 80 80 PHE HD1 H 6.768 0.030 1 817 80 80 PHE HD2 H 6.768 0.030 1 818 80 80 PHE HE1 H 6.783 0.030 1 819 80 80 PHE HE2 H 6.783 0.030 1 820 80 80 PHE HZ H 6.783 0.030 1 821 80 80 PHE C C 171.250 0.300 1 822 80 80 PHE CA C 56.889 0.300 1 823 80 80 PHE CB C 40.355 0.300 1 824 80 80 PHE CD1 C 132.341 0.300 1 825 80 80 PHE CD2 C 132.341 0.300 1 826 80 80 PHE CE1 C 130.120 0.300 1 827 80 80 PHE CE2 C 130.120 0.300 1 828 80 80 PHE CZ C 128.344 0.300 1 829 80 80 PHE N N 115.938 0.300 1 830 81 81 GLU H H 8.938 0.030 1 831 81 81 GLU HA H 4.985 0.030 1 832 81 81 GLU HB2 H 1.839 0.030 2 833 81 81 GLU HB3 H 1.927 0.030 2 834 81 81 GLU HG2 H 2.000 0.030 2 835 81 81 GLU HG3 H 2.061 0.030 2 836 81 81 GLU C C 175.707 0.300 1 837 81 81 GLU CA C 54.584 0.300 1 838 81 81 GLU CB C 33.505 0.300 1 839 81 81 GLU CG C 36.948 0.300 1 840 81 81 GLU N N 119.904 0.300 1 841 82 82 LEU H H 8.486 0.030 1 842 82 82 LEU HA H 4.913 0.030 1 843 82 82 LEU HB2 H 0.982 0.030 2 844 82 82 LEU HB3 H 1.839 0.030 2 845 82 82 LEU HD1 H 0.890 0.030 2 846 82 82 LEU C C 174.401 0.300 1 847 82 82 LEU CA C 54.616 0.300 1 848 82 82 LEU CB C 44.192 0.300 1 849 82 82 LEU CG C 26.878 0.300 1 850 82 82 LEU CD1 C 23.449 0.300 2 851 82 82 LEU N N 125.868 0.300 1 852 83 83 SER H H 8.611 0.030 1 853 83 83 SER HA H 5.137 0.030 1 854 83 83 SER HB2 H 3.917 0.030 2 855 83 83 SER HB3 H 3.809 0.030 2 856 83 83 SER C C 173.863 0.300 1 857 83 83 SER CA C 56.814 0.300 1 858 83 83 SER CB C 65.233 0.300 1 859 83 83 SER N N 121.466 0.300 1 860 84 84 GLY H H 8.265 0.030 1 861 84 84 GLY HA2 H 3.804 0.030 2 862 84 84 GLY HA3 H 4.069 0.030 2 863 84 84 GLY C C 175.645 0.300 1 864 84 84 GLY CA C 46.229 0.300 1 865 84 84 GLY N N 108.195 0.300 1 866 85 85 ILE H H 8.002 0.030 1 867 85 85 ILE HA H 4.144 0.030 1 868 85 85 ILE HB H 1.790 0.030 1 869 85 85 ILE HG12 H 0.987 0.030 2 870 85 85 ILE HG13 H 1.345 0.030 2 871 85 85 ILE HG2 H 0.899 0.030 1 872 85 85 ILE HD1 H 0.586 0.030 1 873 85 85 ILE C C 174.362 0.300 1 874 85 85 ILE CA C 59.498 0.300 1 875 85 85 ILE CB C 37.831 0.300 1 876 85 85 ILE CG1 C 27.231 0.300 1 877 85 85 ILE CG2 C 16.294 0.300 1 878 85 85 ILE CD1 C 13.532 0.300 1 879 85 85 ILE N N 123.322 0.300 1 880 86 86 PRO HA H 4.567 0.030 1 881 86 86 PRO HD2 H 3.726 0.030 2 882 86 86 PRO HD3 H 4.247 0.030 2 883 86 86 PRO CD C 51.400 0.300 1 884 87 87 PRO HA H 4.226 0.030 1 885 87 87 PRO HB2 H 2.099 0.030 2 886 87 87 PRO HB3 H 1.888 0.030 2 887 87 87 PRO HG2 H 2.091 0.030 2 888 87 87 PRO HG3 H 1.973 0.030 2 889 87 87 PRO HD2 H 3.744 0.030 2 890 87 87 PRO HD3 H 3.618 0.030 2 891 87 87 PRO C C 175.865 0.300 1 892 87 87 PRO CA C 64.364 0.300 1 893 87 87 PRO CB C 31.702 0.300 1 894 87 87 PRO CG C 27.610 0.300 1 895 87 87 PRO CD C 50.734 0.300 1 896 88 88 ALA H H 7.954 0.030 1 897 88 88 ALA HA H 4.758 0.030 1 898 88 88 ALA HB H 1.326 0.030 1 899 88 88 ALA C C 174.073 0.300 1 900 88 88 ALA CA C 50.725 0.300 1 901 88 88 ALA CB C 19.736 0.300 1 902 88 88 ALA N N 127.434 0.300 1 903 89 89 PRO HA H 4.387 0.030 1 904 89 89 PRO HB3 H 2.424 0.030 2 905 89 89 PRO HD2 H 3.342 0.030 2 906 89 89 PRO HD3 H 3.878 0.030 2 907 89 89 PRO C C 174.957 0.300 1 908 89 89 PRO CA C 62.676 0.300 1 909 89 89 PRO CB C 32.080 0.300 1 910 89 89 PRO CG C 27.973 0.300 1 911 89 89 PRO CD C 51.015 0.300 1 912 90 90 ARG H H 9.217 0.030 1 913 90 90 ARG HA H 3.888 0.030 1 914 90 90 ARG HB2 H 1.474 0.030 2 915 90 90 ARG HB3 H 1.223 0.030 2 916 90 90 ARG HG2 H 1.635 0.030 2 917 90 90 ARG HG3 H 1.350 0.030 2 918 90 90 ARG HD3 H 3.004 0.030 2 919 90 90 ARG C C 176.319 0.300 1 920 90 90 ARG CA C 55.708 0.300 1 921 90 90 ARG CB C 29.207 0.300 1 922 90 90 ARG CG C 25.230 0.300 1 923 90 90 ARG CD C 43.851 0.300 1 924 90 90 ARG N N 120.827 0.300 1 925 91 91 GLY H H 7.358 0.030 1 926 91 91 GLY HA3 H 4.166 0.030 2 927 91 91 GLY C C 175.154 0.300 1 928 91 91 GLY CA C 46.617 0.300 1 929 91 91 GLY N N 109.022 0.300 1 930 92 92 VAL H H 7.545 0.030 1 931 92 92 VAL HA H 4.146 0.030 1 932 92 92 VAL HB H 2.335 0.030 1 933 92 92 VAL HG1 H 0.931 0.030 2 934 92 92 VAL HG2 H 0.873 0.030 2 935 92 92 VAL C C 174.362 0.300 1 936 92 92 VAL CA C 65.849 0.300 1 937 92 92 VAL CB C 30.000 0.300 1 938 92 92 VAL CG1 C 20.967 0.300 2 939 92 92 VAL CG2 C 23.572 0.300 2 940 92 92 VAL N N 119.364 0.300 1 941 93 93 PRO HA H 4.364 0.030 1 942 93 93 PRO HB2 H 1.446 0.030 2 943 93 93 PRO HB3 H 2.418 0.030 2 944 93 93 PRO HD2 H 4.103 0.030 2 945 93 93 PRO HD3 H 4.149 0.030 2 946 93 93 PRO C C 176.041 0.300 1 947 93 93 PRO CA C 64.494 0.300 1 948 93 93 PRO CB C 32.027 0.300 1 949 93 93 PRO CG C 27.113 0.300 1 950 93 93 PRO CD C 51.072 0.300 1 951 94 94 GLN H H 9.209 0.030 1 952 94 94 GLN HA H 4.804 0.030 1 953 94 94 GLN HB2 H 2.152 0.030 2 954 94 94 GLN HB3 H 1.815 0.030 2 955 94 94 GLN HG3 H 2.361 0.030 2 956 94 94 GLN HE21 H 7.312 0.030 2 957 94 94 GLN HE22 H 6.789 0.030 2 958 94 94 GLN C C 172.953 0.300 1 959 94 94 GLN CA C 54.725 0.300 1 960 94 94 GLN CB C 30.956 0.300 1 961 94 94 GLN CG C 33.618 0.300 1 962 94 94 GLN N N 122.939 0.300 1 963 94 94 GLN NE2 N 112.630 0.300 1 964 95 95 ILE H H 9.282 0.030 1 965 95 95 ILE HA H 4.829 0.030 1 966 95 95 ILE HB H 1.822 0.030 1 967 95 95 ILE HG13 H 1.227 0.030 2 968 95 95 ILE HG2 H 0.596 0.030 1 969 95 95 ILE HD1 H 0.708 0.030 1 970 95 95 ILE C C 175.393 0.300 1 971 95 95 ILE CA C 58.397 0.300 1 972 95 95 ILE CB C 38.311 0.300 1 973 95 95 ILE CG1 C 27.614 0.300 1 974 95 95 ILE CG2 C 18.167 0.300 1 975 95 95 ILE CD1 C 12.756 0.300 1 976 95 95 ILE N N 125.154 0.300 1 977 96 96 GLU H H 9.506 0.030 1 978 96 96 GLU HA H 4.636 0.030 1 979 96 96 GLU HB2 H 2.138 0.030 2 980 96 96 GLU HB3 H 1.815 0.030 2 981 96 96 GLU HG3 H 1.917 0.030 2 982 96 96 GLU C C 175.973 0.300 1 983 96 96 GLU CA C 56.447 0.300 1 984 96 96 GLU CB C 32.569 0.300 1 985 96 96 GLU CG C 38.057 0.300 1 986 96 96 GLU N N 129.681 0.300 1 987 97 97 VAL H H 9.454 0.030 1 988 97 97 VAL HA H 5.443 0.030 1 989 97 97 VAL HB H 2.291 0.030 1 990 97 97 VAL HG1 H 1.064 0.030 2 991 97 97 VAL HG2 H 0.857 0.030 2 992 97 97 VAL C C 174.052 0.300 1 993 97 97 VAL CA C 61.415 0.300 1 994 97 97 VAL CB C 33.654 0.300 1 995 97 97 VAL CG1 C 21.259 0.300 2 996 97 97 VAL CG2 C 21.739 0.300 2 997 97 97 VAL N N 131.363 0.300 1 998 98 98 THR H H 9.111 0.030 1 999 98 98 THR HA H 5.480 0.030 1 1000 98 98 THR HB H 3.922 0.030 1 1001 98 98 THR HG2 H 1.144 0.030 1 1002 98 98 THR C C 173.957 0.300 1 1003 98 98 THR CA C 61.194 0.300 1 1004 98 98 THR CB C 71.449 0.300 1 1005 98 98 THR CG2 C 22.686 0.300 1 1006 98 98 THR N N 122.777 0.300 1 1007 99 99 PHE H H 9.631 0.030 1 1008 99 99 PHE HA H 5.082 0.030 1 1009 99 99 PHE HB2 H 3.239 0.030 2 1010 99 99 PHE HB3 H 2.687 0.030 2 1011 99 99 PHE HD1 H 7.127 0.030 1 1012 99 99 PHE HD2 H 7.127 0.030 1 1013 99 99 PHE HE1 H 7.125 0.030 1 1014 99 99 PHE HE2 H 7.125 0.030 1 1015 99 99 PHE C C 172.787 0.300 1 1016 99 99 PHE CA C 56.005 0.300 1 1017 99 99 PHE CB C 40.565 0.300 1 1018 99 99 PHE CD1 C 131.975 0.300 1 1019 99 99 PHE CD2 C 131.975 0.300 1 1020 99 99 PHE CE1 C 130.627 0.300 1 1021 99 99 PHE CE2 C 130.627 0.300 1 1022 99 99 PHE N N 129.128 0.300 1 1023 100 100 ASP H H 8.803 0.030 1 1024 100 100 ASP HA H 5.311 0.030 1 1025 100 100 ASP HB2 H 2.900 0.030 2 1026 100 100 ASP HB3 H 2.335 0.030 2 1027 100 100 ASP C C 174.416 0.300 1 1028 100 100 ASP CA C 53.100 0.300 1 1029 100 100 ASP CB C 45.066 0.300 1 1030 100 100 ASP N N 124.425 0.300 1 1031 101 101 ILE H H 9.165 0.030 1 1032 101 101 ILE HA H 5.397 0.030 1 1033 101 101 ILE HB H 1.551 0.030 1 1034 101 101 ILE HG13 H 1.442 0.030 2 1035 101 101 ILE HG2 H 1.081 0.030 1 1036 101 101 ILE HD1 H 0.871 0.030 1 1037 101 101 ILE C C 175.416 0.300 1 1038 101 101 ILE CA C 59.314 0.300 1 1039 101 101 ILE CB C 41.391 0.300 1 1040 101 101 ILE CG1 C 28.483 0.300 1 1041 101 101 ILE CG2 C 17.913 0.300 1 1042 101 101 ILE CD1 C 14.748 0.300 1 1043 101 101 ILE N N 125.783 0.300 1 1044 102 102 ASP H H 8.208 0.030 1 1045 102 102 ASP HA H 4.768 0.030 1 1046 102 102 ASP HB2 H 3.264 0.030 2 1047 102 102 ASP HB3 H 2.852 0.030 2 1048 102 102 ASP C C 177.060 0.300 1 1049 102 102 ASP CA C 52.625 0.300 1 1050 102 102 ASP CB C 41.703 0.300 1 1051 102 102 ASP N N 128.896 0.300 1 1052 103 103 ALA H H 8.454 0.030 1 1053 103 103 ALA HA H 3.846 0.030 1 1054 103 103 ALA HB H 1.391 0.030 1 1055 103 103 ALA C C 177.786 0.300 1 1056 103 103 ALA CA C 54.228 0.300 1 1057 103 103 ALA CB C 18.784 0.300 1 1058 103 103 ALA N N 117.408 0.300 1 1059 104 104 ASN H H 8.163 0.030 1 1060 104 104 ASN HA H 4.817 0.030 1 1061 104 104 ASN HB2 H 2.955 0.030 2 1062 104 104 ASN HB3 H 2.854 0.030 2 1063 104 104 ASN HD21 H 6.922 0.030 2 1064 104 104 ASN HD22 H 7.839 0.030 2 1065 104 104 ASN C C 175.502 0.300 1 1066 104 104 ASN CA C 52.846 0.300 1 1067 104 104 ASN CB C 39.814 0.300 1 1068 104 104 ASN N N 113.707 0.300 1 1069 104 104 ASN ND2 N 114.587 0.300 1 1070 105 105 GLY H H 8.184 0.030 1 1071 105 105 GLY HA2 H 4.131 0.030 2 1072 105 105 GLY HA3 H 3.402 0.030 2 1073 105 105 GLY C C 173.671 0.300 1 1074 105 105 GLY CA C 45.702 0.300 1 1075 105 105 GLY N N 108.690 0.300 1 1076 106 106 ILE H H 8.332 0.030 1 1077 106 106 ILE HA H 3.798 0.030 1 1078 106 106 ILE HB H 2.068 0.030 1 1079 106 106 ILE HG12 H 1.456 0.030 2 1080 106 106 ILE HG13 H 1.100 0.030 2 1081 106 106 ILE HG2 H 0.633 0.030 1 1082 106 106 ILE HD1 H 0.827 0.030 1 1083 106 106 ILE C C 174.882 0.300 1 1084 106 106 ILE CA C 62.189 0.300 1 1085 106 106 ILE CB C 35.893 0.300 1 1086 106 106 ILE CG1 C 28.372 0.300 1 1087 106 106 ILE CG2 C 17.851 0.300 1 1088 106 106 ILE CD1 C 11.946 0.300 1 1089 106 106 ILE N N 123.352 0.300 1 1090 107 107 LEU H H 8.241 0.030 1 1091 107 107 LEU HA H 5.113 0.030 1 1092 107 107 LEU HB2 H 1.282 0.030 2 1093 107 107 LEU HB3 H 1.858 0.030 2 1094 107 107 LEU HG H 0.601 0.030 1 1095 107 107 LEU HD1 H 0.649 0.030 2 1096 107 107 LEU C C 173.719 0.300 1 1097 107 107 LEU CA C 53.209 0.300 1 1098 107 107 LEU CB C 43.954 0.300 1 1099 107 107 LEU CG C 26.484 0.300 1 1100 107 107 LEU CD1 C 23.212 0.300 2 1101 107 107 LEU N N 130.935 0.300 1 1102 108 108 ASN H H 9.553 0.030 1 1103 108 108 ASN HA H 5.431 0.030 1 1104 108 108 ASN HB2 H 2.743 0.030 2 1105 108 108 ASN HB3 H 2.325 0.030 2 1106 108 108 ASN HD21 H 6.847 0.030 2 1107 108 108 ASN HD22 H 8.008 0.030 2 1108 108 108 ASN C C 174.795 0.300 1 1109 108 108 ASN CA C 52.478 0.300 1 1110 108 108 ASN CB C 42.592 0.300 1 1111 108 108 ASN N N 126.524 0.300 1 1112 108 108 ASN ND2 N 116.588 0.300 1 1113 109 109 VAL H H 8.768 0.030 1 1114 109 109 VAL HA H 5.081 0.030 1 1115 109 109 VAL HB H 1.771 0.030 1 1116 109 109 VAL HG1 H 0.738 0.030 2 1117 109 109 VAL HG2 H -0.019 0.030 2 1118 109 109 VAL C C 174.216 0.300 1 1119 109 109 VAL CA C 60.780 0.300 1 1120 109 109 VAL CB C 33.722 0.300 1 1121 109 109 VAL CG1 C 21.472 0.300 2 1122 109 109 VAL CG2 C 18.811 0.300 2 1123 109 109 VAL N N 125.772 0.300 1 1124 110 110 THR H H 8.632 0.030 1 1125 110 110 THR HA H 5.009 0.030 1 1126 110 110 THR HB H 3.926 0.030 1 1127 110 110 THR HG2 H 1.144 0.030 1 1128 110 110 THR C C 173.178 0.300 1 1129 110 110 THR CA C 61.005 0.300 1 1130 110 110 THR CB C 71.320 0.300 1 1131 110 110 THR CG2 C 21.113 0.300 1 1132 110 110 THR N N 120.704 0.300 1 1133 111 111 ALA H H 9.070 0.030 1 1134 111 111 ALA HA H 5.692 0.030 1 1135 111 111 ALA HB H 1.241 0.030 1 1136 111 111 ALA C C 174.843 0.300 1 1137 111 111 ALA CA C 50.392 0.300 1 1138 111 111 ALA CB C 22.765 0.300 1 1139 111 111 ALA N N 127.404 0.300 1 1140 112 112 THR H H 8.885 0.030 1 1141 112 112 THR HA H 5.130 0.030 1 1142 112 112 THR HB H 3.869 0.030 1 1143 112 112 THR HG2 H 0.970 0.030 1 1144 112 112 THR C C 173.912 0.300 1 1145 112 112 THR CA C 60.989 0.300 1 1146 112 112 THR CB C 71.742 0.300 1 1147 112 112 THR CG2 C 20.329 0.300 1 1148 112 112 THR N N 117.145 0.300 1 1149 113 113 ASP H H 9.103 0.030 1 1150 113 113 ASP HA H 4.829 0.030 1 1151 113 113 ASP HB2 H 3.129 0.030 2 1152 113 113 ASP HB3 H 2.361 0.030 2 1153 113 113 ASP C C 177.126 0.300 1 1154 113 113 ASP CA C 53.852 0.300 1 1155 113 113 ASP CB C 41.770 0.300 1 1156 113 113 ASP N N 127.526 0.300 1 1157 114 114 LYS H H 8.771 0.030 1 1158 114 114 LYS HA H 4.069 0.030 1 1159 114 114 LYS HB2 H 2.050 0.030 2 1160 114 114 LYS HB3 H 1.895 0.030 2 1161 114 114 LYS HG2 H 1.459 0.030 2 1162 114 114 LYS HG3 H 1.631 0.030 2 1163 114 114 LYS HE3 H 3.083 0.030 2 1164 114 114 LYS C C 178.450 0.300 1 1165 114 114 LYS CA C 58.397 0.300 1 1166 114 114 LYS CB C 31.210 0.300 1 1167 114 114 LYS CG C 24.823 0.300 1 1168 114 114 LYS CD C 28.780 0.300 1 1169 114 114 LYS CE C 41.780 0.300 1 1170 114 114 LYS N N 126.555 0.300 1 1171 115 115 SER H H 9.008 0.030 1 1172 115 115 SER HA H 4.467 0.030 1 1173 115 115 SER HB2 H 4.127 0.030 2 1174 115 115 SER HB3 H 4.052 0.030 2 1175 115 115 SER C C 175.971 0.300 1 1176 115 115 SER CA C 61.133 0.300 1 1177 115 115 SER CB C 63.277 0.300 1 1178 115 115 SER N N 114.252 0.300 1 1179 116 116 THR H H 7.456 0.030 1 1180 116 116 THR HA H 4.471 0.030 1 1181 116 116 THR HB H 4.345 0.030 1 1182 116 116 THR HG2 H 1.279 0.030 1 1183 116 116 THR C C 176.733 0.300 1 1184 116 116 THR CA C 62.048 0.300 1 1185 116 116 THR CB C 71.330 0.300 1 1186 116 116 THR CG2 C 21.303 0.300 1 1187 116 116 THR N N 108.956 0.300 1 1188 117 117 GLY H H 8.747 0.030 1 1189 117 117 GLY HA2 H 4.223 0.030 2 1190 117 117 GLY HA3 H 3.599 0.030 2 1191 117 117 GLY C C 173.972 0.300 1 1192 117 117 GLY CA C 45.362 0.300 1 1193 117 117 GLY N N 112.470 0.300 1 1194 118 118 LYS H H 8.080 0.030 1 1195 118 118 LYS HA H 4.141 0.030 1 1196 118 118 LYS HB3 H 1.875 0.030 2 1197 118 118 LYS HG3 H 1.486 0.030 2 1198 118 118 LYS HD2 H 1.776 0.030 2 1199 118 118 LYS HD3 H 1.827 0.030 2 1200 118 118 LYS HE3 H 3.077 0.030 2 1201 118 118 LYS C C 174.682 0.300 1 1202 118 118 LYS CA C 57.794 0.300 1 1203 118 118 LYS CB C 32.783 0.300 1 1204 118 118 LYS CG C 25.727 0.300 1 1205 118 118 LYS CD C 28.871 0.300 1 1206 118 118 LYS CE C 42.660 0.300 1 1207 118 118 LYS N N 123.097 0.300 1 1208 119 119 ALA H H 8.264 0.030 1 1209 119 119 ALA HA H 5.836 0.030 1 1210 119 119 ALA HB H 1.310 0.030 1 1211 119 119 ALA C C 177.517 0.300 1 1212 119 119 ALA CA C 50.732 0.300 1 1213 119 119 ALA CB C 24.690 0.300 1 1214 119 119 ALA N N 124.280 0.300 1 1215 120 120 ASN H H 8.883 0.030 1 1216 120 120 ASN HA H 4.985 0.030 1 1217 120 120 ASN HB2 H 3.007 0.030 2 1218 120 120 ASN HB3 H 2.774 0.030 2 1219 120 120 ASN HD21 H 7.268 0.030 2 1220 120 120 ASN HD22 H 8.090 0.030 2 1221 120 120 ASN C C 171.474 0.300 1 1222 120 120 ASN CA C 51.438 0.300 1 1223 120 120 ASN CB C 41.361 0.300 1 1224 120 120 ASN N N 116.306 0.300 1 1225 120 120 ASN ND2 N 110.498 0.300 1 1226 121 121 LYS H H 7.887 0.030 1 1227 121 121 LYS HA H 4.973 0.030 1 1228 121 121 LYS HB3 H 1.571 0.030 2 1229 121 121 LYS HG2 H 1.152 0.030 2 1230 121 121 LYS HG3 H 1.012 0.030 2 1231 121 121 LYS HE3 H 2.720 0.030 2 1232 121 121 LYS C C 174.082 0.300 1 1233 121 121 LYS CA C 54.484 0.300 1 1234 121 121 LYS CB C 36.667 0.300 1 1235 121 121 LYS CG C 22.977 0.300 1 1236 121 121 LYS CD C 29.451 0.300 1 1237 121 121 LYS CE C 42.130 0.300 1 1238 121 121 LYS N N 119.153 0.300 1 1239 122 122 ILE H H 8.230 0.030 1 1240 122 122 ILE HA H 4.332 0.030 1 1241 122 122 ILE HB H 1.417 0.030 1 1242 122 122 ILE HG13 H 0.988 0.030 2 1243 122 122 ILE HG2 H 0.636 0.030 1 1244 122 122 ILE HD1 H 0.797 0.030 1 1245 122 122 ILE C C 172.180 0.300 1 1246 122 122 ILE CA C 60.318 0.300 1 1247 122 122 ILE CB C 42.532 0.300 1 1248 122 122 ILE CG1 C 27.434 0.300 1 1249 122 122 ILE CG2 C 16.693 0.300 1 1250 122 122 ILE CD1 C 14.160 0.300 1 1251 122 122 ILE N N 116.970 0.300 1 1252 123 123 THR H H 8.176 0.030 1 1253 123 123 THR HA H 4.877 0.030 1 1254 123 123 THR HB H 3.645 0.030 1 1255 123 123 THR HG2 H 0.987 0.030 1 1256 123 123 THR C C 173.792 0.300 1 1257 123 123 THR CA C 61.807 0.300 1 1258 123 123 THR CB C 70.584 0.300 1 1259 123 123 THR CG2 C 22.217 0.300 1 1260 123 123 THR N N 121.681 0.300 1 1261 124 124 ILE H H 9.675 0.030 1 1262 124 124 ILE HA H 4.325 0.030 1 1263 124 124 ILE HB H 1.773 0.030 1 1264 124 124 ILE HG12 H 1.015 0.030 2 1265 124 124 ILE HG13 H 1.259 0.030 2 1266 124 124 ILE HG2 H 0.926 0.030 1 1267 124 124 ILE HD1 H 0.540 0.030 1 1268 124 124 ILE C C 175.188 0.300 1 1269 124 124 ILE CA C 59.993 0.300 1 1270 124 124 ILE CB C 39.722 0.300 1 1271 124 124 ILE CG1 C 27.473 0.300 1 1272 124 124 ILE CG2 C 17.798 0.300 1 1273 124 124 ILE CD1 C 13.453 0.300 1 1274 124 124 ILE N N 130.203 0.300 1 1275 125 125 THR H H 8.529 0.030 1 1276 125 125 THR HA H 4.334 0.030 1 1277 125 125 THR HB H 4.303 0.030 1 1278 125 125 THR HG2 H 1.181 0.030 1 1279 125 125 THR C C 173.799 0.300 1 1280 125 125 THR CA C 61.747 0.300 1 1281 125 125 THR CB C 69.299 0.300 1 1282 125 125 THR CG2 C 21.851 0.300 1 1283 125 125 THR N N 120.270 0.300 1 1284 126 126 ASN H H 8.470 0.030 1 1285 126 126 ASN HA H 4.817 0.030 1 1286 126 126 ASN HB2 H 2.833 0.030 2 1287 126 126 ASN HB3 H 2.684 0.030 2 1288 126 126 ASN HD21 H 6.738 0.030 2 1289 126 126 ASN HD22 H 7.617 0.030 2 1290 126 126 ASN C C 174.793 0.300 1 1291 126 126 ASN CA C 52.718 0.300 1 1292 126 126 ASN CB C 39.029 0.300 1 1293 126 126 ASN N N 120.320 0.300 1 1294 126 126 ASN ND2 N 111.446 0.300 1 1295 127 127 ASP H H 8.305 0.030 1 1296 127 127 ASP HA H 4.587 0.030 1 1297 127 127 ASP HB2 H 2.703 0.030 2 1298 127 127 ASP HB3 H 2.598 0.030 2 1299 127 127 ASP C C 176.668 0.300 1 1300 127 127 ASP CA C 54.597 0.300 1 1301 127 127 ASP CB C 41.326 0.300 1 1302 127 127 ASP N N 120.705 0.300 1 1303 128 128 LYS H H 8.276 0.030 1 1304 128 128 LYS HA H 4.298 0.030 1 1305 128 128 LYS HB3 H 1.827 0.030 2 1306 128 128 LYS HG3 H 1.432 0.030 2 1307 128 128 LYS HE3 H 3.000 0.030 2 1308 128 128 LYS C C 177.199 0.300 1 1309 128 128 LYS CA C 57.093 0.300 1 1310 128 128 LYS CB C 32.830 0.300 1 1311 128 128 LYS CG C 24.658 0.300 1 1312 128 128 LYS CD C 29.426 0.300 1 1313 128 128 LYS CE C 42.249 0.300 1 1314 128 128 LYS N N 121.197 0.300 1 1315 129 129 GLY H H 8.580 0.030 1 1316 129 129 GLY HA2 H 3.819 0.030 2 1317 129 129 GLY HA3 H 3.912 0.030 2 1318 129 129 GLY C C 174.456 0.300 1 1319 129 129 GLY CA C 45.625 0.300 1 1320 129 129 GLY N N 109.452 0.300 1 1321 130 130 ARG H H 7.718 0.030 1 1322 130 130 ARG HA H 4.288 0.030 1 1323 130 130 ARG HB2 H 1.975 0.030 2 1324 130 130 ARG HB3 H 1.813 0.030 2 1325 130 130 ARG HG2 H 1.637 0.030 2 1326 130 130 ARG HG3 H 1.548 0.030 2 1327 130 130 ARG HD3 H 3.190 0.030 2 1328 130 130 ARG HE H 7.563 0.030 1 1329 130 130 ARG C C 176.702 0.300 1 1330 130 130 ARG CA C 54.683 0.300 1 1331 130 130 ARG CB C 30.440 0.300 1 1332 130 130 ARG CG C 27.144 0.300 1 1333 130 130 ARG CD C 42.462 0.300 1 1334 130 130 ARG N N 119.812 0.300 1 1335 130 130 ARG NE N 83.258 0.300 1 1336 131 131 LEU H H 8.430 0.030 1 1337 131 131 LEU HA H 4.478 0.030 1 1338 131 131 LEU HB2 H 1.645 0.030 2 1339 131 131 LEU HB3 H 1.385 0.030 2 1340 131 131 LEU HG H 0.853 0.030 1 1341 131 131 LEU HD1 H 0.820 0.030 2 1342 131 131 LEU C C 176.755 0.300 1 1343 131 131 LEU CA C 54.654 0.300 1 1344 131 131 LEU CB C 43.521 0.300 1 1345 131 131 LEU CG C 26.126 0.300 1 1346 131 131 LEU CD1 C 23.133 0.300 2 1347 131 131 LEU CD2 C 25.458 0.300 2 1348 131 131 LEU N N 121.130 0.300 1 1349 132 132 SER H H 8.726 0.030 1 1350 132 132 SER HA H 4.515 0.030 1 1351 132 132 SER HB2 H 4.391 0.030 2 1352 132 132 SER HB3 H 4.093 0.030 2 1353 132 132 SER C C 174.757 0.300 1 1354 132 132 SER CA C 56.950 0.300 1 1355 132 132 SER CB C 65.770 0.300 1 1356 132 132 SER N N 118.228 0.300 1 1357 133 133 LYS H H 8.912 0.030 1 1358 133 133 LYS HA H 3.985 0.030 1 1359 133 133 LYS HB2 H 1.938 0.030 2 1360 133 133 LYS HB3 H 1.820 0.030 2 1361 133 133 LYS HG2 H 1.532 0.030 2 1362 133 133 LYS HG3 H 1.441 0.030 2 1363 133 133 LYS C C 178.903 0.300 1 1364 133 133 LYS CA C 60.142 0.300 1 1365 133 133 LYS CB C 32.524 0.300 1 1366 133 133 LYS CG C 24.802 0.300 1 1367 133 133 LYS CD C 29.426 0.300 1 1368 133 133 LYS CE C 42.249 0.300 1 1369 133 133 LYS N N 121.589 0.300 1 1370 134 134 GLU H H 8.843 0.030 1 1371 134 134 GLU HA H 4.093 0.030 1 1372 134 134 GLU HB2 H 2.109 0.030 2 1373 134 134 GLU HB3 H 1.968 0.030 2 1374 134 134 GLU HG2 H 2.443 0.030 2 1375 134 134 GLU HG3 H 2.299 0.030 2 1376 134 134 GLU C C 179.425 0.300 1 1377 134 134 GLU CA C 60.269 0.300 1 1378 134 134 GLU CB C 29.129 0.300 1 1379 134 134 GLU CG C 37.070 0.300 1 1380 134 134 GLU N N 118.142 0.300 1 1381 135 135 GLU H H 7.812 0.030 1 1382 135 135 GLU HA H 4.178 0.030 1 1383 135 135 GLU HB3 H 2.042 0.030 2 1384 135 135 GLU C C 179.147 0.300 1 1385 135 135 GLU CA C 59.079 0.300 1 1386 135 135 GLU CB C 30.449 0.300 1 1387 135 135 GLU N N 121.761 0.300 1 1388 136 136 ILE H H 8.364 0.030 1 1389 136 136 ILE HA H 3.620 0.030 1 1390 136 136 ILE HB H 1.931 0.030 1 1391 136 136 ILE HG12 H 0.874 0.030 2 1392 136 136 ILE HG13 H 1.746 0.030 2 1393 136 136 ILE HG2 H 0.903 0.030 1 1394 136 136 ILE HD1 H 0.800 0.030 1 1395 136 136 ILE C C 177.586 0.300 1 1396 136 136 ILE CA C 66.056 0.300 1 1397 136 136 ILE CB C 38.201 0.300 1 1398 136 136 ILE CG1 C 29.818 0.300 1 1399 136 136 ILE CG2 C 17.042 0.300 1 1400 136 136 ILE CD1 C 13.806 0.300 1 1401 136 136 ILE N N 121.743 0.300 1 1402 137 137 GLU H H 8.070 0.030 1 1403 137 137 GLU HA H 3.973 0.030 1 1404 137 137 GLU HB2 H 2.117 0.030 2 1405 137 137 GLU HB3 H 2.043 0.030 2 1406 137 137 GLU HG2 H 2.431 0.030 2 1407 137 137 GLU HG3 H 2.266 0.030 2 1408 137 137 GLU C C 179.279 0.300 1 1409 137 137 GLU CA C 59.645 0.300 1 1410 137 137 GLU CB C 29.563 0.300 1 1411 137 137 GLU CG C 36.495 0.300 1 1412 137 137 GLU N N 117.741 0.300 1 1413 138 138 ARG H H 7.867 0.030 1 1414 138 138 ARG HA H 4.081 0.030 1 1415 138 138 ARG HB2 H 2.109 0.030 2 1416 138 138 ARG HB3 H 1.969 0.030 2 1417 138 138 ARG HG2 H 1.614 0.030 2 1418 138 138 ARG HG3 H 1.789 0.030 2 1419 138 138 ARG HD2 H 3.286 0.030 2 1420 138 138 ARG HD3 H 3.206 0.030 2 1421 138 138 ARG C C 178.844 0.300 1 1422 138 138 ARG CA C 59.740 0.300 1 1423 138 138 ARG CB C 29.249 0.300 1 1424 138 138 ARG CG C 27.374 0.300 1 1425 138 138 ARG CD C 43.299 0.300 1 1426 138 138 ARG N N 119.453 0.300 1 1427 139 139 MET H H 8.203 0.030 1 1428 139 139 MET HA H 4.142 0.030 1 1429 139 139 MET HB2 H 2.764 0.030 2 1430 139 139 MET HB3 H 2.620 0.030 2 1431 139 139 MET HG3 H 2.375 0.030 2 1432 139 139 MET HE H 2.309 0.030 1 1433 139 139 MET C C 179.438 0.300 1 1434 139 139 MET CA C 59.351 0.300 1 1435 139 139 MET CB C 32.796 0.300 1 1436 139 139 MET CG C 32.796 0.300 1 1437 139 139 MET CE C 17.767 0.300 1 1438 139 139 MET N N 119.890 0.300 1 1439 140 140 VAL H H 8.537 0.030 1 1440 140 140 VAL HA H 3.460 0.030 1 1441 140 140 VAL HB H 2.193 0.030 1 1442 140 140 VAL HG1 H 0.928 0.030 2 1443 140 140 VAL HG2 H 1.001 0.030 2 1444 140 140 VAL C C 178.850 0.300 1 1445 140 140 VAL CA C 67.304 0.300 1 1446 140 140 VAL CB C 31.939 0.300 1 1447 140 140 VAL CG1 C 20.976 0.300 2 1448 140 140 VAL CG2 C 22.792 0.300 2 1449 140 140 VAL N N 121.556 0.300 1 1450 141 141 GLN H H 8.289 0.030 1 1451 141 141 GLN HA H 4.129 0.030 1 1452 141 141 GLN HB2 H 2.261 0.030 2 1453 141 141 GLN HB3 H 2.162 0.030 2 1454 141 141 GLN HG2 H 2.602 0.030 2 1455 141 141 GLN HG3 H 2.464 0.030 2 1456 141 141 GLN HE21 H 6.829 0.030 2 1457 141 141 GLN HE22 H 7.549 0.030 2 1458 141 141 GLN C C 179.841 0.300 1 1459 141 141 GLN CA C 58.938 0.300 1 1460 141 141 GLN CB C 28.253 0.300 1 1461 141 141 GLN CG C 34.109 0.300 1 1462 141 141 GLN N N 119.499 0.300 1 1463 141 141 GLN NE2 N 111.616 0.300 1 1464 142 142 GLU H H 8.732 0.030 1 1465 142 142 GLU HA H 4.084 0.030 1 1466 142 142 GLU HB2 H 2.315 0.030 2 1467 142 142 GLU HB3 H 2.177 0.030 2 1468 142 142 GLU HG2 H 2.631 0.030 2 1469 142 142 GLU HG3 H 2.368 0.030 2 1470 142 142 GLU C C 178.013 0.300 1 1471 142 142 GLU CA C 59.781 0.300 1 1472 142 142 GLU CB C 30.080 0.300 1 1473 142 142 GLU CG C 37.780 0.300 1 1474 142 142 GLU N N 121.486 0.300 1 1475 143 143 ALA H H 7.944 0.030 1 1476 143 143 ALA HA H 3.985 0.030 1 1477 143 143 ALA HB H 1.492 0.030 1 1478 143 143 ALA C C 180.018 0.300 1 1479 143 143 ALA CA C 55.234 0.300 1 1480 143 143 ALA CB C 18.490 0.300 1 1481 143 143 ALA N N 119.887 0.300 1 1482 144 144 GLU H H 7.559 0.030 1 1483 144 144 GLU HA H 4.057 0.030 1 1484 144 144 GLU HB3 H 2.140 0.030 2 1485 144 144 GLU HG3 H 2.322 0.030 2 1486 144 144 GLU C C 179.113 0.300 1 1487 144 144 GLU CA C 58.941 0.300 1 1488 144 144 GLU CB C 29.364 0.300 1 1489 144 144 GLU CG C 35.989 0.300 1 1490 144 144 GLU N N 116.960 0.300 1 1491 145 145 LYS H H 7.968 0.030 1 1492 145 145 LYS HA H 3.912 0.030 1 1493 145 145 LYS HB2 H 1.721 0.030 2 1494 145 145 LYS HB3 H 1.605 0.030 2 1495 145 145 LYS HG2 H 0.655 0.030 2 1496 145 145 LYS HG3 H 1.160 0.030 2 1497 145 145 LYS HD3 H 1.515 0.030 2 1498 145 145 LYS HE3 H 2.813 0.030 2 1499 145 145 LYS C C 178.560 0.300 1 1500 145 145 LYS CA C 59.239 0.300 1 1501 145 145 LYS CB C 32.498 0.300 1 1502 145 145 LYS CG C 24.506 0.300 1 1503 145 145 LYS CD C 29.602 0.300 1 1504 145 145 LYS CE C 42.255 0.300 1 1505 145 145 LYS N N 121.296 0.300 1 1506 146 146 TYR H H 7.688 0.030 1 1507 146 146 TYR HA H 4.952 0.030 1 1508 146 146 TYR HB2 H 3.534 0.030 2 1509 146 146 TYR HB3 H 2.447 0.030 2 1510 146 146 TYR HD1 H 7.173 0.030 1 1511 146 146 TYR HD2 H 7.173 0.030 1 1512 146 146 TYR HE1 H 6.822 0.030 1 1513 146 146 TYR HE2 H 6.822 0.030 1 1514 146 146 TYR C C 175.108 0.300 1 1515 146 146 TYR CA C 57.774 0.300 1 1516 146 146 TYR CB C 37.898 0.300 1 1517 146 146 TYR CD1 C 133.457 0.300 1 1518 146 146 TYR CD2 C 133.457 0.300 1 1519 146 146 TYR CE1 C 117.681 0.300 1 1520 146 146 TYR CE2 C 117.681 0.300 1 1521 146 146 TYR N N 115.641 0.300 1 1522 147 147 LYS H H 7.096 0.030 1 1523 147 147 LYS HA H 4.202 0.030 1 1524 147 147 LYS HB2 H 2.164 0.030 2 1525 147 147 LYS HB3 H 1.899 0.030 2 1526 147 147 LYS HG3 H 1.517 0.030 2 1527 147 147 LYS HD3 H 1.772 0.030 2 1528 147 147 LYS HE3 H 3.007 0.030 2 1529 147 147 LYS C C 178.334 0.300 1 1530 147 147 LYS CA C 60.517 0.300 1 1531 147 147 LYS CB C 33.071 0.300 1 1532 147 147 LYS CG C 24.245 0.300 1 1533 147 147 LYS CD C 29.570 0.300 1 1534 147 147 LYS CE C 42.002 0.300 1 1535 147 147 LYS N N 121.721 0.300 1 1536 148 148 ALA H H 8.618 0.030 1 1537 148 148 ALA HA H 4.222 0.030 1 1538 148 148 ALA HB H 1.463 0.030 1 1539 148 148 ALA C C 180.761 0.300 1 1540 148 148 ALA CA C 55.367 0.300 1 1541 148 148 ALA CB C 18.013 0.300 1 1542 148 148 ALA N N 120.636 0.300 1 1543 149 149 GLU H H 8.614 0.030 1 1544 149 149 GLU HA H 4.093 0.030 1 1545 149 149 GLU HB2 H 2.240 0.030 2 1546 149 149 GLU HB3 H 2.120 0.030 2 1547 149 149 GLU HG2 H 2.384 0.030 2 1548 149 149 GLU HG3 H 2.511 0.030 2 1549 149 149 GLU C C 179.741 0.300 1 1550 149 149 GLU CA C 59.800 0.300 1 1551 149 149 GLU CB C 29.401 0.300 1 1552 149 149 GLU CG C 37.119 0.300 1 1553 149 149 GLU N N 120.045 0.300 1 1554 150 150 ASP H H 8.870 0.030 1 1555 150 150 ASP HA H 4.386 0.030 1 1556 150 150 ASP HB2 H 3.186 0.030 2 1557 150 150 ASP HB3 H 2.635 0.030 2 1558 150 150 ASP C C 178.174 0.300 1 1559 150 150 ASP CA C 57.072 0.300 1 1560 150 150 ASP CB C 40.263 0.300 1 1561 150 150 ASP N N 122.217 0.300 1 1562 151 151 GLU H H 8.259 0.030 1 1563 151 151 GLU HA H 4.081 0.030 1 1564 151 151 GLU HB2 H 2.217 0.030 2 1565 151 151 GLU HB3 H 2.116 0.030 2 1566 151 151 GLU HG2 H 2.452 0.030 2 1567 151 151 GLU HG3 H 2.355 0.030 2 1568 151 151 GLU C C 179.086 0.300 1 1569 151 151 GLU CA C 59.540 0.300 1 1570 151 151 GLU CB C 29.389 0.300 1 1571 151 151 GLU CG C 36.466 0.300 1 1572 151 151 GLU N N 120.142 0.300 1 1573 152 152 VAL H H 7.436 0.030 1 1574 152 152 VAL HA H 3.756 0.030 1 1575 152 152 VAL HB H 2.206 0.030 1 1576 152 152 VAL HG1 H 0.946 0.030 2 1577 152 152 VAL HG2 H 1.119 0.030 2 1578 152 152 VAL C C 178.907 0.300 1 1579 152 152 VAL CA C 65.938 0.300 1 1580 152 152 VAL CB C 31.892 0.300 1 1581 152 152 VAL CG1 C 21.089 0.300 2 1582 152 152 VAL CG2 C 22.617 0.300 2 1583 152 152 VAL N N 118.387 0.300 1 1584 153 153 GLN H H 7.571 0.030 1 1585 153 153 GLN HA H 4.033 0.030 1 1586 153 153 GLN HB2 H 2.259 0.030 2 1587 153 153 GLN HB3 H 2.134 0.030 2 1588 153 153 GLN HG2 H 2.544 0.030 2 1589 153 153 GLN HG3 H 2.447 0.030 2 1590 153 153 GLN HE21 H 7.331 0.030 2 1591 153 153 GLN HE22 H 6.967 0.030 2 1592 153 153 GLN C C 178.785 0.300 1 1593 153 153 GLN CA C 58.760 0.300 1 1594 153 153 GLN CB C 28.818 0.300 1 1595 153 153 GLN CG C 34.026 0.300 1 1596 153 153 GLN N N 117.674 0.300 1 1597 153 153 GLN NE2 N 112.334 0.300 1 1598 154 154 ARG H H 8.079 0.030 1 1599 154 154 ARG HA H 3.949 0.030 1 1600 154 154 ARG HB3 H 1.887 0.030 2 1601 154 154 ARG HD3 H 3.264 0.030 2 1602 154 154 ARG HE H 7.507 0.030 1 1603 154 154 ARG C C 178.419 0.300 1 1604 154 154 ARG CA C 59.343 0.300 1 1605 154 154 ARG CB C 30.467 0.300 1 1606 154 154 ARG CG C 27.524 0.300 1 1607 154 154 ARG CD C 43.442 0.300 1 1608 154 154 ARG N N 118.132 0.300 1 1609 154 154 ARG NE N 84.707 0.300 1 1610 155 155 GLU H H 7.829 0.030 1 1611 155 155 GLU HA H 4.154 0.030 1 1612 155 155 GLU HB3 H 2.112 0.030 2 1613 155 155 GLU HG3 H 2.407 0.030 2 1614 155 155 GLU C C 177.423 0.300 1 1615 155 155 GLU CA C 57.614 0.300 1 1616 155 155 GLU CB C 29.370 0.300 1 1617 155 155 GLU CG C 36.331 0.300 1 1618 155 155 GLU N N 117.121 0.300 1 1619 156 156 ARG H H 7.382 0.030 1 1620 156 156 ARG HA H 4.178 0.030 1 1621 156 156 ARG HB3 H 1.923 0.030 2 1622 156 156 ARG HG2 H 1.726 0.030 2 1623 156 156 ARG HG3 H 1.845 0.030 2 1624 156 156 ARG HD3 H 3.201 0.030 2 1625 156 156 ARG C C 176.564 0.300 1 1626 156 156 ARG CA C 57.574 0.300 1 1627 156 156 ARG CB C 30.784 0.300 1 1628 156 156 ARG CG C 27.497 0.300 1 1629 156 156 ARG CD C 43.521 0.300 1 1630 156 156 ARG N N 117.221 0.300 1 1631 157 157 VAL H H 7.410 0.030 1 1632 157 157 VAL HA H 4.081 0.030 1 1633 157 157 VAL HB H 2.096 0.030 1 1634 157 157 VAL HG1 H 0.935 0.030 2 1635 157 157 VAL HG2 H 0.947 0.030 2 1636 157 157 VAL C C 175.792 0.300 1 1637 157 157 VAL CA C 62.544 0.300 1 1638 157 157 VAL CB C 32.669 0.300 1 1639 157 157 VAL CG1 C 20.518 0.300 2 1640 157 157 VAL CG2 C 21.310 0.300 2 1641 157 157 VAL N N 119.005 0.300 1 1642 158 158 SER HA H 4.443 0.030 1 1643 158 158 SER HB3 H 3.858 0.030 2 1644 158 158 SER C C 174.769 0.300 1 1645 158 158 SER CA C 58.940 0.300 1 1646 158 158 SER CB C 63.798 0.300 1 1647 159 159 ALA H H 7.976 0.030 1 1648 159 159 ALA HA H 4.580 0.030 1 1649 159 159 ALA HB H 1.466 0.030 1 1650 159 159 ALA C C 177.362 0.300 1 1651 159 159 ALA CA C 52.056 0.300 1 1652 159 159 ALA CB C 18.966 0.300 1 1653 159 159 ALA N N 126.527 0.300 1 1654 160 160 LYS H H 8.427 0.030 1 1655 160 160 LYS HA H 4.298 0.030 1 1656 160 160 LYS HB3 H 1.839 0.030 2 1657 160 160 LYS HD3 H 1.680 0.030 2 1658 160 160 LYS HE3 H 3.000 0.030 2 1659 160 160 LYS C C 176.111 0.300 1 1660 160 160 LYS CA C 56.772 0.300 1 1661 160 160 LYS CB C 32.910 0.300 1 1662 160 160 LYS CG C 25.069 0.300 1 1663 160 160 LYS CD C 28.850 0.300 1 1664 160 160 LYS CE C 42.331 0.300 1 1665 160 160 LYS N N 121.686 0.300 1 1666 161 161 ASN H H 8.612 0.030 1 1667 161 161 ASN HA H 4.672 0.030 1 1668 161 161 ASN HB2 H 2.860 0.030 2 1669 161 161 ASN HB3 H 2.761 0.030 2 1670 161 161 ASN HD21 H 7.112 0.030 2 1671 161 161 ASN HD22 H 6.748 0.030 2 1672 161 161 ASN C C 173.054 0.300 1 1673 161 161 ASN CA C 52.927 0.300 1 1674 161 161 ASN CB C 37.876 0.300 1 1675 161 161 ASN N N 117.938 0.300 1 1676 161 161 ASN ND2 N 110.563 0.300 1 1677 162 162 ALA H H 8.000 0.030 1 1678 162 162 ALA HA H 4.756 0.030 1 1679 162 162 ALA HB H 1.361 0.030 1 1680 162 162 ALA C C 175.650 0.300 1 1681 162 162 ALA CA C 50.792 0.300 1 1682 162 162 ALA CB C 21.616 0.300 1 1683 162 162 ALA N N 121.409 0.300 1 1684 163 163 LEU H H 9.026 0.030 1 1685 163 163 LEU HA H 4.841 0.030 1 1686 163 163 LEU HG H 1.721 0.030 1 1687 163 163 LEU HD1 H 0.482 0.030 2 1688 163 163 LEU HD2 H 0.725 0.030 2 1689 163 163 LEU C C 177.326 0.300 1 1690 163 163 LEU CA C 52.839 0.300 1 1691 163 163 LEU CB C 44.511 0.300 1 1692 163 163 LEU CG C 26.897 0.300 1 1693 163 163 LEU CD1 C 25.636 0.300 2 1694 163 163 LEU CD2 C 24.325 0.300 2 1695 163 163 LEU N N 120.789 0.300 1 1696 164 164 GLU H H 8.800 0.030 1 1697 164 164 GLU C C 175.793 0.300 1 1698 164 164 GLU CA C 56.089 0.300 1 1699 164 164 GLU CB C 32.513 0.300 1 1700 164 164 GLU N N 122.064 0.300 1 1701 165 165 SER H H 8.813 0.030 1 1702 165 165 SER HA H 4.250 0.030 1 1703 165 165 SER HB2 H 3.911 0.030 2 1704 165 165 SER HB3 H 3.700 0.030 2 1705 165 165 SER C C 173.614 0.300 1 1706 165 165 SER CA C 58.096 0.300 1 1707 165 165 SER CB C 64.657 0.300 1 1708 165 165 SER N N 112.612 0.300 1 1709 166 166 TYR H H 7.485 0.030 1 1710 166 166 TYR HA H 4.606 0.030 1 1711 166 166 TYR HB2 H 2.905 0.030 1 1712 166 166 TYR HB3 H 2.905 0.030 1 1713 166 166 TYR HD1 H 6.986 0.030 1 1714 166 166 TYR HD2 H 6.986 0.030 1 1715 166 166 TYR HE1 H 6.737 0.030 1 1716 166 166 TYR HE2 H 6.737 0.030 1 1717 166 166 TYR C C 174.179 0.300 1 1718 166 166 TYR CA C 56.330 0.300 1 1719 166 166 TYR CB C 40.039 0.300 1 1720 166 166 TYR CD1 C 133.675 0.300 1 1721 166 166 TYR CD2 C 133.675 0.300 1 1722 166 166 TYR CE1 C 118.259 0.300 1 1723 166 166 TYR CE2 C 118.259 0.300 1 1724 166 166 TYR N N 118.949 0.300 1 1725 167 167 ALA H H 8.420 0.030 1 1726 167 167 ALA HA H 4.186 0.030 1 1727 167 167 ALA HB H 1.282 0.030 1 1728 167 167 ALA C C 177.000 0.300 1 1729 167 167 ALA CA C 52.189 0.300 1 1730 167 167 ALA CB C 19.362 0.300 1 1731 167 167 ALA N N 125.055 0.300 1 1732 168 168 PHE H H 8.671 0.030 1 1733 168 168 PHE HA H 4.290 0.030 1 1734 168 168 PHE HB2 H 3.071 0.030 2 1735 168 168 PHE HB3 H 2.828 0.030 2 1736 168 168 PHE HD1 H 7.216 0.030 1 1737 168 168 PHE HD2 H 7.216 0.030 1 1738 168 168 PHE HE1 H 7.303 0.030 1 1739 168 168 PHE HE2 H 7.303 0.030 1 1740 168 168 PHE HZ H 7.241 0.030 1 1741 168 168 PHE C C 176.128 0.300 1 1742 168 168 PHE CA C 59.880 0.300 1 1743 168 168 PHE CB C 39.577 0.300 1 1744 168 168 PHE CD1 C 131.771 0.300 1 1745 168 168 PHE CD2 C 131.771 0.300 1 1746 168 168 PHE CE1 C 131.681 0.300 1 1747 168 168 PHE CE2 C 131.681 0.300 1 1748 168 168 PHE CZ C 129.958 0.300 1 1749 168 168 PHE N N 123.325 0.300 1 1750 169 169 ASN H H 8.590 0.030 1 1751 169 169 ASN HA H 4.563 0.030 1 1752 169 169 ASN HB2 H 2.784 0.030 2 1753 169 169 ASN HB3 H 2.684 0.030 2 1754 169 169 ASN HD21 H 7.381 0.030 2 1755 169 169 ASN HD22 H 7.032 0.030 2 1756 169 169 ASN C C 174.993 0.300 1 1757 169 169 ASN CA C 53.253 0.300 1 1758 169 169 ASN CB C 38.724 0.300 1 1759 169 169 ASN N N 117.639 0.300 1 1760 169 169 ASN ND2 N 113.464 0.300 1 1761 170 170 MET H H 7.948 0.030 1 1762 170 170 MET HA H 4.394 0.030 1 1763 170 170 MET HB2 H 2.093 0.030 2 1764 170 170 MET HB3 H 1.954 0.030 2 1765 170 170 MET C C 176.034 0.300 1 1766 170 170 MET CA C 55.668 0.300 1 1767 170 170 MET CB C 32.995 0.300 1 1768 170 170 MET N N 120.311 0.300 1 1769 171 171 LYS H H 8.136 0.030 1 1770 171 171 LYS HA H 4.272 0.030 1 1771 171 171 LYS HB3 H 1.767 0.030 2 1772 171 171 LYS HG3 H 1.424 0.030 2 1773 171 171 LYS HD3 H 1.672 0.030 2 1774 171 171 LYS HE3 H 2.992 0.030 2 1775 171 171 LYS C C 176.566 0.300 1 1776 171 171 LYS CA C 56.671 0.300 1 1777 171 171 LYS CB C 33.031 0.300 1 1778 171 171 LYS CG C 24.987 0.300 1 1779 171 171 LYS CD C 29.261 0.300 1 1780 171 171 LYS CE C 42.167 0.300 1 1781 171 171 LYS N N 122.401 0.300 1 1782 172 172 SER H H 8.289 0.030 1 1783 172 172 SER HA H 4.383 0.030 1 1784 172 172 SER HB3 H 3.840 0.030 2 1785 172 172 SER C C 174.248 0.300 1 1786 172 172 SER CA C 58.418 0.300 1 1787 172 172 SER CB C 64.007 0.300 1 1788 172 172 SER N N 117.249 0.300 1 1789 173 173 ALA H H 8.319 0.030 1 1790 173 173 ALA HA H 4.349 0.030 1 1791 173 173 ALA HB H 1.393 0.030 1 1792 173 173 ALA C C 177.834 0.300 1 1793 173 173 ALA CA C 52.678 0.300 1 1794 173 173 ALA CB C 19.376 0.300 1 1795 173 173 ALA N N 126.241 0.300 1 1796 174 174 VAL H H 8.037 0.030 1 1797 174 174 VAL HA H 4.069 0.030 1 1798 174 174 VAL HB H 2.061 0.030 1 1799 174 174 VAL HG1 H 0.923 0.030 2 1800 174 174 VAL C C 176.474 0.300 1 1801 174 174 VAL CA C 62.576 0.300 1 1802 174 174 VAL CB C 32.684 0.300 1 1803 174 174 VAL CG1 C 20.862 0.300 2 1804 174 174 VAL N N 118.668 0.300 1 1805 175 175 GLU H H 8.416 0.030 1 1806 175 175 GLU HA H 4.274 0.030 1 1807 175 175 GLU HB3 H 2.008 0.030 2 1808 175 175 GLU HG3 H 2.241 0.030 2 1809 175 175 GLU C C 176.244 0.300 1 1810 175 175 GLU CA C 56.773 0.300 1 1811 175 175 GLU CB C 30.170 0.300 1 1812 175 175 GLU CG C 36.331 0.300 1 1813 175 175 GLU N N 124.163 0.300 1 1814 176 176 ASP H H 8.281 0.030 1 1815 176 176 ASP HA H 4.587 0.030 1 1816 176 176 ASP HB2 H 2.720 0.030 2 1817 176 176 ASP HB3 H 2.588 0.030 2 1818 176 176 ASP C C 176.786 0.300 1 1819 176 176 ASP CA C 54.564 0.300 1 1820 176 176 ASP CB C 41.439 0.300 1 1821 176 176 ASP N N 121.554 0.300 1 1822 177 177 GLU H H 8.512 0.030 1 1823 177 177 GLU HA H 4.190 0.030 1 1824 177 177 GLU HB3 H 2.056 0.030 2 1825 177 177 GLU C C 177.618 0.300 1 1826 177 177 GLU CA C 57.614 0.300 1 1827 177 177 GLU CB C 29.994 0.300 1 1828 177 177 GLU CG C 36.495 0.300 1 1829 177 177 GLU N N 122.758 0.300 1 1830 178 178 GLY H H 8.511 0.030 1 1831 178 178 GLY HA3 H 3.912 0.030 2 1832 178 178 GLY C C 174.683 0.300 1 1833 178 178 GLY CA C 45.776 0.300 1 1834 178 178 GLY N N 108.763 0.300 1 1835 179 179 LEU H H 7.962 0.030 1 1836 179 179 LEU HA H 4.322 0.030 1 1837 179 179 LEU HB2 H 1.663 0.030 2 1838 179 179 LEU HB3 H 1.597 0.030 2 1839 179 179 LEU HD1 H 0.926 0.030 2 1840 179 179 LEU HD2 H 0.855 0.030 2 1841 179 179 LEU C C 177.875 0.300 1 1842 179 179 LEU CA C 55.487 0.300 1 1843 179 179 LEU CB C 42.282 0.300 1 1844 179 179 LEU CG C 26.754 0.300 1 1845 179 179 LEU CD1 C 24.865 0.300 2 1846 179 179 LEU CD2 C 23.516 0.300 2 1847 179 179 LEU N N 121.196 0.300 1 1848 180 180 LYS H H 8.136 0.030 1 1849 180 180 LYS HA H 4.262 0.030 1 1850 180 180 LYS HB3 H 1.827 0.030 2 1851 180 180 LYS HG3 H 1.441 0.030 2 1852 180 180 LYS HD3 H 1.672 0.030 2 1853 180 180 LYS HE3 H 3.008 0.030 2 1854 180 180 LYS C C 177.246 0.300 1 1855 180 180 LYS CA C 56.772 0.300 1 1856 180 180 LYS CB C 32.764 0.300 1 1857 180 180 LYS CG C 24.987 0.300 1 1858 180 180 LYS CD C 29.261 0.300 1 1859 180 180 LYS CE C 42.249 0.300 1 1860 180 180 LYS N N 121.101 0.300 1 1861 181 181 GLY H H 8.315 0.030 1 1862 181 181 GLY HA3 H 3.924 0.030 2 1863 181 181 GLY C C 173.852 0.300 1 1864 181 181 GLY CA C 45.284 0.300 1 1865 181 181 GLY N N 109.409 0.300 1 1866 182 182 LYS H H 8.068 0.030 1 1867 182 182 LYS HA H 4.358 0.030 1 1868 182 182 LYS HB3 H 1.803 0.030 2 1869 182 182 LYS HG3 H 1.408 0.030 2 1870 182 182 LYS HD2 H 1.688 0.030 2 1871 182 182 LYS HD3 H 1.412 0.030 2 1872 182 182 LYS HE3 H 2.728 0.030 2 1873 182 182 LYS C C 176.599 0.300 1 1874 182 182 LYS CA C 56.189 0.300 1 1875 182 182 LYS CB C 32.981 0.300 1 1876 182 182 LYS CG C 24.741 0.300 1 1877 182 182 LYS CD C 29.535 0.300 1 1878 182 182 LYS CE C 42.167 0.300 1 1879 182 182 LYS N N 120.940 0.300 1 1880 183 183 ILE H H 8.257 0.030 1 1881 183 183 ILE HA H 4.226 0.030 1 1882 183 183 ILE HB H 1.884 0.030 1 1883 183 183 ILE HG12 H 1.484 0.030 2 1884 183 183 ILE HG13 H 1.196 0.030 2 1885 183 183 ILE HG2 H 0.921 0.030 1 1886 183 183 ILE HD1 H 0.855 0.030 1 1887 183 183 ILE C C 176.162 0.300 1 1888 183 183 ILE CA C 61.145 0.300 1 1889 183 183 ILE CB C 38.868 0.300 1 1890 183 183 ILE CG1 C 27.371 0.300 1 1891 183 183 ILE CG2 C 17.492 0.300 1 1892 183 183 ILE CD1 C 12.985 0.300 1 1893 183 183 ILE N N 122.529 0.300 1 1894 184 184 SER H H 8.361 0.030 1 1895 184 184 SER HA H 4.503 0.030 1 1896 184 184 SER HB3 H 3.858 0.030 2 1897 184 184 SER C C 173.425 0.300 1 1898 184 184 SER CA C 58.195 0.300 1 1899 184 184 SER CB C 64.168 0.300 1 1900 184 184 SER N N 120.323 0.300 1 1901 185 185 GLU H H 8.074 0.030 1 1902 185 185 GLU HA H 4.485 0.030 1 1903 185 185 GLU C C 181.132 0.300 1 1904 185 185 GLU CA C 58.217 0.300 1 1905 185 185 GLU CB C 31.228 0.300 1 1906 185 185 GLU N N 128.249 0.300 1 stop_ save_