data_15590 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Merozoite surface protein 2 in 10 mM HOAc ; _BMRB_accession_number 15590 _BMRB_flat_file_name bmr15590.str _Entry_type original _Submission_date 2007-12-11 _Accession_date 2007-12-11 _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 Perugini Matthew A. . 2 Yao Shenggen . . 3 Adda Christopher G. . 4 Murphy Vicent J. . 5 Low Andrew . . 6 Anders Robin F. . 7 Norton Raymond S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 437 "13C chemical shifts" 615 "15N chemical shifts" 204 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-05-29 original author . stop_ _Original_release_date 2008-05-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Conformation, backbone dynamics and lipid interactions of the intrinsically unstructured malaria surface protein MSP2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18440022 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Xuecheng . . 2 Perugini Matthew A. . 3 Yao Shenggen . . 4 Adda Christopher G. . 5 Murphy Vicent J. . 6 Low Andrew . . 7 Anders Robin F. . 8 Norton Raymond S. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 379 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 105 _Page_last 121 _Year 2008 _Details . loop_ _Keyword 'Backbone dynamics' 'Intrinsically unstructured protein' 'Lipid interactions' 'Merozoite surface protein 2' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MSP2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MSP2 $MSP2 stop_ _System_molecular_weight 22935.79 _System_physical_state unfolded _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MSP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MSP2 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 222 _Mol_residue_sequence ; MIKNESKYSNTFINNAYNMS IRRSMANEGSNTNSVGANAP NADTIASGSQRSTNSASTST TNNGESQTTTPTAADTIASG SQRSTNSASTSTTNNGESQT TTPTAADTPTATESNSPSPP ITTTESSSSGNAPNKTDGKG EESEKQNELNESTEEGPRAP QEPQTAENENPAAPENKGTG QHGHMHGSRNNHPQNTSDSQ KECTDGNKENCGAATSLLSN SS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 1 ILE 3 2 LYS 4 3 ASN 5 4 GLU 6 5 SER 7 6 LYS 8 7 TYR 9 8 SER 10 9 ASN 11 10 THR 12 11 PHE 13 12 ILE 14 13 ASN 15 14 ASN 16 15 ALA 17 16 TYR 18 17 ASN 19 18 MET 20 19 SER 21 20 ILE 22 21 ARG 23 22 ARG 24 23 SER 25 24 MET 26 25 ALA 27 26 ASN 28 27 GLU 29 28 GLY 30 29 SER 31 30 ASN 32 31 THR 33 32 ASN 34 33 SER 35 34 VAL 36 35 GLY 37 36 ALA 38 37 ASN 39 38 ALA 40 39 PRO 41 40 ASN 42 41 ALA 43 42 ASP 44 43 THR 45 44 ILE 46 45 ALA 47 46 SER 48 47 GLY 49 48 SER 50 49 GLN 51 50 ARG 52 51 SER 53 52 THR 54 53 ASN 55 54 SER 56 55 ALA 57 56 SER 58 57 THR 59 58 SER 60 59 THR 61 60 THR 62 61 ASN 63 62 ASN 64 63 GLY 65 64 GLU 66 65 SER 67 66 GLN 68 67 THR 69 68 THR 70 69 THR 71 70 PRO 72 71 THR 73 72 ALA 74 73 ALA 75 74 ASP 76 75 THR 77 76 ILE 78 77 ALA 79 78 SER 80 79 GLY 81 80 SER 82 81 GLN 83 82 ARG 84 83 SER 85 84 THR 86 85 ASN 87 86 SER 88 87 ALA 89 88 SER 90 89 THR 91 90 SER 92 91 THR 93 92 THR 94 93 ASN 95 94 ASN 96 95 GLY 97 96 GLU 98 97 SER 99 98 GLN 100 99 THR 101 100 THR 102 101 THR 103 102 PRO 104 103 THR 105 104 ALA 106 105 ALA 107 106 ASP 108 107 THR 109 108 PRO 110 109 THR 111 110 ALA 112 111 THR 113 112 GLU 114 113 SER 115 114 ASN 116 115 SER 117 116 PRO 118 117 SER 119 118 PRO 120 119 PRO 121 120 ILE 122 121 THR 123 122 THR 124 123 THR 125 124 GLU 126 125 SER 127 126 SER 128 127 SER 129 128 SER 130 129 GLY 131 130 ASN 132 131 ALA 133 132 PRO 134 133 ASN 135 134 LYS 136 135 THR 137 136 ASP 138 137 GLY 139 138 LYS 140 139 GLY 141 140 GLU 142 141 GLU 143 142 SER 144 143 GLU 145 144 LYS 146 145 GLN 147 146 ASN 148 147 GLU 149 148 LEU 150 149 ASN 151 150 GLU 152 151 SER 153 152 THR 154 153 GLU 155 154 GLU 156 155 GLY 157 156 PRO 158 157 ARG 159 158 ALA 160 159 PRO 161 160 GLN 162 161 GLU 163 162 PRO 164 163 GLN 165 164 THR 166 165 ALA 167 166 GLU 168 167 ASN 169 168 GLU 170 169 ASN 171 170 PRO 172 171 ALA 173 172 ALA 174 173 PRO 175 174 GLU 176 175 ASN 177 176 LYS 178 177 GLY 179 178 THR 180 179 GLY 181 180 GLN 182 181 HIS 183 182 GLY 184 183 HIS 185 184 MET 186 185 HIS 187 186 GLY 188 187 SER 189 188 ARG 190 189 ASN 191 190 ASN 192 191 HIS 193 192 PRO 194 193 GLN 195 194 ASN 196 195 THR 197 196 SER 198 197 ASP 199 198 SER 200 199 GLN 201 200 LYS 202 201 GLU 203 202 CYS 204 203 THR 205 204 ASP 206 205 GLY 207 206 ASN 208 207 LYS 209 208 GLU 210 209 ASN 211 210 CYS 212 211 GLY 213 212 ALA 214 213 ALA 215 214 THR 216 215 SER 217 216 LEU 218 217 LEU 219 218 SER 220 219 ASN 221 220 SER 222 221 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 EMBL CAA70441 "merozoite surface antigen 2 [Plasmodium falciparum]" 50.90 135 99.12 99.12 3.33e-64 GB AAC02228 "merozoite surface protein 2, partial [Plasmodium falciparum]" 59.01 131 100.00 100.00 6.71e-77 GB AAC37199 "merozoite surface antigen 2, partial [Plasmodium falciparum]" 72.52 161 99.38 100.00 1.57e-98 GB AAC38836 "merozoite surface protein 2, partial [Plasmodium falciparum]" 65.77 199 99.32 100.00 3.94e-61 GB AAF25441 "membrane protein Pf7 [Plasmodium falciparum]" 99.55 264 97.29 98.19 7.81e-145 GB AAG47593 "merozoite surface protein, partial [Plasmodium falciparum]" 63.06 145 97.14 97.14 1.10e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MSP2 'Plasmodium falciparum' 5833 Eukaryota . Plasmodium falciparum 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 $MSP2 'recombinant technology' . Escherichia coli . pQE9 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 $MSP2 0.44 mM '[U-98% 13C; U-98% 15N]' 'acetic acid' 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % '[U-100% 2H]' H2O 95 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MSP2 0.35 mM '[U-98% 15N]' 'acetic acid' 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % '[U-100% 2H]' H2O 95 % . stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _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_2 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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' 10 . mM pH 3.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details Dioxane 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 dioxane C 13 'methyl protons' ppm 3.751 internal indirect . . . 0.251449530 dioxane H 1 'methyl protons' ppm 3.751 internal direct . . . 1.000000000 dioxane N 15 'methyl protons' ppm 3.751 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCO' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name MSP2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -1 1 MET C C 172.386 0.5 1 2 -1 1 MET CA C 55.291 0.5 1 3 -1 1 MET CB C 33.124 0.5 1 4 1 2 ILE H H 8.613 0.02 1 5 1 2 ILE HA H 4.184 0.02 1 6 1 2 ILE CA C 61.481 0.5 1 7 1 2 ILE CB C 39.01 0.5 1 8 1 2 ILE N N 124.404 0.5 1 9 2 3 LYS H H 8.508 0.02 1 10 2 3 LYS HA H 4.279 0.02 1 11 2 3 LYS CA C 56.628 0.5 1 12 2 3 LYS CB C 33.391 0.5 1 13 2 3 LYS N N 126.695 0.5 1 14 3 4 ASN H H 8.641 0.02 1 15 3 4 ASN HA H 4.632 0.02 1 16 3 4 ASN C C 175.443 0.5 1 17 3 4 ASN CA C 53.609 0.5 1 18 3 4 ASN CB C 38.961 0.5 1 19 3 4 ASN N N 121.412 0.5 1 20 4 5 GLU H H 8.456 0.02 1 21 4 5 GLU HA H 4.357 0.02 1 22 4 5 GLU C C 176.605 0.5 1 23 4 5 GLU CA C 56.245 0.5 1 24 4 5 GLU CB C 29.557 0.5 1 25 4 5 GLU N N 121.61 0.5 1 26 5 6 SER H H 8.386 0.02 1 27 5 6 SER HA H 4.425 0.02 1 28 5 6 SER CA C 58.691 0.5 1 29 5 6 SER CB C 63.98 0.5 1 30 5 6 SER N N 116.881 0.5 1 31 6 7 LYS HA H 4.196 0.02 1 32 6 7 LYS CA C 56.934 0.5 1 33 6 7 LYS CB C 32.946 0.5 1 34 7 8 TYR H H 8.102 0.02 1 35 7 8 TYR HA H 4.598 0.02 1 36 7 8 TYR C C 176.185 0.5 1 37 7 8 TYR CA C 57.965 0.5 1 38 7 8 TYR CB C 39.01 0.5 1 39 7 8 TYR N N 120.279 0.5 1 40 8 9 SER H H 8.111 0.02 1 41 8 9 SER HA H 4.391 0.02 1 42 8 9 SER C C 174.709 0.5 1 43 8 9 SER CA C 58.52 0.5 1 44 8 9 SER CB C 64.158 0.5 1 45 8 9 SER N N 117.138 0.5 1 46 9 10 ASN H H 8.443 0.02 1 47 9 10 ASN HA H 4.724 0.02 1 48 9 10 ASN C C 175.703 0.5 1 49 9 10 ASN CA C 53.74 0.5 1 50 9 10 ASN CB C 39.01 0.5 1 51 9 10 ASN N N 120.971 0.5 1 52 10 11 THR H H 8.028 0.02 1 53 10 11 THR HA H 4.207 0.02 1 54 10 11 THR C C 174.572 0.5 1 55 10 11 THR CA C 62.627 0.5 1 56 10 11 THR CB C 69.776 0.5 1 57 10 11 THR N N 114.038 0.5 1 58 11 12 PHE H H 8.168 0.02 1 59 11 12 PHE HA H 4.575 0.02 1 60 11 12 PHE C C 175.986 0.5 1 61 11 12 PHE CA C 58.347 0.5 1 62 11 12 PHE CB C 39.545 0.5 1 63 11 12 PHE N N 122.648 0.5 1 64 12 13 ILE H H 7.964 0.02 1 65 12 13 ILE HA H 4.035 0.02 1 66 12 13 ILE C C 175.948 0.5 1 67 12 13 ILE CA C 61.443 0.5 1 68 12 13 ILE CB C 39.01 0.5 1 69 12 13 ILE N N 122.53 0.5 1 70 13 14 ASN H H 8.352 0.02 1 71 13 14 ASN HA H 4.621 0.02 1 72 13 14 ASN C C 175.397 0.5 1 73 13 14 ASN CA C 53.571 0.5 1 74 13 14 ASN CB C 38.921 0.5 1 75 13 14 ASN N N 122.409 0.5 1 76 14 15 ASN H H 8.332 0.02 1 77 14 15 ASN HA H 4.609 0.02 1 78 14 15 ASN C C 175.55 0.5 1 79 14 15 ASN CA C 53.877 0.5 1 80 14 15 ASN CB C 39.01 0.5 1 81 14 15 ASN N N 120.029 0.5 1 82 15 16 ALA H H 8.19 0.02 1 83 15 16 ALA HA H 4.173 0.02 1 84 15 16 ALA C C 178.431 0.5 1 85 15 16 ALA CA C 53.704 0.5 1 86 15 16 ALA CB C 18.995 0.5 1 87 15 16 ALA N N 123.303 0.5 1 88 16 17 TYR H H 8.062 0.02 1 89 16 17 TYR HA H 4.414 0.02 1 90 16 17 TYR C C 176.452 0.5 1 91 16 17 TYR CA C 58.921 0.5 1 92 16 17 TYR CB C 38.653 0.5 1 93 16 17 TYR N N 118.844 0.5 1 94 17 18 ASN H H 8.182 0.02 1 95 17 18 ASN HA H 4.529 0.02 1 96 17 18 ASN C C 176.055 0.5 1 97 17 18 ASN CA C 54.03 0.5 1 98 17 18 ASN CB C 38.742 0.5 1 99 17 18 ASN N N 119.67 0.5 1 100 18 19 MET H H 8.217 0.02 1 101 18 19 MET HA H 4.38 0.02 1 102 18 19 MET C C 177.095 0.5 1 103 18 19 MET CA C 56.57 0.5 1 104 18 19 MET CB C 32.68 0.5 1 105 18 19 MET N N 120.215 0.5 1 106 19 20 SER H H 8.198 0.02 1 107 19 20 SER HA H 4.345 0.02 1 108 19 20 SER C C 175.26 0.5 1 109 19 20 SER CA C 59.608 0.5 1 110 19 20 SER CB C 63.762 0.5 1 111 19 20 SER N N 116.314 0.5 1 112 20 21 ILE H H 7.829 0.02 1 113 20 21 ILE HA H 4.104 0.02 1 114 20 21 ILE C C 176.789 0.5 1 115 20 21 ILE CA C 61.901 0.5 1 116 20 21 ILE CB C 38.56 0.5 1 117 20 21 ILE N N 121.639 0.5 1 118 21 22 ARG H H 8.186 0.02 1 119 21 22 ARG HA H 4.265 0.02 1 120 21 22 ARG C C 176.842 0.5 1 121 21 22 ARG CA C 56.781 0.5 1 122 21 22 ARG CB C 30.716 0.5 1 123 21 22 ARG N N 124.1 0.5 1 124 22 23 ARG H H 8.283 0.02 1 125 22 23 ARG HA H 4.311 0.02 1 126 22 23 ARG C C 176.789 0.5 1 127 22 23 ARG CA C 56.781 0.5 1 128 22 23 ARG CB C 30.984 0.5 1 129 22 23 ARG N N 122.149 0.5 1 130 23 24 SER H H 8.294 0.02 1 131 23 24 SER HA H 4.414 0.02 1 132 23 24 SER C C 175.092 0.5 1 133 23 24 SER CA C 58.844 0.5 1 134 23 24 SER CB C 63.93 0.5 1 135 23 24 SER N N 116.67 0.5 1 136 24 25 MET H H 8.34 0.02 1 137 24 25 MET HA H 4.46 0.02 1 138 24 25 MET C C 176.483 0.5 1 139 24 25 MET CA C 55.864 0.5 1 140 24 25 MET CB C 32.99 0.5 1 141 24 25 MET N N 122.163 0.5 1 142 25 26 ALA H H 8.199 0.02 1 143 25 26 ALA HA H 4.265 0.02 1 144 25 26 ALA C C 177.843 0.5 1 145 25 26 ALA CA C 53.112 0.5 1 146 25 26 ALA CB C 19.345 0.5 1 147 25 26 ALA N N 124.24 0.5 1 148 26 27 ASN H H 8.354 0.02 1 149 26 27 ASN HA H 4.655 0.02 1 150 26 27 ASN C C 175.627 0.5 1 151 26 27 ASN CA C 53.57 0.5 1 152 26 27 ASN CB C 38.961 0.5 1 153 26 27 ASN N N 117.312 0.5 1 154 27 28 GLU H H 8.283 0.02 1 155 27 28 GLU HA H 4.345 0.02 1 156 27 28 GLU C C 176.919 0.5 1 157 27 28 GLU CA C 56.531 0.5 1 158 27 28 GLU CB C 29.111 0.5 1 159 27 28 GLU N N 120.543 0.5 1 160 28 29 GLY H H 8.441 0.02 1 161 28 29 GLY HA2 H 3.978 0.02 2 162 28 29 GLY HA3 H 3.978 0.02 2 163 28 29 GLY C C 174.534 0.5 1 164 28 29 GLY CA C 45.643 0.5 1 165 28 29 GLY N N 109.695 0.5 1 166 29 30 SER H H 8.222 0.02 1 167 29 30 SER HA H 4.46 0.02 1 168 29 30 SER C C 174.778 0.5 1 169 29 30 SER CA C 58.595 0.5 1 170 29 30 SER CB C 64.069 0.5 1 171 29 30 SER N N 115.451 0.5 1 172 30 31 ASN H H 8.547 0.02 1 173 30 31 ASN HA H 4.655 0.02 1 174 30 31 ASN C C 175.879 0.5 1 175 30 31 ASN CA C 53.595 0.5 1 176 30 31 ASN CB C 39.01 0.5 1 177 30 31 ASN N N 120.848 0.5 1 178 31 32 THR H H 8.153 0.02 1 179 31 32 THR HA H 4.288 0.02 1 180 31 32 THR C C 174.679 0.5 1 181 31 32 THR CA C 62.398 0.5 1 182 31 32 THR CB C 69.776 0.5 1 183 31 32 THR N N 113.983 0.5 1 184 32 33 ASN H H 8.451 0.02 1 185 32 33 ASN HA H 4.735 0.02 1 186 32 33 ASN C C 175.558 0.5 1 187 32 33 ASN CA C 53.609 0.5 1 188 32 33 ASN CB C 39.099 0.5 1 189 32 33 ASN N N 120.725 0.5 1 190 33 34 SER H H 8.261 0.02 1 191 33 34 SER HA H 4.46 0.02 1 192 33 34 SER C C 174.908 0.5 1 193 33 34 SER CA C 58.71 0.5 1 194 33 34 SER CB C 64.069 0.5 1 195 33 34 SER N N 116.342 0.5 1 196 34 35 VAL H H 8.146 0.02 1 197 34 35 VAL HA H 4.127 0.02 1 198 34 35 VAL C C 177.095 0.5 1 199 34 35 VAL CA C 62.856 0.5 1 200 34 35 VAL CB C 32.767 0.5 1 201 34 35 VAL N N 121.428 0.5 1 202 35 36 GLY H H 8.437 0.02 1 203 35 36 GLY HA2 H 3.92 0.02 2 204 35 36 GLY HA3 H 3.92 0.02 2 205 35 36 GLY C C 174.289 0.5 1 206 35 36 GLY CA C 45.508 0.5 1 207 35 36 GLY N N 112.357 0.5 1 208 36 37 ALA H H 8.173 0.02 1 209 36 37 ALA HA H 4.265 0.02 1 210 36 37 ALA C C 177.85 0.5 1 211 36 37 ALA CA C 52.845 0.5 1 212 36 37 ALA CB C 19.48 0.5 1 213 36 37 ALA N N 123.7 0.5 1 214 37 38 ASN H H 8.378 0.02 1 215 37 38 ASN HA H 4.655 0.02 1 216 37 38 ASN C C 174.794 0.5 1 217 37 38 ASN CA C 53.213 0.5 1 218 37 38 ASN CB C 39.158 0.5 1 219 37 38 ASN N N 117.356 0.5 1 220 38 39 ALA H H 8.12 0.02 1 221 38 39 ALA HA H 4.552 0.02 1 222 38 39 ALA CA C 50.934 0.5 1 223 38 39 ALA CB C 18.409 0.5 1 224 38 39 ALA N N 125.272 0.5 1 225 39 40 PRO HA H 4.391 0.02 1 226 39 40 PRO C C 177.102 0.5 1 227 39 40 PRO CA C 63.544 0.5 1 228 39 40 PRO CB C 32.143 0.5 1 229 40 41 ASN H H 8.464 0.02 1 230 40 41 ASN HA H 4.621 0.02 1 231 40 41 ASN C C 175.535 0.5 1 232 40 41 ASN CA C 53.456 0.5 1 233 40 41 ASN CB C 39.01 0.5 1 234 40 41 ASN N N 118.453 0.5 1 235 41 42 ALA H H 8.296 0.02 1 236 41 42 ALA HA H 4.253 0.02 1 237 41 42 ALA C C 178.042 0.5 1 238 41 42 ALA CA C 53.322 0.5 1 239 41 42 ALA CB C 19.48 0.5 1 240 41 42 ALA N N 124.404 0.5 1 241 42 43 ASP H H 8.449 0.02 1 242 42 43 ASP HA H 4.678 0.02 1 243 42 43 ASP C C 176.047 0.5 1 244 42 43 ASP CA C 53.84 0.5 1 245 42 43 ASP CB C 39.01 0.5 1 246 42 43 ASP N N 117.842 0.5 1 247 43/75 44 THR H H 8.032 0.02 5 248 43/75 44 THR HA H 4.276 0.02 5 249 43/75 44 THR C C 175 0.5 5 250 43/75 44 THR CA C 62.513 0.5 5 251 43/75 44 THR CB C 69.91 0.5 5 252 43/75 44 THR N N 114.49 0.5 5 253 44/76 45 ILE H H 8.081 0.02 5 254 44/76 45 ILE HA H 4.116 0.02 5 255 44/76 45 ILE C C 176.529 0.5 5 256 44/76 45 ILE CA C 61.653 0.5 5 257 44/76 45 ILE CB C 38.795 0.5 5 258 44/76 45 ILE N N 123.205 0.5 5 259 45/77 46 ALA H H 8.38 0.02 5 260 45/77 46 ALA HA H 4.334 0.02 5 261 45/77 46 ALA C C 178.225 0.5 5 262 45/77 46 ALA CA C 52.901 0.5 5 263 45/77 46 ALA CB C 19.252 0.5 5 264 45/77 46 ALA N N 128.076 0.5 5 265 46 47 SER H H 8.273 0.02 1 266 46 47 SER HA H 4.391 0.02 1 267 46 47 SER C C 175.677 0.5 1 268 46 47 SER CA C 58.998 0.5 1 269 46 47 SER CB C 64.025 0.5 1 270 46 47 SER N N 115.427 0.5 1 271 47 48 GLY H H 8.425 0.02 1 272 47 48 GLY HA2 H 4.007 0.02 2 273 47 48 GLY HA3 H 4.007 0.02 2 274 47 48 GLY C C 174.668 0.5 1 275 47 48 GLY CA C 45.814 0.5 1 276 47 48 GLY N N 110.871 0.5 1 277 48 49 SER H H 8.202 0.02 1 278 48 49 SER HA H 4.431 0.02 1 279 48 49 SER C C 175.004 0.5 1 280 48 49 SER CA C 58.917 0.5 1 281 48 49 SER CB C 64.034 0.5 1 282 48 49 SER N N 115.547 0.5 1 283 49 50 GLN H H 8.418 0.02 1 284 49 50 GLN HA H 4.345 0.02 1 285 49 50 GLN C C 176.296 0.5 1 286 49 50 GLN CA C 56.265 0.5 1 287 49 50 GLN CB C 29.468 0.5 1 288 49 50 GLN N N 122.035 0.5 1 289 50 51 ARG H H 8.345 0.02 1 290 50 51 ARG HA H 4.345 0.02 1 291 50 51 ARG C C 176.686 0.5 1 292 50 51 ARG CA C 56.371 0.5 1 293 50 51 ARG CB C 31.073 0.5 1 294 50 51 ARG N N 122.141 0.5 1 295 51 52 SER H H 8.425 0.02 1 296 51 52 SER HA H 4.494 0.02 1 297 51 52 SER C C 175.233 0.5 1 298 51 52 SER CA C 58.75 0.5 1 299 51 52 SER CB C 64.069 0.5 1 300 51 52 SER N N 117.235 0.5 1 301 52 53 THR H H 8.266 0.02 1 302 52 53 THR HA H 4.34 0.02 1 303 52 53 THR C C 174.561 0.5 1 304 52 53 THR CA C 62.225 0.5 1 305 52 53 THR CB C 69.866 0.5 1 306 52 53 THR N N 115.692 0.5 1 307 53 54 ASN H H 8.443 0.02 1 308 53 54 ASN HA H 4.764 0.02 1 309 53 54 ASN C C 175.65 0.5 1 310 53 54 ASN CA C 53.543 0.5 1 311 53 54 ASN CB C 39.099 0.5 1 312 53 54 ASN N N 120.769 0.5 1 313 54 55 SER H H 8.323 0.02 1 314 54 55 SER HA H 4.397 0.02 1 315 54 55 SER C C 174.645 0.5 1 316 54 55 SER CA C 58.863 0.5 1 317 54 55 SER CB C 63.98 0.5 1 318 54 55 SER N N 116.763 0.5 1 319 55 56 ALA H H 8.361 0.02 1 320 55 56 ALA HA H 4.357 0.02 1 321 55 56 ALA C C 178.272 0.5 1 322 55 56 ALA CA C 52.921 0.5 1 323 55 56 ALA CB C 19.48 0.5 1 324 55 56 ALA N N 125.823 0.5 1 325 56 57 SER H H 8.289 0.02 1 326 56 57 SER HA H 4.494 0.02 1 327 56 57 SER C C 175.256 0.5 1 328 56 57 SER CA C 58.711 0.5 1 329 56 57 SER CB C 63.98 0.5 1 330 56 57 SER N N 114.945 0.5 1 331 57 58 THR H H 8.172 0.02 1 332 57 58 THR HA H 4.408 0.02 1 333 57 58 THR C C 175.016 0.5 1 334 57 58 THR CA C 62.094 0.5 1 335 57 58 THR CB C 69.955 0.5 1 336 57 58 THR N N 115.454 0.5 1 337 58 59 SER H H 8.332 0.02 1 338 58 59 SER HA H 4.54 0.02 1 339 58 59 SER C C 175.233 0.5 1 340 58 59 SER CA C 58.643 0.5 1 341 58 59 SER CB C 64.069 0.5 1 342 58 59 SER N N 117.916 0.5 1 343 59 60 THR H H 8.275 0.02 1 344 59 60 THR HA H 4.425 0.02 1 345 59 60 THR C C 175.176 0.5 1 346 59 60 THR CA C 62.138 0.5 1 347 59 60 THR CB C 69.821 0.5 1 348 59 60 THR N N 115.752 0.5 1 349 60 61 THR H H 8.155 0.02 1 350 60 61 THR HA H 4.357 0.02 1 351 60 61 THR C C 174.652 0.5 1 352 60 61 THR CA C 62.169 0.5 1 353 60 61 THR CB C 69.978 0.5 1 354 60 61 THR N N 115.752 0.5 1 355 61 62 ASN H H 8.483 0.02 1 356 61 62 ASN HA H 4.712 0.02 1 357 61 62 ASN C C 175.348 0.5 1 358 61 62 ASN CA C 53.519 0.5 1 359 61 62 ASN CB C 39.05 0.5 1 360 61 62 ASN N N 121.145 0.5 1 361 62 63 ASN H H 8.47 0.02 1 362 62 63 ASN HA H 4.661 0.02 1 363 62 63 ASN C C 176.192 0.5 1 364 62 63 ASN CA C 53.668 0.5 1 365 62 63 ASN CB C 38.921 0.5 1 366 62 63 ASN N N 119.547 0.5 1 367 63 64 GLY H H 8.419 0.02 1 368 63 64 GLY HA2 H 3.938 0.02 2 369 63 64 GLY HA3 H 3.938 0.02 2 370 63 64 GLY C C 174.698 0.5 1 371 63 64 GLY CA C 45.871 0.5 1 372 63 64 GLY N N 108.914 0.5 1 373 64 65 GLU H H 8.146 0.02 1 374 64 65 GLU HA H 4.402 0.02 1 375 64 65 GLU C C 176.64 0.5 1 376 64 65 GLU CA C 56.121 0.5 1 377 64 65 GLU CB C 29.2 0.5 1 378 64 65 GLU N N 119.69 0.5 1 379 65 66 SER H H 8.397 0.02 1 380 65 66 SER HA H 4.437 0.02 1 381 65 66 SER C C 174.847 0.5 1 382 65 66 SER CA C 58.749 0.5 1 383 65 66 SER CB C 63.98 0.5 1 384 65 66 SER N N 116.909 0.5 1 385 66 67 GLN H H 8.488 0.02 1 386 66 67 GLN HA H 4.42 0.02 1 387 66 67 GLN C C 176.468 0.5 1 388 66 67 GLN CA C 56.169 0.5 1 389 66 67 GLN CB C 29.735 0.5 1 390 66 67 GLN N N 122.273 0.5 1 391 67 68 THR H H 8.282 0.02 1 392 67 68 THR HA H 4.391 0.02 1 393 67 68 THR C C 174.985 0.5 1 394 67 68 THR CA C 62.207 0.5 1 395 67 68 THR CB C 69.865 0.5 1 396 67 68 THR N N 115.445 0.5 1 397 68 69 THR H H 8.217 0.02 1 398 68 69 THR HA H 4.402 0.02 1 399 68 69 THR C C 174.721 0.5 1 400 68 69 THR CA C 61.94 0.5 1 401 68 69 THR CB C 70 0.5 1 402 68 69 THR N N 116.679 0.5 1 403 69 70 THR H H 8.275 0.02 1 404 69 70 THR HA H 4.586 0.02 1 405 69 70 THR CA C 60.163 0.5 1 406 69 70 THR CB C 69.91 0.5 1 407 69 70 THR N N 119.529 0.5 1 408 70 71 PRO HA H 4.494 0.02 1 409 70 71 PRO C C 177.448 0.5 1 410 70 71 PRO CA C 63.602 0.5 1 411 70 71 PRO CB C 32.366 0.5 1 412 71 72 THR H H 8.24 0.02 1 413 71 72 THR HA H 4.259 0.02 1 414 71 72 THR C C 174.847 0.5 1 415 71 72 THR CA C 62.189 0.5 1 416 71 72 THR CB C 70.152 0.5 1 417 71 72 THR N N 114.861 0.5 1 418 72 73 ALA H H 8.364 0.02 1 419 72 73 ALA HA H 4.357 0.02 1 420 72 73 ALA C C 177.988 0.5 1 421 72 73 ALA CA C 52.998 0.5 1 422 72 73 ALA CB C 19.48 0.5 1 423 72 73 ALA N N 126.666 0.5 1 424 73 74 ALA H H 8.283 0.02 1 425 73 74 ALA HA H 4.23 0.02 1 426 73 74 ALA C C 177.889 0.5 1 427 73 74 ALA CA C 52.921 0.5 1 428 73 74 ALA CB C 19.39 0.5 1 429 73 74 ALA N N 122.924 0.5 1 430 74 75 ASP H H 8.313 0.02 1 431 74 75 ASP HA H 4.678 0.02 1 432 74 75 ASP C C 176.085 0.5 1 433 74 75 ASP CA C 53.744 0.5 1 434 74 75 ASP CB C 39.01 0.5 1 435 74 75 ASP N N 117.983 0.5 1 436 75/43 76 THR H H 8.038 0.02 5 437 75/43 76 THR HA H 4.299 0.02 5 438 75/43 76 THR C C 174.985 0.5 5 439 75/43 76 THR CA C 62.474 0.5 5 440 75/43 76 THR CB C 69.955 0.5 5 441 75/43 76 THR N N 114.587 0.5 5 442 76/44 77 ILE H H 8.111 0.02 5 443 76/44 77 ILE HA H 4.116 0.02 5 444 76/44 77 ILE C C 176.536 0.5 5 445 76/44 77 ILE CA C 61.614 0.5 5 446 76/44 77 ILE CB C 38.79 0.5 5 447 76/44 77 ILE N N 123.279 0.5 5 448 77/45 78 ALA H H 8.369 0.02 5 449 77/45 78 ALA HA H 4.322 0.02 5 450 77/45 78 ALA C C 178.225 0.5 5 451 77/45 78 ALA CA C 52.921 0.5 5 452 77/45 78 ALA CB C 19.301 0.5 5 453 77/45 78 ALA N N 127.993 0.5 5 454 78 79 SER H H 8.273 0.02 1 455 78 79 SER HA H 4.391 0.02 1 456 78 79 SER C C 175.677 0.5 1 457 78 79 SER CA C 58.998 0.5 1 458 78 79 SER CB C 64.025 0.5 1 459 78 79 SER N N 115.427 0.5 1 460 79 80 GLY H H 8.425 0.02 1 461 79 80 GLY HA2 H 4.007 0.02 2 462 79 80 GLY HA3 H 4.007 0.02 2 463 79 80 GLY C C 174.668 0.5 1 464 79 80 GLY CA C 45.814 0.5 1 465 79 80 GLY N N 110.871 0.5 1 466 80 81 SER H H 8.202 0.02 1 467 80 81 SER HA H 4.431 0.02 1 468 80 81 SER C C 175.004 0.5 1 469 80 81 SER CA C 58.917 0.5 1 470 80 81 SER CB C 64.034 0.5 1 471 80 81 SER N N 115.547 0.5 1 472 81 82 GLN H H 8.418 0.02 1 473 81 82 GLN HA H 4.345 0.02 1 474 81 82 GLN C C 176.296 0.5 1 475 81 82 GLN CA C 56.265 0.5 1 476 81 82 GLN CB C 29.468 0.5 1 477 81 82 GLN N N 122.035 0.5 1 478 82 83 ARG H H 8.345 0.02 1 479 82 83 ARG HA H 4.345 0.02 1 480 82 83 ARG C C 176.686 0.5 1 481 82 83 ARG CA C 56.371 0.5 1 482 82 83 ARG CB C 31.073 0.5 1 483 82 83 ARG N N 122.141 0.5 1 484 83 84 SER H H 8.425 0.02 1 485 83 84 SER HA H 4.494 0.02 1 486 83 84 SER C C 175.233 0.5 1 487 83 84 SER CA C 58.75 0.5 1 488 83 84 SER CB C 64.069 0.5 1 489 83 84 SER N N 117.235 0.5 1 490 84 85 THR H H 8.266 0.02 1 491 84 85 THR HA H 4.34 0.02 1 492 84 85 THR C C 174.561 0.5 1 493 84 85 THR CA C 62.225 0.5 1 494 84 85 THR CB C 69.866 0.5 1 495 84 85 THR N N 115.692 0.5 1 496 85 86 ASN H H 8.443 0.02 1 497 85 86 ASN HA H 4.764 0.02 1 498 85 86 ASN C C 175.65 0.5 1 499 85 86 ASN CA C 53.543 0.5 1 500 85 86 ASN CB C 39.099 0.5 1 501 85 86 ASN N N 120.769 0.5 1 502 86 87 SER H H 8.323 0.02 1 503 86 87 SER HA H 4.397 0.02 1 504 86 87 SER C C 174.645 0.5 1 505 86 87 SER CA C 58.863 0.5 1 506 86 87 SER CB C 63.98 0.5 1 507 86 87 SER N N 116.763 0.5 1 508 87 88 ALA H H 8.361 0.02 1 509 87 88 ALA HA H 4.357 0.02 1 510 87 88 ALA C C 178.272 0.5 1 511 87 88 ALA CA C 52.921 0.5 1 512 87 88 ALA CB C 19.48 0.5 1 513 87 88 ALA N N 125.823 0.5 1 514 88 89 SER H H 8.289 0.02 1 515 88 89 SER HA H 4.494 0.02 1 516 88 89 SER C C 175.256 0.5 1 517 88 89 SER CA C 58.711 0.5 1 518 88 89 SER CB C 63.98 0.5 1 519 88 89 SER N N 114.945 0.5 1 520 89 90 THR H H 8.172 0.02 1 521 89 90 THR HA H 4.408 0.02 1 522 89 90 THR C C 175.016 0.5 1 523 89 90 THR CA C 62.094 0.5 1 524 89 90 THR CB C 69.955 0.5 1 525 89 90 THR N N 115.454 0.5 1 526 90 91 SER H H 8.332 0.02 1 527 90 91 SER HA H 4.54 0.02 1 528 90 91 SER C C 175.233 0.5 1 529 90 91 SER CA C 58.643 0.5 1 530 90 91 SER CB C 64.069 0.5 1 531 90 91 SER N N 117.916 0.5 1 532 91 92 THR H H 8.275 0.02 1 533 91 92 THR HA H 4.425 0.02 1 534 91 92 THR C C 175.176 0.5 1 535 91 92 THR CA C 62.138 0.5 1 536 91 92 THR CB C 69.821 0.5 1 537 91 92 THR N N 115.752 0.5 1 538 92 93 THR H H 8.155 0.02 1 539 92 93 THR HA H 4.357 0.02 1 540 92 93 THR C C 174.652 0.5 1 541 92 93 THR CA C 62.169 0.5 1 542 92 93 THR CB C 69.978 0.5 1 543 92 93 THR N N 115.752 0.5 1 544 93 94 ASN H H 8.483 0.02 1 545 93 94 ASN HA H 4.712 0.02 1 546 93 94 ASN C C 175.348 0.5 1 547 93 94 ASN CA C 53.519 0.5 1 548 93 94 ASN CB C 39.05 0.5 1 549 93 94 ASN N N 121.145 0.5 1 550 94 95 ASN H H 8.47 0.02 1 551 94 95 ASN HA H 4.661 0.02 1 552 94 95 ASN C C 176.192 0.5 1 553 94 95 ASN CA C 53.668 0.5 1 554 94 95 ASN CB C 38.921 0.5 1 555 94 95 ASN N N 119.547 0.5 1 556 95 96 GLY H H 8.419 0.02 1 557 95 96 GLY HA2 H 3.938 0.02 2 558 95 96 GLY HA3 H 3.938 0.02 2 559 95 96 GLY C C 174.698 0.5 1 560 95 96 GLY CA C 45.871 0.5 1 561 95 96 GLY N N 108.914 0.5 1 562 96 97 GLU H H 8.146 0.02 1 563 96 97 GLU HA H 4.402 0.02 1 564 96 97 GLU C C 176.64 0.5 1 565 96 97 GLU CA C 56.121 0.5 1 566 96 97 GLU CB C 29.2 0.5 1 567 96 97 GLU N N 119.69 0.5 1 568 97 98 SER H H 8.397 0.02 1 569 97 98 SER HA H 4.437 0.02 1 570 97 98 SER C C 174.847 0.5 1 571 97 98 SER CA C 58.749 0.5 1 572 97 98 SER CB C 63.98 0.5 1 573 97 98 SER N N 116.909 0.5 1 574 98 99 GLN H H 8.488 0.02 1 575 98 99 GLN HA H 4.42 0.02 1 576 98 99 GLN C C 176.468 0.5 1 577 98 99 GLN CA C 56.169 0.5 1 578 98 99 GLN CB C 29.735 0.5 1 579 98 99 GLN N N 122.273 0.5 1 580 99 100 THR H H 8.282 0.02 1 581 99 100 THR HA H 4.402 0.02 1 582 99 100 THR C C 174.985 0.5 1 583 99 100 THR CA C 62.169 0.5 1 584 99 100 THR CB C 69.865 0.5 1 585 99 100 THR N N 115.445 0.5 1 586 100 101 THR H H 8.218 0.02 1 587 100 101 THR HA H 4.391 0.02 1 588 100 101 THR C C 174.721 0.5 1 589 100 101 THR CA C 61.94 0.5 1 590 100 101 THR CB C 70 0.5 1 591 100 101 THR N N 116.677 0.5 1 592 101 102 THR H H 8.275 0.02 1 593 101 102 THR HA H 4.586 0.02 1 594 101 102 THR CA C 60.163 0.5 1 595 101 102 THR CB C 69.91 0.5 1 596 101 102 THR N N 119.529 0.5 1 597 102 103 PRO HA H 4.494 0.02 1 598 102 103 PRO C C 177.448 0.5 1 599 102 103 PRO CA C 63.602 0.5 1 600 102 103 PRO CB C 32.366 0.5 1 601 103 104 THR H H 8.24 0.02 1 602 103 104 THR HA H 4.259 0.02 1 603 103 104 THR C C 174.847 0.5 1 604 103 104 THR CA C 62.189 0.5 1 605 103 104 THR CB C 70.152 0.5 1 606 103 104 THR N N 114.861 0.5 1 607 104 105 ALA H H 8.364 0.02 1 608 104 105 ALA HA H 4.288 0.02 1 609 104 105 ALA C C 177.988 0.5 1 610 104 105 ALA CA C 52.883 0.5 1 611 104 105 ALA CB C 19.48 0.5 1 612 104 105 ALA N N 126.666 0.5 1 613 105 106 ALA H H 8.27 0.02 1 614 105 106 ALA HA H 4.265 0.02 1 615 105 106 ALA C C 177.858 0.5 1 616 105 106 ALA CA C 52.883 0.5 1 617 105 106 ALA CB C 19.43 0.5 1 618 105 106 ALA N N 122.998 0.5 1 619 106 107 ASP H H 8.316 0.02 1 620 106 107 ASP HA H 4.689 0.02 1 621 106 107 ASP C C 175.397 0.5 1 622 106 107 ASP CA C 53.285 0.5 1 623 106 107 ASP CB C 39.01 0.5 1 624 106 107 ASP N N 118.073 0.5 1 625 107 108 THR H H 8.017 0.02 1 626 107 108 THR HA H 4.563 0.02 1 627 107 108 THR CA C 60.182 0.5 1 628 107 108 THR CB C 69.865 0.5 1 629 107 108 THR N N 116.768 0.5 1 630 108 109 PRO HA H 4.483 0.02 1 631 108 109 PRO C C 177.454 0.5 1 632 108 109 PRO CA C 63.697 0.5 1 633 108 109 PRO CB C 32.321 0.5 1 634 109 110 THR H H 8.208 0.02 1 635 109 110 THR HA H 4.253 0.02 1 636 109 110 THR C C 174.816 0.5 1 637 109 110 THR CA C 62.247 0.5 1 638 109 110 THR CB C 69.955 0.5 1 639 109 110 THR N N 114.677 0.5 1 640 110 111 ALA H H 8.354 0.02 1 641 110 111 ALA HA H 4.299 0.02 1 642 110 111 ALA C C 178.256 0.5 1 643 110 111 ALA CA C 52.998 0.5 1 644 110 111 ALA CB C 19.569 0.5 1 645 110 111 ALA N N 126.727 0.5 1 646 111 112 THR H H 8.147 0.02 1 647 111 112 THR HA H 4.288 0.02 1 648 111 112 THR C C 174.985 0.5 1 649 111 112 THR CA C 62.189 0.5 1 650 111 112 THR CB C 69.91 0.5 1 651 111 112 THR N N 113.418 0.5 1 652 112 113 GLU H H 8.34 0.02 1 653 112 113 GLU HA H 4.402 0.02 1 654 112 113 GLU C C 176.391 0.5 1 655 112 113 GLU CA C 56.093 0.5 1 656 112 113 GLU CB C 29.111 0.5 1 657 112 113 GLU N N 122.623 0.5 1 658 113 114 SER H H 8.384 0.02 1 659 113 114 SER HA H 4.437 0.02 1 660 113 114 SER C C 174.427 0.5 1 661 113 114 SER CA C 58.56 0.5 1 662 113 114 SER CB C 64.069 0.5 1 663 113 114 SER N N 116.892 0.5 1 664 114 115 ASN H H 8.439 0.02 1 665 114 115 ASN HA H 4.804 0.02 1 666 114 115 ASN C C 175.214 0.5 1 667 114 115 ASN CA C 53.418 0.5 1 668 114 115 ASN CB C 39.099 0.5 1 669 114 115 ASN N N 120.978 0.5 1 670 115 116 SER H H 8.234 0.02 1 671 115 116 SER HA H 4.712 0.02 1 672 115 116 SER CA C 56.781 0.5 1 673 115 116 SER CB C 63.623 0.5 1 674 115 116 SER N N 117.279 0.5 1 675 116 117 PRO C C 177.14 0.5 1 676 116 117 PRO CA C 63.468 0.5 1 677 116 117 PRO CB C 32.321 0.5 1 678 117 118 SER H H 8.415 0.02 1 679 117 118 SER HA H 4.506 0.02 1 680 117 118 SER CA C 58.806 0.5 1 681 117 118 SER CB C 63.89 0.5 1 682 117 118 SER N N 118.054 0.5 1 683 119 120 PRO HA H 4.437 0.02 1 684 119 120 PRO C C 177.255 0.5 1 685 119 120 PRO CA C 63.124 0.5 1 686 119 120 PRO CB C 32.143 0.5 1 687 120 121 ILE H H 8.314 0.02 1 688 120 121 ILE HA H 4.207 0.02 1 689 120 121 ILE C C 177.026 0.5 1 690 120 121 ILE CA C 61.481 0.5 1 691 120 121 ILE CB C 39.1 0.5 1 692 120 121 ILE N N 121.311 0.5 1 693 121 122 THR H H 8.265 0.02 1 694 121 122 THR HA H 4.448 0.02 1 695 121 122 THR C C 174.985 0.5 1 696 121 122 THR CA C 61.901 0.5 1 697 121 122 THR CB C 70.133 0.5 1 698 121 122 THR N N 118.375 0.5 1 699 122 123 THR H H 8.234 0.02 1 700 122 123 THR HA H 4.414 0.02 1 701 122 123 THR C C 175.214 0.5 1 702 122 123 THR CA C 62.054 0.5 1 703 122 123 THR CB C 70.044 0.5 1 704 122 123 THR N N 116.506 0.5 1 705 123 124 THR H H 8.21 0.02 1 706 123 124 THR HA H 4.38 0.02 1 707 123 124 THR C C 174.954 0.5 1 708 123 124 THR CA C 62.245 0.5 1 709 123 124 THR CB C 69.955 0.5 1 710 123 124 THR N N 117.1 0.5 1 711 124 125 GLU H H 8.406 0.02 1 712 124 125 GLU HA H 4.655 0.02 1 713 124 125 GLU C C 176.552 0.5 1 714 124 125 GLU CA C 56.302 0.5 1 715 124 125 GLU CB C 29.29 0.5 1 716 124 125 GLU N N 122.904 0.5 1 717 125 126 SER H H 8.387 0.02 1 718 125 126 SER HA H 4.391 0.02 1 719 125 126 SER C C 175.183 0.5 1 720 125 126 SER CA C 58.844 0.5 1 721 125 126 SER CB C 64.069 0.5 1 722 125 126 SER N N 117.253 0.5 1 723 126 127 SER H H 8.394 0.02 1 724 126 127 SER HA H 4.517 0.02 1 725 126 127 SER C C 175.099 0.5 1 726 126 127 SER CA C 58.806 0.5 1 727 126 127 SER CB C 64.035 0.5 1 728 126 127 SER N N 117.769 0.5 1 729 127 128 SER H H 8.42 0.02 1 730 127 128 SER HA H 4.494 0.02 1 731 127 128 SER C C 175.145 0.5 1 732 127 128 SER CA C 59.035 0.5 1 733 127 128 SER CB C 63.98 0.5 1 734 127 128 SER N N 117.846 0.5 1 735 128 129 SER H H 8.322 0.02 1 736 128 129 SER HA H 4.437 0.02 1 737 128 129 SER C C 175.13 0.5 1 738 128 129 SER CA C 58.738 0.5 1 739 128 129 SER CB C 64.069 0.5 1 740 128 129 SER N N 117.654 0.5 1 741 129 130 GLY H H 8.362 0.02 1 742 129 130 GLY HA2 H 3.955 0.02 2 743 129 130 GLY HA3 H 3.955 0.02 2 744 129 130 GLY C C 174.182 0.5 1 745 129 130 GLY CA C 45.699 0.5 1 746 129 130 GLY N N 110.467 0.5 1 747 130 131 ASN H H 8.24 0.02 1 748 130 131 ASN HA H 4.701 0.02 1 749 130 131 ASN C C 174.931 0.5 1 750 130 131 ASN CA C 53.151 0.5 1 751 130 131 ASN CB C 39.277 0.5 1 752 130 131 ASN N N 118.535 0.5 1 753 131 132 ALA H H 8.24 0.02 1 754 131 132 ALA HA H 4.575 0.02 1 755 131 132 ALA CA C 51.011 0.5 1 756 131 132 ALA CB C 18.409 0.5 1 757 131 132 ALA N N 125.509 0.5 1 758 132 133 PRO HA H 4.391 0.02 1 759 132 133 PRO C C 177.095 0.5 1 760 132 133 PRO CA C 63.544 0.5 1 761 132 133 PRO CB C 32.143 0.5 1 762 133 134 ASN H H 8.462 0.02 1 763 133 134 ASN HA H 4.621 0.02 1 764 133 134 ASN CA C 53.495 0.5 1 765 133 134 ASN CB C 39.01 0.5 1 766 133 134 ASN N N 118.453 0.5 1 767 134 135 LYS C C 177.461 0.5 1 768 134 135 LYS CA C 56.819 0.5 1 769 134 135 LYS CB C 32.767 0.5 1 770 135 136 THR H H 8.222 0.02 1 771 135 136 THR HA H 4.368 0.02 1 772 135 136 THR C C 174.786 0.5 1 773 135 136 THR CA C 62.092 0.5 1 774 135 136 THR CB C 69.955 0.5 1 775 135 136 THR N N 114.513 0.5 1 776 136 137 ASP H H 8.396 0.02 1 777 136 137 ASP HA H 4.655 0.02 1 778 136 137 ASP C C 176.506 0.5 1 779 136 137 ASP CA C 53.877 0.5 1 780 136 137 ASP CB C 39.812 0.5 1 781 136 137 ASP N N 121.645 0.5 1 782 137 138 GLY H H 8.378 0.02 1 783 137 138 GLY HA2 H 3.932 0.02 2 784 137 138 GLY HA3 H 3.932 0.02 2 785 137 138 GLY C C 174.205 0.5 1 786 137 138 GLY CA C 45.89 0.5 1 787 137 138 GLY N N 109.273 0.5 1 788 138 139 LYS H H 8.205 0.02 1 789 138 139 LYS HA H 4.311 0.02 1 790 138 139 LYS CA C 56.781 0.5 1 791 138 139 LYS CB C 32.99 0.5 1 792 138 139 LYS N N 120.671 0.5 1 793 139 140 GLY H H 8.483 0.02 1 794 139 140 GLY HA2 H 3.932 0.02 2 795 139 140 GLY HA3 H 3.932 0.02 2 796 139 140 GLY C C 174.732 0.5 1 797 139 140 GLY CA C 45.718 0.5 1 798 139 140 GLY N N 109.86 0.5 1 799 140 141 GLU H H 8.274 0.02 1 800 140 141 GLU HA H 4.322 0.02 1 801 140 141 GLU C C 176.858 0.5 1 802 140 141 GLU CA C 56.475 0.5 1 803 140 141 GLU CB C 29.111 0.5 1 804 140 141 GLU N N 120.042 0.5 1 805 141 142 GLU H H 8.498 0.02 1 806 141 142 GLU HA H 4.332 0.02 1 807 141 142 GLU C C 176.804 0.5 1 808 141 142 GLU CA C 56.763 0.5 1 809 141 142 GLU CB C 29.067 0.5 1 810 141 142 GLU N N 121.24 0.5 1 811 142 143 SER H H 8.319 0.02 1 812 142 143 SER HA H 4.391 0.02 1 813 142 143 SER C C 175.138 0.5 1 814 142 143 SER CA C 59.035 0.5 1 815 142 143 SER CB C 63.93 0.5 1 816 142 143 SER N N 116.5 0.5 1 817 143 144 GLU H H 8.319 0.02 1 818 143 144 GLU HA H 4.334 0.02 1 819 143 144 GLU C C 176.78 0.5 1 820 143 144 GLU CA C 56.763 0.5 1 821 143 144 GLU CB C 28.98 0.5 1 822 143 144 GLU N N 122.14 0.5 1 823 144 145 LYS H H 8.243 0.02 1 824 144 145 LYS HA H 4.219 0.02 1 825 144 145 LYS C C 177.26 0.5 1 826 144 145 LYS CA C 57.125 0.5 1 827 144 145 LYS CB C 32.946 0.5 1 828 144 145 LYS N N 121.676 0.5 1 829 145 146 GLN H H 8.331 0.02 1 830 145 146 GLN HA H 4.242 0.02 1 831 145 146 GLN C C 176.399 0.5 1 832 145 146 GLN CA C 56.666 0.5 1 833 145 146 GLN CB C 29.335 0.5 1 834 145 146 GLN N N 120.748 0.5 1 835 146 147 ASN H H 8.411 0.02 1 836 146 147 ASN HA H 4.621 0.02 1 837 146 147 ASN C C 175.703 0.5 1 838 146 147 ASN CA C 54.03 0.5 1 839 146 147 ASN CB C 38.921 0.5 1 840 146 147 ASN N N 119.35 0.5 1 841 147 148 GLU H H 8.261 0.02 1 842 147 148 GLU HA H 4.322 0.02 1 843 147 148 GLU C C 176.659 0.5 1 844 147 148 GLU CA C 56.628 0.5 1 845 147 148 GLU CB C 29.1 0.5 1 846 147 148 GLU N N 120.437 0.5 1 847 148 149 LEU H H 8.177 0.02 1 848 148 149 LEU HA H 4.276 0.02 1 849 148 149 LEU N N 122.284 0.5 1 850 149 150 ASN H H 8.352 0.02 1 851 149 150 ASN HA H 4.644 0.02 1 852 149 150 ASN C C 175.8 0.5 1 853 149 150 ASN CA C 53.724 0.5 1 854 149 150 ASN CB C 38.921 0.5 1 855 149 150 ASN N N 118.917 0.5 1 856 150 151 GLU H H 8.257 0.02 1 857 150 151 GLU HA H 4.322 0.02 1 858 150 151 GLU C C 176.751 0.5 1 859 150 151 GLU CA C 56.513 0.5 1 860 150 151 GLU CB C 29.067 0.5 1 861 150 151 GLU N N 120.358 0.5 1 862 151 152 SER H H 8.358 0.02 1 863 151 152 SER HA H 4.46 0.02 1 864 151 152 SER C C 175.428 0.5 1 865 151 152 SER CA C 59.15 0.5 1 866 151 152 SER CB C 63.98 0.5 1 867 151 152 SER N N 116.378 0.5 1 868 152 153 THR H H 8.129 0.02 1 869 152 153 THR HA H 4.334 0.02 1 870 152 153 THR C C 175.099 0.5 1 871 152 153 THR CA C 62.398 0.5 1 872 152 153 THR CB C 69.776 0.5 1 873 152 153 THR N N 115.24 0.5 1 874 153 154 GLU H H 8.252 0.02 1 875 153 154 GLU HA H 4.345 0.02 1 876 153 154 GLU C C 176.292 0.5 1 877 153 154 GLU CA C 56.417 0.5 1 878 153 154 GLU CB C 29.111 0.5 1 879 153 154 GLU N N 122.154 0.5 1 880 154 155 GLU H H 8.31 0.02 1 881 154 155 GLU HA H 4.402 0.02 1 882 154 155 GLU C C 176.506 0.5 1 883 154 155 GLU CA C 56.055 0.5 1 884 154 155 GLU CB C 29.557 0.5 1 885 154 155 GLU N N 121.012 0.5 1 886 155 156 GLY H H 8.23 0.02 1 887 155 156 GLY HA2 H 4.081 0.02 2 888 155 156 GLY HA3 H 4.081 0.02 2 889 155 156 GLY CA C 44.859 0.5 1 890 155 156 GLY N N 110.005 0.5 1 891 156 157 PRO HA H 4.402 0.02 1 892 156 157 PRO C C 177.454 0.5 1 893 156 157 PRO CA C 63.43 0.5 1 894 156 157 PRO CB C 32.4 0.5 1 895 157 158 ARG H H 8.422 0.02 1 896 157 158 ARG HA H 4.299 0.02 1 897 157 158 ARG C C 176.093 0.5 1 898 157 158 ARG CA C 55.825 0.5 1 899 157 158 ARG CB C 31.073 0.5 1 900 157 158 ARG N N 121.388 0.5 1 901 158 159 ALA H H 8.292 0.02 1 902 158 159 ALA HA H 4.54 0.02 1 903 158 159 ALA CA C 50.782 0.5 1 904 158 159 ALA CB C 18.32 0.5 1 905 158 159 ALA N N 126.804 0.5 1 906 159 160 PRO HA H 4.402 0.02 1 907 159 160 PRO C C 177.163 0.5 1 908 159 160 PRO CA C 63.353 0.5 1 909 159 160 PRO CB C 32.232 0.5 1 910 160 161 GLN H H 8.459 0.02 1 911 160 161 GLN HA H 4.288 0.02 1 912 160 161 GLN C C 176.147 0.5 1 913 160 161 GLN CA C 55.902 0.5 1 914 160 161 GLN CB C 29.824 0.5 1 915 160 161 GLN N N 120.487 0.5 1 916 161 162 GLU H H 8.4 0.02 1 917 161 162 GLU HA H 4.414 0.02 1 918 161 162 GLU CA C 53.915 0.5 1 919 161 162 GLU CB C 29.111 0.5 1 920 161 162 GLU N N 122.904 0.5 1 921 162 163 PRO HA H 4.414 0.02 1 922 162 163 PRO C C 177.286 0.5 1 923 162 163 PRO CA C 63.506 0.5 1 924 162 163 PRO CB C 32.321 0.5 1 925 163 164 GLN H H 8.604 0.02 1 926 163 164 GLN HA H 4.35 0.02 1 927 163 164 GLN C C 177.515 0.5 1 928 163 164 GLN CA C 56.246 0.5 1 929 163 164 GLN CB C 29.646 0.5 1 930 163 164 GLN N N 120.935 0.5 1 931 164 165 THR H H 8.164 0.02 1 932 164 165 THR HA H 4.425 0.02 1 933 164 165 THR C C 174.633 0.5 1 934 164 165 THR CA C 62.092 0.5 1 935 164 165 THR CB C 70.04 0.5 1 936 164 165 THR N N 115.341 0.5 1 937 165 166 ALA H H 8.34 0.02 1 938 165 166 ALA HA H 4.288 0.02 1 939 165 166 ALA C C 178.11 0.5 1 940 165 166 ALA CA C 52.96 0.5 1 941 165 166 ALA CB C 19.345 0.5 1 942 165 166 ALA N N 126.115 0.5 1 943 166 167 GLU H H 8.309 0.02 1 944 166 167 GLU HA H 4.276 0.02 1 945 166 167 GLU C C 176.292 0.5 1 946 166 167 GLU CA C 56.437 0.5 1 947 166 167 GLU CB C 29.011 0.5 1 948 166 167 GLU N N 119.384 0.5 1 949 167 168 ASN H H 8.384 0.02 1 950 167 168 ASN HA H 4.632 0.02 1 951 167 168 ASN C C 175.818 0.5 1 952 167 168 ASN CA C 53.571 0.5 1 953 167 168 ASN CB C 38.921 0.5 1 954 167 168 ASN N N 119.225 0.5 1 955 168 169 GLU H H 8.254 0.02 1 956 168 169 GLU HA H 4.322 0.02 1 957 168 169 GLU C C 175.787 0.5 1 958 168 169 GLU CA C 56.017 0.5 1 959 168 169 GLU CB C 29.245 0.5 1 960 168 169 GLU N N 120.348 0.5 1 961 169 170 ASN H H 8.434 0.02 1 962 169 170 ASN HA H 4.942 0.02 1 963 169 170 ASN CA C 51.508 0.5 1 964 169 170 ASN CB C 39.099 0.5 1 965 169 170 ASN N N 120.473 0.5 1 966 170 171 PRO HA H 4.37 0.02 1 967 170 171 PRO C C 176.88 0.5 1 968 170 171 PRO CA C 63.735 0.5 1 969 170 171 PRO CB C 32.321 0.5 1 970 171 172 ALA H H 8.208 0.02 1 971 171 172 ALA HA H 4.265 0.02 1 972 171 172 ALA C C 177.515 0.5 1 973 171 172 ALA CA C 52.31 0.5 1 974 171 172 ALA CB C 19.39 0.5 1 975 171 172 ALA N N 123.022 0.5 1 976 172 173 ALA H H 8.067 0.02 1 977 172 173 ALA HA H 4.54 0.02 1 978 172 173 ALA CA C 50.82 0.5 1 979 172 173 ALA CB C 18.409 0.5 1 980 172 173 ALA N N 124.428 0.5 1 981 173 174 PRO HA H 4.368 0.02 1 982 173 174 PRO C C 177.546 0.5 1 983 173 174 PRO CA C 63.621 0.5 1 984 173 174 PRO CB C 32.232 0.5 1 985 174 175 GLU H H 8.521 0.02 1 986 174 175 GLU HA H 4.276 0.02 1 987 174 175 GLU C C 176.361 0.5 1 988 174 175 GLU CA C 56.495 0.5 1 989 174 175 GLU CB C 29.378 0.5 1 990 174 175 GLU N N 120.119 0.5 1 991 175 176 ASN H H 8.437 0.02 1 992 175 176 ASN HA H 4.689 0.02 1 993 175 176 ASN C C 176.277 0.5 1 994 175 176 ASN CA C 53.438 0.5 1 995 175 176 ASN CB C 39.188 0.5 1 996 175 176 ASN N N 119.881 0.5 1 997 176 177 LYS H H 8.342 0.02 1 998 176 177 LYS HA H 4.334 0.02 1 999 176 177 LYS C C 176.919 0.5 1 1000 176 177 LYS CA C 56.817 0.5 1 1001 176 177 LYS CB C 33.125 0.5 1 1002 176 177 LYS N N 121.936 0.5 1 1003 177 178 GLY H H 8.454 0.02 1 1004 177 178 GLY HA2 H 4.001 0.02 2 1005 177 178 GLY HA3 H 4.001 0.02 2 1006 177 178 GLY C C 174.939 0.5 1 1007 177 178 GLY CA C 45.679 0.5 1 1008 177 178 GLY N N 109.451 0.5 1 1009 178 179 THR H H 8.125 0.02 1 1010 178 179 THR HA H 4.345 0.02 1 1011 178 179 THR C C 175.803 0.5 1 1012 178 179 THR CA C 62.245 0.5 1 1013 178 179 THR CB C 69.955 0.5 1 1014 178 179 THR N N 112.837 0.5 1 1015 179 180 GLY H H 8.494 0.02 1 1016 179 180 GLY HA2 H 3.932 0.02 2 1017 179 180 GLY HA3 H 3.932 0.02 2 1018 179 180 GLY C C 174.518 0.5 1 1019 179 180 GLY CA C 45.623 0.5 1 1020 179 180 GLY N N 110.909 0.5 1 1021 180 181 GLN H H 8.239 0.02 1 1022 180 181 GLN HA H 4.242 0.02 1 1023 180 181 GLN C C 176.445 0.5 1 1024 180 181 GLN CA C 56.151 0.5 1 1025 180 181 GLN CB C 29.468 0.5 1 1026 180 181 GLN N N 119.507 0.5 1 1027 181 182 HIS H H 8.613 0.02 1 1028 181 182 HIS HA H 4.678 0.02 1 1029 181 182 HIS C C 175.206 0.5 1 1030 181 182 HIS CA C 55.5 0.5 1 1031 181 182 HIS CB C 29.155 0.5 1 1032 181 182 HIS N N 119.271 0.5 1 1033 182 183 GLY H H 8.419 0.02 1 1034 182 183 GLY HA2 H 3.886 0.02 2 1035 182 183 GLY HA3 H 3.886 0.02 2 1036 182 183 GLY C C 174.09 0.5 1 1037 182 183 GLY CA C 45.47 0.5 1 1038 182 183 GLY N N 109.474 0.5 1 1039 183 184 HIS H H 8.481 0.02 1 1040 183 184 HIS HA H 4.678 0.02 1 1041 183 184 HIS C C 174.778 0.5 1 1042 183 184 HIS CA C 55.405 0.5 1 1043 183 184 HIS CB C 29.111 0.5 1 1044 183 184 HIS N N 118.006 0.5 1 1045 184 185 MET H H 8.485 0.02 1 1046 184 185 MET HA H 4.391 0.02 1 1047 184 185 MET C C 176.399 0.5 1 1048 184 185 MET CA C 55.902 0.5 1 1049 184 185 MET CB C 33.08 0.5 1 1050 184 185 MET N N 121.569 0.5 1 1051 185 186 HIS H H 8.683 0.02 1 1052 185 186 HIS HA H 4.701 0.02 1 1053 185 186 HIS C C 175.115 0.5 1 1054 185 186 HIS CA C 55.596 0.5 1 1055 185 186 HIS CB C 29.378 0.5 1 1056 185 186 HIS N N 120.021 0.5 1 1057 186 187 GLY H H 8.503 0.02 1 1058 186 187 GLY HA2 H 3.978 0.02 2 1059 186 187 GLY HA3 H 3.978 0.02 2 1060 186 187 GLY C C 174.243 0.5 1 1061 186 187 GLY CA C 45.394 0.5 1 1062 186 187 GLY N N 110.546 0.5 1 1063 187 188 SER H H 8.34 0.02 1 1064 187 188 SER HA H 4.448 0.02 1 1065 187 188 SER C C 175.015 0.5 1 1066 187 188 SER CA C 58.5 0.5 1 1067 187 188 SER CB C 64.29 0.5 1 1068 187 188 SER N N 115.756 0.5 1 1069 188 189 ARG H H 8.512 0.02 1 1070 188 189 ARG HA H 4.322 0.02 1 1071 188 189 ARG C C 176.299 0.5 1 1072 188 189 ARG CA C 56.513 0.5 1 1073 188 189 ARG CB C 30.93 0.5 1 1074 188 189 ARG N N 122.808 0.5 1 1075 189 190 ASN H H 8.451 0.02 1 1076 189 190 ASN HA H 4.655 0.02 1 1077 189 190 ASN C C 175.07 0.5 1 1078 189 190 ASN CA C 53.342 0.5 1 1079 189 190 ASN CB C 38.921 0.5 1 1080 189 190 ASN N N 119.648 0.5 1 1081 190 191 ASN H H 8.371 0.02 1 1082 190 191 ASN HA H 4.621 0.02 1 1083 190 191 ASN C C 174.931 0.5 1 1084 190 191 ASN CA C 53.533 0.5 1 1085 190 191 ASN CB C 38.921 0.5 1 1086 190 191 ASN N N 119.327 0.5 1 1087 191 192 HIS H H 8.393 0.02 1 1088 191 192 HIS HA H 4.953 0.02 1 1089 191 192 HIS CA C 53.571 0.5 1 1090 191 192 HIS CB C 28.843 0.5 1 1091 191 192 HIS N N 119.037 0.5 1 1092 192 193 PRO HA H 4.414 0.02 1 1093 192 193 PRO C C 177.255 0.5 1 1094 192 193 PRO CA C 63.621 0.5 1 1095 192 193 PRO CB C 32.321 0.5 1 1096 193 194 GLN H H 8.639 0.02 1 1097 193 194 GLN HA H 4.322 0.02 1 1098 193 194 GLN C C 176.055 0.5 1 1099 193 194 GLN CA C 56.169 0.5 1 1100 193 194 GLN CB C 29.78 0.5 1 1101 193 194 GLN N N 120.959 0.5 1 1102 194 195 ASN H H 8.565 0.02 1 1103 194 195 ASN HA H 4.793 0.02 1 1104 194 195 ASN C C 175.879 0.5 1 1105 194 195 ASN CA C 53.495 0.5 1 1106 194 195 ASN CB C 39.055 0.5 1 1107 194 195 ASN N N 120.201 0.5 1 1108 195 196 THR H H 8.251 0.02 1 1109 195 196 THR HA H 4.357 0.02 1 1110 195 196 THR C C 175.153 0.5 1 1111 195 196 THR CA C 62.207 0.5 1 1112 195 196 THR CB C 69.955 0.5 1 1113 195 196 THR N N 114.393 0.5 1 1114 196 197 SER H H 8.399 0.02 1 1115 196 197 SER HA H 4.471 0.02 1 1116 196 197 SER C C 174.954 0.5 1 1117 196 197 SER CA C 59.035 0.5 1 1118 196 197 SER CB C 63.98 0.5 1 1119 196 197 SER N N 117.782 0.5 1 1120 197 198 ASP H H 8.433 0.02 1 1121 197 198 ASP HA H 4.678 0.02 1 1122 197 198 ASP C C 175.566 0.5 1 1123 197 198 ASP CA C 54.221 0.5 1 1124 197 198 ASP CB C 39.68 0.5 1 1125 197 198 ASP N N 121.685 0.5 1 1126 198 199 SER H H 8.239 0.02 1 1127 198 199 SER HA H 4.357 0.02 1 1128 198 199 SER C C 175.107 0.5 1 1129 198 199 SER CA C 59.303 0.5 1 1130 198 199 SER CB C 63.89 0.5 1 1131 198 199 SER N N 116.131 0.5 1 1132 199 200 GLN H H 8.281 0.02 1 1133 199 200 GLN HA H 4.299 0.02 1 1134 199 200 GLN CA C 56.475 0.5 1 1135 199 200 GLN CB C 29.38 0.5 1 1136 199 200 GLN N N 121.652 0.5 1 1137 200 201 LYS H H 8.2 0.02 1 1138 200 201 LYS HA H 4.253 0.02 1 1139 200 201 LYS CA C 56.819 0.5 1 1140 200 201 LYS CB C 33.26 0.5 1 1141 200 201 LYS N N 121.849 0.5 1 1142 201 202 GLU H H 8.314 0.02 1 1143 201 202 GLU HA H 4.345 0.02 1 1144 201 202 GLU C C 176.422 0.5 1 1145 201 202 GLU CA C 56.284 0.5 1 1146 201 202 GLU CB C 29.335 0.5 1 1147 201 202 GLU N N 120.514 0.5 1 1148 202 203 CYS H H 8.578 0.02 1 1149 202 203 CYS HA H 4.701 0.02 1 1150 202 203 CYS C C 175.306 0.5 1 1151 202 203 CYS CA C 56.111 0.5 1 1152 202 203 CYS CB C 41.328 0.5 1 1153 202 203 CYS N N 120.795 0.5 1 1154 203 204 THR H H 8.372 0.02 1 1155 203 204 THR HA H 4.38 0.02 1 1156 203 204 THR C C 175.803 0.5 1 1157 203 204 THR CA C 62.321 0.5 1 1158 203 204 THR CB C 70.267 0.5 1 1159 203 204 THR N N 116.076 0.5 1 1160 204 205 ASP H H 8.419 0.02 1 1161 204 205 ASP HA H 4.575 0.02 1 1162 204 205 ASP C C 176.445 0.5 1 1163 204 205 ASP CA C 54.488 0.5 1 1164 204 205 ASP CB C 39.5 0.5 1 1165 204 205 ASP N N 120.426 0.5 1 1166 205 206 GLY H H 8.379 0.02 1 1167 205 206 GLY HA2 H 3.943 0.02 2 1168 205 206 GLY HA3 H 3.943 0.02 2 1169 205 206 GLY C C 174.45 0.5 1 1170 205 206 GLY CA C 46.005 0.5 1 1171 205 206 GLY N N 108.547 0.5 1 1172 206 207 ASN H H 8.107 0.02 1 1173 206 207 ASN HA H 4.724 0.02 1 1174 206 207 ASN CA C 53.495 0.5 1 1175 206 207 ASN CB C 38.921 0.5 1 1176 206 207 ASN N N 118.986 0.5 1 1177 207 208 LYS C C 174.717 0.5 1 1178 207 208 LYS CB C 32.678 0.5 1 1179 208 209 GLU H H 8.252 0.02 1 1180 208 209 GLU HA H 4.288 0.02 1 1181 208 209 GLU CA C 56.875 0.5 1 1182 208 209 GLU CB C 29.111 0.5 1 1183 208 209 GLU N N 119.107 0.5 1 1184 209 210 ASN H H 8.424 0.02 1 1185 209 210 ASN HA H 4.506 0.02 1 1186 209 210 ASN C C 175.375 0.5 1 1187 209 210 ASN CA C 53.647 0.5 1 1188 209 210 ASN CB C 38.52 0.5 1 1189 209 210 ASN N N 117.658 0.5 1 1190 210 211 CYS H H 8.106 0.02 1 1191 210 211 CYS HA H 4.678 0.02 1 1192 210 211 CYS C C 175.214 0.5 1 1193 210 211 CYS CA C 56.264 0.5 1 1194 210 211 CYS CB C 42.53 0.5 1 1195 210 211 CYS N N 117.657 0.5 1 1196 211 212 GLY H H 8.505 0.02 1 1197 211 212 GLY HA2 H 3.966 0.02 2 1198 211 212 GLY HA3 H 3.966 0.02 2 1199 211 212 GLY C C 174.075 0.5 1 1200 211 212 GLY CA C 45.776 0.5 1 1201 211 212 GLY N N 110.368 0.5 1 1202 212 213 ALA H H 8.151 0.02 1 1203 212 213 ALA HA H 4.299 0.02 1 1204 212 213 ALA C C 178.042 0.5 1 1205 212 213 ALA CA C 52.807 0.5 1 1206 212 213 ALA CB C 19.569 0.5 1 1207 212 213 ALA N N 123.961 0.5 1 1208 213 214 ALA H H 8.344 0.02 1 1209 213 214 ALA HA H 4.322 0.02 1 1210 213 214 ALA C C 178.493 0.5 1 1211 213 214 ALA CA C 53.036 0.5 1 1212 213 214 ALA CB C 19.345 0.5 1 1213 213 214 ALA N N 123.233 0.5 1 1214 214 215 THR H H 8.062 0.02 1 1215 214 215 THR HA H 4.288 0.02 1 1216 214 215 THR C C 175.076 0.5 1 1217 214 215 THR CA C 62.321 0.5 1 1218 214 215 THR CB C 69.91 0.5 1 1219 214 215 THR N N 112.755 0.5 1 1220 215 216 SER H H 8.246 0.02 1 1221 215 216 SER HA H 4.448 0.02 1 1222 215 216 SER C C 174.801 0.5 1 1223 215 216 SER CA C 58.653 0.5 1 1224 215 216 SER CB C 63.98 0.5 1 1225 215 216 SER N N 117.86 0.5 1 1226 216 217 LEU H H 8.248 0.02 1 1227 216 217 LEU HA H 4.334 0.02 1 1228 216 217 LEU CA C 55.711 0.5 1 1229 216 217 LEU N N 124.027 0.5 1 1230 217 218 LEU H H 8.151 0.02 1 1231 217 218 LEU HA H 4.357 0.02 1 1232 217 218 LEU CA C 55.482 0.5 1 1233 217 218 LEU N N 122.244 0.5 1 1234 218 219 SER H H 8.208 0.02 1 1235 218 219 SER HA H 4.357 0.02 1 1236 218 219 SER C C 174.778 0.5 1 1237 218 219 SER CA C 58.615 0.5 1 1238 218 219 SER CB C 64.069 0.5 1 1239 218 219 SER N N 116.131 0.5 1 1240 219 220 ASN H H 8.545 0.02 1 1241 219 220 ASN HA H 4.827 0.02 1 1242 219 220 ASN C C 175.482 0.5 1 1243 219 220 ASN CA C 53.591 0.5 1 1244 219 220 ASN CB C 39.045 0.5 1 1245 219 220 ASN N N 120.849 0.5 1 1246 220 221 SER H H 8.27 0.02 1 1247 220 221 SER HA H 4.471 0.02 1 1248 220 221 SER C C 174.916 0.5 1 1249 220 221 SER CA C 58.653 0.5 1 1250 220 221 SER CB C 64.158 0.5 1 1251 220 221 SER N N 116.107 0.5 1 1252 221 222 SER H H 8.115 0.02 1 1253 221 222 SER HA H 4.357 0.02 1 1254 221 222 SER CA C 59.647 0.5 1 1255 221 222 SER CB C 64.782 0.5 1 1256 221 222 SER N N 121.455 0.5 1 stop_ save_