data_19067 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of latherin ; _BMRB_accession_number 19067 _BMRB_flat_file_name bmr19067.str _Entry_type original _Submission_date 2013-03-01 _Accession_date 2013-03-01 _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 Vance S. J. . 2 Macdonald R. E. . 3 Cooper A. . . 4 Kennedy M. W. . 5 Smith Brian O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1181 "13C chemical shifts" 917 "15N chemical shifts" 205 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-06-24 original author . stop_ _Original_release_date 2013-06-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure of latherin, a surfactant allergen protein from horse sweat and saliva' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vance S. J. . 2 Macdonald R. E. . 3 Cooper A. . . 4 Kennedy M. W. . 5 Smith Brian O. . stop_ _Journal_abbreviation 'To Be Published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation_1 _Saveframe_category citation _Citation_full . _Citation_title 'Latherin: A Surfactant Protein of Horse Sweat and Saliva' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19478940 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mcdonald R. . . 2 Fleming R. . . 3 Beeley J. . . 4 Bovell D. . . 5 Lu J. . . 6 Zhao X. . . 7 Cooper A. . . 8 Kennedy M. W. . stop_ _Journal_abbreviation 'PLOS ONE' _Journal_name_full 'PLOS ONE' _Journal_volume 4 _Journal_issue 5 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first e5726 _Page_last e5726 _Year 2009 _Details . save_ save_reference_citation_1_2 _Saveframe_category citation _Citation_full . _Citation_title 'The Relationship between Structure and Function in Natural Surfactant Proteins' _Citation_status published _Citation_type thesis _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vance S. J. . stop_ _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Solution structure of latherin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LATHERIN $LATHERIN stop_ _System_molecular_weight 22883.3271 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_LATHERIN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LATHERIN _Molecular_mass 22883.3271 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 211 _Mol_residue_sequence ; AMAQQIPPEVSSQITDALTQ GLLDGNFLSLLNAINLEGLL NTILDQVTGLLNILVGPLLG PSDAEIKLQDTRLLQLSLEF SPDSKGIDIWIPLELSVYLK LLILEPLTLYVRTDIRVQLR LESDEDGKYRLAFGHCSLLP RAIELQSGNPLSLPVNAVLG TIENALGNFITEDLGAGLCP TLNSLVSNLDLQLVNNLINL ILDRANVDLSV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 ALA 2 -1 MET 3 0 ALA 4 1 GLN 5 2 GLN 6 3 ILE 7 4 PRO 8 5 PRO 9 6 GLU 10 7 VAL 11 8 SER 12 9 SER 13 10 GLN 14 11 ILE 15 12 THR 16 13 ASP 17 14 ALA 18 15 LEU 19 16 THR 20 17 GLN 21 18 GLY 22 19 LEU 23 20 LEU 24 21 ASP 25 22 GLY 26 23 ASN 27 24 PHE 28 25 LEU 29 26 SER 30 27 LEU 31 28 LEU 32 29 ASN 33 30 ALA 34 31 ILE 35 32 ASN 36 33 LEU 37 34 GLU 38 35 GLY 39 36 LEU 40 37 LEU 41 38 ASN 42 39 THR 43 40 ILE 44 41 LEU 45 42 ASP 46 43 GLN 47 44 VAL 48 45 THR 49 46 GLY 50 47 LEU 51 48 LEU 52 49 ASN 53 50 ILE 54 51 LEU 55 52 VAL 56 53 GLY 57 54 PRO 58 55 LEU 59 56 LEU 60 57 GLY 61 58 PRO 62 59 SER 63 60 ASP 64 61 ALA 65 62 GLU 66 63 ILE 67 64 LYS 68 65 LEU 69 66 GLN 70 67 ASP 71 68 THR 72 69 ARG 73 70 LEU 74 71 LEU 75 72 GLN 76 73 LEU 77 74 SER 78 75 LEU 79 76 GLU 80 77 PHE 81 78 SER 82 79 PRO 83 80 ASP 84 81 SER 85 82 LYS 86 83 GLY 87 84 ILE 88 85 ASP 89 86 ILE 90 87 TRP 91 88 ILE 92 89 PRO 93 90 LEU 94 91 GLU 95 92 LEU 96 93 SER 97 94 VAL 98 95 TYR 99 96 LEU 100 97 LYS 101 98 LEU 102 99 LEU 103 100 ILE 104 101 LEU 105 102 GLU 106 103 PRO 107 104 LEU 108 105 THR 109 106 LEU 110 107 TYR 111 108 VAL 112 109 ARG 113 110 THR 114 111 ASP 115 112 ILE 116 113 ARG 117 114 VAL 118 115 GLN 119 116 LEU 120 117 ARG 121 118 LEU 122 119 GLU 123 120 SER 124 121 ASP 125 122 GLU 126 123 ASP 127 124 GLY 128 125 LYS 129 126 TYR 130 127 ARG 131 128 LEU 132 129 ALA 133 130 PHE 134 131 GLY 135 132 HIS 136 133 CYS 137 134 SER 138 135 LEU 139 136 LEU 140 137 PRO 141 138 ARG 142 139 ALA 143 140 ILE 144 141 GLU 145 142 LEU 146 143 GLN 147 144 SER 148 145 GLY 149 146 ASN 150 147 PRO 151 148 LEU 152 149 SER 153 150 LEU 154 151 PRO 155 152 VAL 156 153 ASN 157 154 ALA 158 155 VAL 159 156 LEU 160 157 GLY 161 158 THR 162 159 ILE 163 160 GLU 164 161 ASN 165 162 ALA 166 163 LEU 167 164 GLY 168 165 ASN 169 166 PHE 170 167 ILE 171 168 THR 172 169 GLU 173 170 ASP 174 171 LEU 175 172 GLY 176 173 ALA 177 174 GLY 178 175 LEU 179 176 CYS 180 177 PRO 181 178 THR 182 179 LEU 183 180 ASN 184 181 SER 185 182 LEU 186 183 VAL 187 184 SER 188 185 ASN 189 186 LEU 190 187 ASP 191 188 LEU 192 189 GLN 193 190 LEU 194 191 VAL 195 192 ASN 196 193 ASN 197 194 LEU 198 195 ILE 199 196 ASN 200 197 LEU 201 198 ILE 202 199 LEU 203 200 ASP 204 201 ARG 205 202 ALA 206 203 ASN 207 204 VAL 208 205 ASP 209 206 LEU 210 207 SER 211 208 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3ZPM "Solution Structure Of Latherin" 100.00 211 100.00 100.00 1.64e-141 GB AAM09530 "latherin [Equus caballus]" 99.05 228 100.00 100.00 1.93e-139 GB AAW78663 "sweat gland latherin protein precursor [Equus hemionus onager]" 98.58 208 97.12 98.08 2.67e-133 GB AAW78664 "sweat gland latherin protein precursor [Equus asinus]" 98.10 207 97.10 98.55 3.00e-133 REF NP_001075328 "latherin precursor [Equus caballus]" 99.05 228 100.00 100.00 1.93e-139 REF XP_008506670 "PREDICTED: BPI fold-containing family A member 1 [Equus przewalskii]" 99.05 320 98.56 99.04 3.56e-136 SP P82615 "RecName: Full=Latherin; AltName: Full=Dander allergen Equ c 4/Equ c 5; AltName: Allergen=Equ c 4; Flags: Precursor" 99.05 228 100.00 100.00 1.93e-139 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LATHERIN Horse 9796 Eukaryota Metazoa Equus caballus 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 $LATHERIN 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) pET-32 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Latherin 0.000500 M, NaCl 0.050000 M, NaPi 0.020000 M' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LATHERIN 0.5 mM '[U-13C; U-15N]' 'sodium chloride' 0.05 M 'natural abundance' NaPi 0.02 M 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . stop_ _Details 'Refinement using NOE, H-bond and RDC restraints using ARIA2 and CNS. Details can be found in the JRNL citation above.' save_ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.0 _Details . save_ save_DANGLE _Saveframe_category software _Name DANGLE _Version 1.1 _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-HSQC _Sample_label $sample_1 save_ save_CbCa(Co)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CbCa(Co)NH _Sample_label $sample_1 save_ save_CcCoNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CcCoNH _Sample_label $sample_1 save_ save_HNCaCb_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCaCb _Sample_label $sample_1 save_ save_HNCaCo_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCaCo _Sample_label $sample_1 save_ save_HNCo_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCo _Sample_label $sample_1 save_ save_HbHa(Co)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HbHa(Co)NH _Sample_label $sample_1 save_ save_HbHaNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HbHaNH _Sample_label $sample_1 save_ save_HccCoNH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HccCoNH _Sample_label $sample_1 save_ save_BMx_C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'BMx C_NOESY' _Sample_label $sample_1 save_ save_C_HSQC_B_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'C HSQC B' _Sample_label $sample_1 save_ save_CH3_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name CH3_TOCSY _Sample_label $sample_1 save_ save_HcCoNH_B_13 _Saveframe_category NMR_applied_experiment _Experiment_name 'HcCoNH B' _Sample_label $sample_1 save_ save_Mx_N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name 'Mx N_NOESY' _Sample_label $sample_1 save_ save_cHCH3_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name cHCH3_TOCSY _Sample_label $sample_1 save_ save_hCCoNH_16 _Saveframe_category NMR_applied_experiment _Experiment_name hCCoNH _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [7.5], temp [310.0], pressure [1.0], ionStrength [0.07]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.070 . M pH 7.500 . pH pressure 1.000 . atm temperature 310.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.0 internal indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external 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 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zpm/ebi/EBI-55948.csh' loop_ _Experiment_label 15N-HSQC CbCa(Co)NH CcCoNH HNCaCb HNCaCo HNCo HbHa(Co)NH HbHaNH HccCoNH 'BMx C_NOESY' 'C HSQC B' CH3_TOCSY 'HcCoNH B' 'Mx N_NOESY' cHCH3_TOCSY hCCoNH stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name LATHERIN _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 0 3 ALA HA H 4.306 0.002 1 2 0 3 ALA HB H 1.393 0.006 1 3 0 3 ALA C C 172.288 . 1 4 0 3 ALA CA C 52.770 0.107 1 5 0 3 ALA CB C 19.279 0.137 1 6 1 4 GLN H H 8.326 0.006 1 7 1 4 GLN HA H 4.369 0.022 1 8 1 4 GLN HB2 H 2.142 0.028 2 9 1 4 GLN HB3 H 1.969 0.015 2 10 1 4 GLN HG2 H 2.333 0.017 1 11 1 4 GLN HG3 H 2.333 0.017 1 12 1 4 GLN C C 175.623 . 1 13 1 4 GLN CA C 56.004 0.125 1 14 1 4 GLN CB C 29.818 0.154 1 15 1 4 GLN CG C 34.023 0.128 1 16 1 4 GLN N N 119.160 0.03 1 17 2 5 GLN H H 8.183 0.005 1 18 2 5 GLN HA H 4.499 0.016 1 19 2 5 GLN HB2 H 1.973 0.018 2 20 2 5 GLN HB3 H 2.112 0.014 2 21 2 5 GLN HG2 H 2.365 0.016 1 22 2 5 GLN HG3 H 2.364 0.015 1 23 2 5 GLN C C 175.823 0.002 1 24 2 5 GLN CA C 55.604 0.12 1 25 2 5 GLN CB C 30.225 0.174 1 26 2 5 GLN CG C 33.942 0.138 1 27 2 5 GLN N N 120.149 0.089 1 28 3 6 ILE H H 8.422 0.019 1 29 3 6 ILE HA H 4.200 0.005 1 30 3 6 ILE HB H 1.606 0.008 1 31 3 6 ILE HG12 H 1.196 0.011 2 32 3 6 ILE HG13 H 0.531 0.014 2 33 3 6 ILE HG2 H 0.718 0.004 1 34 3 6 ILE HD1 H 0.167 0.01 1 35 3 6 ILE C C 174.017 . 1 36 3 6 ILE CA C 59.163 0.13 1 37 3 6 ILE CB C 38.557 0.046 1 38 3 6 ILE CG1 C 28.401 0.059 1 39 3 6 ILE CG2 C 16.862 0.043 1 40 3 6 ILE CD1 C 12.822 0.052 1 41 3 6 ILE N N 124.591 0.094 1 42 4 7 PRO HA H 4.691 0.009 1 43 4 7 PRO HB2 H 2.565 0.005 2 44 4 7 PRO HB3 H 1.894 0.006 2 45 4 7 PRO HG2 H 2.138 0.009 1 46 4 7 PRO HG3 H 2.138 0.009 1 47 4 7 PRO HD2 H 3.434 0.005 2 48 4 7 PRO HD3 H 4.084 0.006 2 49 4 7 PRO CA C 62.132 0.05 1 50 4 7 PRO CB C 31.793 0.039 1 51 4 7 PRO CG C 28.015 0.047 1 52 4 7 PRO CD C 51.499 0.042 1 53 5 8 PRO HA H 4.381 0.014 1 54 5 8 PRO HB2 H 2.346 0.012 2 55 5 8 PRO HB3 H 1.975 0.011 2 56 5 8 PRO HG2 H 2.043 0.005 2 57 5 8 PRO HG3 H 2.115 0.006 2 58 5 8 PRO HD2 H 3.877 0.01 1 59 5 8 PRO HD3 H 3.877 0.01 1 60 5 8 PRO C C 178.589 . 1 61 5 8 PRO CA C 65.035 0.063 1 62 5 8 PRO CB C 31.944 0.056 1 63 5 8 PRO CD C 51.131 0.018 1 64 6 9 GLU H H 9.560 0.008 1 65 6 9 GLU HA H 4.143 0.013 1 66 6 9 GLU HB2 H 2.003 0.016 1 67 6 9 GLU HB3 H 2.003 0.016 1 68 6 9 GLU HG2 H 2.295 0.014 1 69 6 9 GLU HG3 H 2.295 0.014 1 70 6 9 GLU C C 178.459 0.029 1 71 6 9 GLU CA C 59.536 0.083 1 72 6 9 GLU CB C 28.410 0.063 1 73 6 9 GLU CG C 36.392 0.079 1 74 6 9 GLU N N 118.142 0.05 1 75 7 10 VAL H H 7.335 0.005 1 76 7 10 VAL HA H 3.935 0.023 1 77 7 10 VAL HB H 2.007 0.013 1 78 7 10 VAL HG1 H 0.975 0.014 2 79 7 10 VAL HG2 H 0.810 0.013 2 80 7 10 VAL C C 177.542 0.006 1 81 7 10 VAL CA C 64.582 0.096 1 82 7 10 VAL CB C 32.277 0.117 1 83 7 10 VAL CG1 C 21.989 0.035 2 84 7 10 VAL CG2 C 21.183 0.082 2 85 7 10 VAL N N 118.701 0.034 1 86 8 11 SER H H 8.194 0.01 1 87 8 11 SER HA H 3.887 0.014 1 88 8 11 SER HB2 H 3.847 0.004 2 89 8 11 SER HB3 H 3.773 0.009 2 90 8 11 SER C C 177.394 . 1 91 8 11 SER CA C 61.570 0.069 1 92 8 11 SER CB C 62.886 0.079 1 93 8 11 SER N N 113.882 0.017 1 94 9 12 SER H H 8.488 0.004 1 95 9 12 SER HA H 4.247 0.007 1 96 9 12 SER HB2 H 3.914 0.006 1 97 9 12 SER HB3 H 3.914 0.006 1 98 9 12 SER C C 175.682 . 1 99 9 12 SER CA C 61.737 0.139 1 100 9 12 SER CB C 62.600 0.113 1 101 9 12 SER N N 117.070 0.071 1 102 10 13 GLN H H 7.368 0.011 1 103 10 13 GLN HA H 4.150 0.017 1 104 10 13 GLN HB2 H 2.140 0.01 1 105 10 13 GLN HB3 H 2.140 0.01 1 106 10 13 GLN HG2 H 2.326 0.018 2 107 10 13 GLN HG3 H 2.582 0.013 2 108 10 13 GLN HE21 H 7.381 0.003 1 109 10 13 GLN HE22 H 6.672 0.003 1 110 10 13 GLN C C 179.441 0.005 1 111 10 13 GLN CA C 59.235 0.094 1 112 10 13 GLN CB C 28.999 0.055 1 113 10 13 GLN CG C 34.295 0.111 1 114 10 13 GLN N N 119.780 0.013 1 115 10 13 GLN NE2 N 110.593 0.033 1 116 11 14 ILE H H 7.753 0.004 1 117 11 14 ILE HA H 3.790 0.004 1 118 11 14 ILE HB H 1.951 0.008 1 119 11 14 ILE HG12 H 1.688 0.008 2 120 11 14 ILE HG13 H 1.161 0.009 2 121 11 14 ILE HG2 H 0.788 0.004 1 122 11 14 ILE HD1 H 0.727 0.003 1 123 11 14 ILE C C 177.730 0.001 1 124 11 14 ILE CA C 64.455 0.065 1 125 11 14 ILE CB C 37.533 0.085 1 126 11 14 ILE CG1 C 29.109 0.056 1 127 11 14 ILE CG2 C 17.825 0.057 1 128 11 14 ILE CD1 C 13.393 0.044 1 129 11 14 ILE N N 118.048 0.018 1 130 12 15 THR H H 8.907 0.005 1 131 12 15 THR HA H 3.770 0.014 1 132 12 15 THR HB H 4.218 0.014 1 133 12 15 THR HG2 H 1.106 0.013 1 134 12 15 THR C C 178.679 . 1 135 12 15 THR CA C 67.399 0.108 1 136 12 15 THR CB C 67.356 0.127 1 137 12 15 THR CG2 C 22.186 0.058 1 138 12 15 THR N N 113.005 0.035 1 139 13 16 ASP H H 8.746 0.007 1 140 13 16 ASP HA H 4.467 0.013 1 141 13 16 ASP HB2 H 2.856 0.005 2 142 13 16 ASP HB3 H 2.623 0.008 2 143 13 16 ASP C C 178.267 0.02 1 144 13 16 ASP CA C 58.128 0.058 1 145 13 16 ASP CB C 40.169 0.081 1 146 13 16 ASP N N 126.011 0.046 1 147 14 17 ALA H H 7.378 0.005 1 148 14 17 ALA HA H 4.180 0.008 1 149 14 17 ALA HB H 1.495 0.007 1 150 14 17 ALA C C 181.685 0.005 1 151 14 17 ALA CA C 55.288 0.115 1 152 14 17 ALA CB C 18.557 0.078 1 153 14 17 ALA N N 122.288 0.042 1 154 15 18 LEU H H 8.457 0.005 1 155 15 18 LEU HA H 3.980 0.012 1 156 15 18 LEU HB2 H 1.123 0.009 2 157 15 18 LEU HB3 H 1.752 0.015 2 158 15 18 LEU HG H 1.788 . 1 159 15 18 LEU HD1 H 0.692 0.015 2 160 15 18 LEU HD2 H 0.699 0.008 2 161 15 18 LEU C C 178.130 0.003 1 162 15 18 LEU CA C 57.829 0.089 1 163 15 18 LEU CB C 42.588 0.086 1 164 15 18 LEU CG C 26.754 . 1 165 15 18 LEU CD1 C 23.510 0.116 2 166 15 18 LEU CD2 C 26.475 0.123 2 167 15 18 LEU N N 118.759 0.037 1 168 16 19 THR H H 8.354 0.004 1 169 16 19 THR HA H 4.384 0.02 1 170 16 19 THR HB H 3.651 0.01 1 171 16 19 THR HG2 H 1.220 0.008 1 172 16 19 THR C C 175.876 . 1 173 16 19 THR CA C 57.728 0.124 1 174 16 19 THR CB C 68.441 0.12 1 175 16 19 THR CG2 C 20.949 0.102 1 176 16 19 THR N N 116.363 0.043 1 177 17 20 GLN H H 8.002 0.003 1 178 17 20 GLN HA H 3.892 0.015 1 179 17 20 GLN HB2 H 2.145 0.011 2 180 17 20 GLN HB3 H 2.083 0.012 2 181 17 20 GLN HG2 H 2.448 0.012 2 182 17 20 GLN HG3 H 2.386 0.015 2 183 17 20 GLN HE21 H 7.817 0.002 1 184 17 20 GLN HE22 H 6.737 0.002 1 185 17 20 GLN C C 178.201 0.009 1 186 17 20 GLN CA C 58.797 0.112 1 187 17 20 GLN CB C 28.023 0.101 1 188 17 20 GLN CG C 33.401 0.152 1 189 17 20 GLN N N 119.905 0.037 1 190 17 20 GLN NE2 N 114.282 0.014 1 191 18 21 GLY H H 7.933 0.004 1 192 18 21 GLY HA2 H 3.916 0.01 2 193 18 21 GLY HA3 H 3.704 0.008 2 194 18 21 GLY C C 177.128 0.002 1 195 18 21 GLY CA C 47.260 0.093 1 196 18 21 GLY N N 105.664 0.02 1 197 19 22 LEU H H 8.221 0.004 1 198 19 22 LEU HA H 4.005 0.016 1 199 19 22 LEU HB2 H 2.013 0.011 2 200 19 22 LEU HB3 H 1.091 0.017 2 201 19 22 LEU HG H 1.654 0.013 1 202 19 22 LEU HD1 H 0.065 0.015 2 203 19 22 LEU HD2 H 0.544 0.015 2 204 19 22 LEU C C 179.201 0.007 1 205 19 22 LEU CA C 57.953 0.039 1 206 19 22 LEU CB C 41.738 0.093 1 207 19 22 LEU CG C 26.249 0.089 1 208 19 22 LEU CD1 C 22.864 0.039 2 209 19 22 LEU CD2 C 26.270 0.046 2 210 19 22 LEU N N 123.100 0.024 1 211 20 23 LEU H H 8.071 0.003 1 212 20 23 LEU HA H 4.251 0.005 1 213 20 23 LEU HB2 H 1.886 0.01 2 214 20 23 LEU HB3 H 1.613 0.006 2 215 20 23 LEU HG H 1.843 0.005 1 216 20 23 LEU HD1 H 0.888 0.006 2 217 20 23 LEU HD2 H 0.896 0.004 2 218 20 23 LEU C C 180.772 0.016 1 219 20 23 LEU CA C 57.897 0.086 1 220 20 23 LEU CB C 41.366 0.08 1 221 20 23 LEU CG C 26.743 0.061 1 222 20 23 LEU CD1 C 25.186 0.103 2 223 20 23 LEU CD2 C 22.687 0.039 2 224 20 23 LEU N N 120.601 0.041 1 225 21 24 ASP H H 9.014 0.003 1 226 21 24 ASP HA H 4.448 0.005 1 227 21 24 ASP HB2 H 2.670 0.011 2 228 21 24 ASP HB3 H 2.737 0.012 2 229 21 24 ASP C C 177.834 0.004 1 230 21 24 ASP CA C 56.867 0.09 1 231 21 24 ASP CB C 40.286 0.086 1 232 21 24 ASP N N 121.744 0.012 1 233 22 25 GLY H H 7.617 0.004 1 234 22 25 GLY HA2 H 3.652 0.008 2 235 22 25 GLY HA3 H 4.269 0.015 2 236 22 25 GLY C C 174.056 0.027 1 237 22 25 GLY CA C 44.926 0.066 1 238 22 25 GLY N N 104.850 0.035 1 239 23 26 ASN H H 8.057 0.007 1 240 23 26 ASN HA H 4.629 0.018 1 241 23 26 ASN HB2 H 2.841 0.009 2 242 23 26 ASN HB3 H 3.059 0.01 2 243 23 26 ASN HD21 H 6.835 0.003 1 244 23 26 ASN HD22 H 7.522 0.003 1 245 23 26 ASN C C 176.096 0.002 1 246 23 26 ASN CA C 53.897 0.089 1 247 23 26 ASN CB C 37.314 0.095 1 248 23 26 ASN N N 116.778 0.06 1 249 23 26 ASN ND2 N 112.478 0.021 1 250 24 27 PHE H H 8.333 0.006 1 251 24 27 PHE HA H 4.135 0.01 1 252 24 27 PHE HB2 H 2.748 0.011 2 253 24 27 PHE HB3 H 3.321 0.009 2 254 24 27 PHE HD1 H 7.004 0.008 3 255 24 27 PHE HD2 H 7.004 0.008 3 256 24 27 PHE HE1 H 7.084 0.009 3 257 24 27 PHE HE2 H 7.084 0.009 3 258 24 27 PHE HZ H 6.991 0.013 1 259 24 27 PHE C C 176.518 0.002 1 260 24 27 PHE CA C 62.353 0.069 1 261 24 27 PHE CB C 41.134 0.15 1 262 24 27 PHE CD1 C 131.985 0.045 3 263 24 27 PHE CD2 C 131.985 0.045 3 264 24 27 PHE CE1 C 130.338 0.04 3 265 24 27 PHE CE2 C 130.338 0.04 3 266 24 27 PHE N N 119.821 0.026 1 267 25 28 LEU H H 8.819 0.004 1 268 25 28 LEU HA H 3.823 0.021 1 269 25 28 LEU HB2 H 1.442 0.005 2 270 25 28 LEU HB3 H 1.799 0.013 2 271 25 28 LEU HG H 1.815 0.016 1 272 25 28 LEU HD1 H 0.972 0.007 2 273 25 28 LEU HD2 H 0.810 0.008 2 274 25 28 LEU C C 179.971 0.003 1 275 25 28 LEU CA C 57.642 0.077 1 276 25 28 LEU CB C 40.715 0.096 1 277 25 28 LEU CG C 27.295 0.039 1 278 25 28 LEU CD1 C 25.295 0.066 2 279 25 28 LEU CD2 C 22.884 0.063 2 280 25 28 LEU N N 114.512 0.026 1 281 26 29 SER H H 7.687 0.004 1 282 26 29 SER HA H 4.201 0.005 1 283 26 29 SER HB2 H 3.932 0.005 1 284 26 29 SER HB3 H 3.932 0.005 1 285 26 29 SER C C 177.035 . 1 286 26 29 SER CA C 61.417 0.106 1 287 26 29 SER CB C 62.596 0.082 1 288 26 29 SER N N 115.466 0.046 1 289 27 30 LEU H H 7.765 0.005 1 290 27 30 LEU HA H 3.971 0.006 1 291 27 30 LEU HB2 H 1.353 0.004 2 292 27 30 LEU HB3 H 1.649 0.006 2 293 27 30 LEU HG H 1.656 0.007 1 294 27 30 LEU HD1 H 0.855 0.005 2 295 27 30 LEU HD2 H 0.915 0.009 2 296 27 30 LEU C C 180.045 0.004 1 297 27 30 LEU CA C 57.757 0.049 1 298 27 30 LEU CB C 41.428 0.073 1 299 27 30 LEU CG C 26.973 0.099 1 300 27 30 LEU CD1 C 23.425 0.121 2 301 27 30 LEU CD2 C 25.443 0.104 2 302 27 30 LEU N N 123.501 0.015 1 303 28 31 LEU H H 7.281 0.005 1 304 28 31 LEU HA H 3.818 0.009 1 305 28 31 LEU HB2 H 1.473 0.01 2 306 28 31 LEU HB3 H 1.627 0.006 2 307 28 31 LEU HG H 1.490 0.006 1 308 28 31 LEU HD1 H 0.753 0.004 2 309 28 31 LEU HD2 H 0.809 0.005 2 310 28 31 LEU C C 177.390 0.001 1 311 28 31 LEU CA C 57.888 0.058 1 312 28 31 LEU CB C 41.135 0.091 1 313 28 31 LEU CG C 28.060 0.064 1 314 28 31 LEU CD1 C 25.747 0.035 2 315 28 31 LEU CD2 C 25.258 0.027 2 316 28 31 LEU N N 118.009 0.023 1 317 29 32 ASN H H 7.497 0.004 1 318 29 32 ASN HA H 4.479 0.003 1 319 29 32 ASN HB2 H 2.876 0.01 2 320 29 32 ASN HB3 H 2.725 0.008 2 321 29 32 ASN C C 175.282 0.015 1 322 29 32 ASN CA C 55.142 0.082 1 323 29 32 ASN CB C 38.888 0.084 1 324 29 32 ASN N N 113.461 0.025 1 325 30 33 ALA H H 7.315 0.007 1 326 30 33 ALA HA H 4.478 0.008 1 327 30 33 ALA HB H 1.432 0.009 1 328 30 33 ALA C C 177.315 0.002 1 329 30 33 ALA CA C 51.764 0.181 1 330 30 33 ALA CB C 19.465 0.098 1 331 30 33 ALA N N 120.331 0.04 1 332 31 34 ILE H H 7.006 0.003 1 333 31 34 ILE HA H 3.934 0.008 1 334 31 34 ILE HB H 1.916 0.008 1 335 31 34 ILE HG12 H 1.449 0.009 2 336 31 34 ILE HG13 H 1.613 0.01 2 337 31 34 ILE HG2 H 0.950 0.007 1 338 31 34 ILE HD1 H 0.768 0.004 1 339 31 34 ILE C C 175.293 0.004 1 340 31 34 ILE CA C 61.312 0.102 1 341 31 34 ILE CB C 38.015 0.09 1 342 31 34 ILE CG1 C 27.674 0.099 1 343 31 34 ILE CG2 C 17.242 0.062 1 344 31 34 ILE CD1 C 12.907 0.069 1 345 31 34 ILE N N 120.650 0.02 1 346 32 35 ASN H H 8.574 0.006 1 347 32 35 ASN HA H 4.596 0.009 1 348 32 35 ASN HB2 H 2.892 0.003 2 349 32 35 ASN HB3 H 2.982 0.011 2 350 32 35 ASN C C 176.706 0.008 1 351 32 35 ASN CA C 54.250 0.081 1 352 32 35 ASN CB C 38.929 0.113 1 353 32 35 ASN N N 125.519 0.034 1 354 33 36 LEU H H 8.913 0.005 1 355 33 36 LEU HA H 4.373 0.004 1 356 33 36 LEU HB2 H 1.534 0.003 2 357 33 36 LEU HB3 H 1.590 0.012 2 358 33 36 LEU HG H 1.759 0.009 1 359 33 36 LEU HD1 H 0.794 0.011 2 360 33 36 LEU HD2 H 0.529 0.011 2 361 33 36 LEU C C 177.136 0.009 1 362 33 36 LEU CA C 54.648 0.087 1 363 33 36 LEU CB C 42.952 0.082 1 364 33 36 LEU CG C 26.461 . 1 365 33 36 LEU CD1 C 26.395 0.057 2 366 33 36 LEU CD2 C 23.561 0.024 2 367 33 36 LEU N N 127.170 0.054 1 368 34 37 GLU H H 8.286 0.004 1 369 34 37 GLU HA H 3.789 0.013 1 370 34 37 GLU HB2 H 2.118 0.012 2 371 34 37 GLU HB3 H 1.999 0.014 2 372 34 37 GLU HG2 H 2.327 0.014 2 373 34 37 GLU HG3 H 2.235 0.014 2 374 34 37 GLU C C 178.559 0.002 1 375 34 37 GLU CA C 60.245 0.088 1 376 34 37 GLU CB C 29.671 0.079 1 377 34 37 GLU CG C 36.739 0.081 1 378 34 37 GLU N N 120.826 0.059 1 379 35 38 GLY H H 8.354 0.005 1 380 35 38 GLY HA2 H 3.831 . 1 381 35 38 GLY HA3 H 3.831 . 1 382 35 38 GLY C C 176.603 0.001 1 383 35 38 GLY CA C 46.963 0.06 1 384 35 38 GLY N N 107.972 0.016 1 385 36 39 LEU H H 7.547 0.006 1 386 36 39 LEU HA H 4.105 0.007 1 387 36 39 LEU HB2 H 1.514 0.016 2 388 36 39 LEU HB3 H 0.972 0.01 2 389 36 39 LEU HG H 1.070 0.016 1 390 36 39 LEU HD1 H 0.681 0.009 2 391 36 39 LEU HD2 H 0.069 0.008 2 392 36 39 LEU C C 177.898 . 1 393 36 39 LEU CA C 57.451 0.084 1 394 36 39 LEU CB C 40.480 0.061 1 395 36 39 LEU CG C 26.596 0.035 1 396 36 39 LEU CD1 C 22.956 0.032 2 397 36 39 LEU CD2 C 25.074 0.035 2 398 36 39 LEU N N 125.274 0.019 1 399 37 40 LEU H H 8.012 0.006 1 400 37 40 LEU HA H 3.712 0.012 1 401 37 40 LEU HB2 H 1.288 0.017 2 402 37 40 LEU HB3 H 1.914 0.014 2 403 37 40 LEU HG H 1.443 0.007 1 404 37 40 LEU HD1 H 0.749 0.019 2 405 37 40 LEU HD2 H 0.639 0.015 2 406 37 40 LEU C C 177.812 0.002 1 407 37 40 LEU CA C 58.241 0.078 1 408 37 40 LEU CB C 41.091 0.083 1 409 37 40 LEU CG C 26.451 0.035 1 410 37 40 LEU CD1 C 25.498 0.054 2 411 37 40 LEU CD2 C 22.892 0.027 2 412 37 40 LEU N N 118.836 0.042 1 413 38 41 ASN H H 8.203 0.005 1 414 38 41 ASN HA H 4.331 0.01 1 415 38 41 ASN HB2 H 2.834 0.009 1 416 38 41 ASN HB3 H 2.834 0.009 1 417 38 41 ASN HD21 H 7.445 0.006 1 418 38 41 ASN HD22 H 6.884 0.004 1 419 38 41 ASN C C 177.741 0.011 1 420 38 41 ASN CA C 56.663 0.085 1 421 38 41 ASN CB C 38.209 0.111 1 422 38 41 ASN N N 116.213 0.068 1 423 38 41 ASN ND2 N 111.889 0.018 1 424 39 42 THR H H 8.147 0.006 1 425 39 42 THR HA H 4.038 0.006 1 426 39 42 THR HB H 4.340 0.007 1 427 39 42 THR HG2 H 1.243 0.006 1 428 39 42 THR C C 176.353 0.004 1 429 39 42 THR CA C 66.785 0.097 1 430 39 42 THR CB C 68.794 0.141 1 431 39 42 THR CG2 C 21.267 0.111 1 432 39 42 THR N N 117.866 0.03 1 433 40 43 ILE H H 8.172 0.008 1 434 40 43 ILE HA H 3.372 0.012 1 435 40 43 ILE HB H 1.835 0.015 1 436 40 43 ILE HG12 H 1.804 0.004 2 437 40 43 ILE HG13 H 0.608 0.003 2 438 40 43 ILE HG2 H 0.730 0.008 1 439 40 43 ILE HD1 H 0.622 0.007 1 440 40 43 ILE C C 177.797 0.026 1 441 40 43 ILE CA C 66.527 0.081 1 442 40 43 ILE CB C 37.876 0.05 1 443 40 43 ILE CG1 C 30.198 0.063 1 444 40 43 ILE CG2 C 18.482 0.036 1 445 40 43 ILE CD1 C 13.651 0.037 1 446 40 43 ILE N N 121.042 0.039 1 447 41 44 LEU H H 8.917 0.005 1 448 41 44 LEU HA H 3.854 0.005 1 449 41 44 LEU HB2 H 1.830 0.006 2 450 41 44 LEU HB3 H 1.528 0.01 2 451 41 44 LEU HG H 1.637 0.005 1 452 41 44 LEU HD1 H 0.805 0.007 2 453 41 44 LEU HD2 H 0.818 0.002 2 454 41 44 LEU C C 179.965 0.001 1 455 41 44 LEU CA C 58.820 0.128 1 456 41 44 LEU CB C 41.845 0.161 1 457 41 44 LEU CG C 26.994 0.012 1 458 41 44 LEU CD1 C 24.048 0.027 2 459 41 44 LEU CD2 C 25.160 . 2 460 41 44 LEU N N 119.850 0.044 1 461 42 45 ASP H H 8.291 0.003 1 462 42 45 ASP HA H 4.333 0.009 1 463 42 45 ASP HB2 H 2.868 0.01 2 464 42 45 ASP HB3 H 2.708 0.004 2 465 42 45 ASP C C 178.759 0.053 1 466 42 45 ASP CA C 57.723 0.077 1 467 42 45 ASP CB C 41.115 0.105 1 468 42 45 ASP N N 120.580 0.037 1 469 43 46 GLN H H 7.826 0.004 1 470 43 46 GLN HA H 4.169 0.015 1 471 43 46 GLN HB2 H 1.969 0.018 2 472 43 46 GLN HB3 H 2.095 0.018 2 473 43 46 GLN HG2 H 2.406 0.009 2 474 43 46 GLN HG3 H 2.643 0.009 2 475 43 46 GLN HE21 H 7.235 0.005 1 476 43 46 GLN HE22 H 6.693 0.003 1 477 43 46 GLN C C 179.356 0.001 1 478 43 46 GLN CA C 58.544 0.089 1 479 43 46 GLN CB C 29.779 0.135 1 480 43 46 GLN CG C 34.601 0.072 1 481 43 46 GLN N N 116.539 0.03 1 482 43 46 GLN NE2 N 110.852 0.025 1 483 44 47 VAL H H 8.891 0.004 1 484 44 47 VAL HA H 3.920 0.018 1 485 44 47 VAL HB H 2.169 0.017 1 486 44 47 VAL HG1 H 0.885 0.01 2 487 44 47 VAL HG2 H 0.947 0.013 2 488 44 47 VAL C C 177.466 0.005 1 489 44 47 VAL CA C 65.628 0.077 1 490 44 47 VAL CB C 31.945 0.115 1 491 44 47 VAL CG1 C 21.807 0.055 2 492 44 47 VAL CG2 C 22.416 0.038 2 493 44 47 VAL N N 116.307 0.04 1 494 45 48 THR H H 8.219 0.006 1 495 45 48 THR HA H 3.720 0.015 1 496 45 48 THR HB H 4.262 0.012 1 497 45 48 THR HG2 H 1.223 0.013 1 498 45 48 THR C C 176.766 . 1 499 45 48 THR CA C 67.584 0.099 1 500 45 48 THR CB C 68.501 0.104 1 501 45 48 THR CG2 C 21.620 0.067 1 502 45 48 THR N N 115.569 0.054 1 503 46 49 GLY H H 7.778 0.006 1 504 46 49 GLY HA2 H 3.893 0.012 1 505 46 49 GLY HA3 H 3.893 0.012 1 506 46 49 GLY C C 176.085 0.008 1 507 46 49 GLY CA C 47.031 0.167 1 508 46 49 GLY N N 107.608 0.049 1 509 47 50 LEU H H 7.464 0.005 1 510 47 50 LEU HA H 4.206 0.016 1 511 47 50 LEU HB2 H 1.486 0.019 2 512 47 50 LEU HB3 H 1.805 0.014 2 513 47 50 LEU HG H 1.733 0.007 1 514 47 50 LEU HD1 H 0.870 0.012 2 515 47 50 LEU HD2 H 0.916 0.015 2 516 47 50 LEU C C 179.065 0.037 1 517 47 50 LEU CA C 57.256 0.101 1 518 47 50 LEU CB C 42.873 0.075 1 519 47 50 LEU CG C 27.061 0.049 1 520 47 50 LEU CD1 C 23.837 0.065 2 521 47 50 LEU CD2 C 25.222 0.168 2 522 47 50 LEU N N 121.060 0.047 1 523 48 51 LEU H H 8.069 0.007 1 524 48 51 LEU HA H 4.149 0.013 1 525 48 51 LEU HB2 H 1.790 0.015 2 526 48 51 LEU HB3 H 1.480 0.013 2 527 48 51 LEU HG H 1.607 0.009 1 528 48 51 LEU HD1 H 0.787 0.008 2 529 48 51 LEU HD2 H 0.802 0.005 2 530 48 51 LEU C C 177.621 0.011 1 531 48 51 LEU CA C 56.421 0.156 1 532 48 51 LEU CB C 41.910 0.042 1 533 48 51 LEU CD1 C 25.982 0.155 2 534 48 51 LEU CD2 C 22.675 0.076 2 535 48 51 LEU N N 117.220 0.032 1 536 49 52 ASN H H 8.154 0.009 1 537 49 52 ASN HA H 4.449 0.012 1 538 49 52 ASN HB2 H 2.819 0.011 1 539 49 52 ASN HB3 H 2.826 0.008 1 540 49 52 ASN C C 175.858 0.025 1 541 49 52 ASN CA C 55.160 0.072 1 542 49 52 ASN CB C 38.198 0.166 1 543 49 52 ASN N N 117.740 0.096 1 544 50 53 ILE H H 7.418 0.007 1 545 50 53 ILE HA H 4.025 0.011 1 546 50 53 ILE HB H 1.835 0.015 1 547 50 53 ILE HG12 H 1.159 0.018 2 548 50 53 ILE HG13 H 1.505 0.014 2 549 50 53 ILE HG2 H 0.864 0.018 1 550 50 53 ILE HD1 H 0.837 0.011 1 551 50 53 ILE C C 176.431 0.002 1 552 50 53 ILE CA C 62.050 0.083 1 553 50 53 ILE CB C 39.053 0.12 1 554 50 53 ILE CG1 C 27.677 0.113 1 555 50 53 ILE CG2 C 17.437 0.104 1 556 50 53 ILE CD1 C 13.179 0.06 1 557 50 53 ILE N N 116.681 0.037 1 558 51 54 LEU H H 7.975 0.006 1 559 51 54 LEU HA H 4.299 0.017 1 560 51 54 LEU HB2 H 1.633 0.015 2 561 51 54 LEU HB3 H 1.518 0.011 2 562 51 54 LEU HG H 1.669 0.007 1 563 51 54 LEU HD1 H 0.825 0.012 1 564 51 54 LEU HD2 H 0.822 0.012 1 565 51 54 LEU C C 177.457 0.003 1 566 51 54 LEU CA C 56.278 0.119 1 567 51 54 LEU CB C 43.316 0.094 1 568 51 54 LEU CG C 26.891 0.001 1 569 51 54 LEU CD1 C 23.281 0.01 1 570 51 54 LEU CD2 C 23.281 0.01 1 571 51 54 LEU N N 122.042 0.074 1 572 52 55 VAL H H 8.239 0.009 1 573 52 55 VAL HA H 4.203 0.013 1 574 52 55 VAL HB H 2.168 0.015 1 575 52 55 VAL HG1 H 0.883 0.012 1 576 52 55 VAL HG2 H 0.883 0.014 1 577 52 55 VAL C C 176.051 0.024 1 578 52 55 VAL CA C 62.407 0.094 1 579 52 55 VAL CB C 33.207 0.074 1 580 52 55 VAL CG1 C 20.632 0.141 2 581 52 55 VAL CG2 C 21.387 0.141 2 582 52 55 VAL N N 117.013 0.071 1 583 53 56 GLY H H 7.873 0.005 1 584 53 56 GLY HA2 H 4.209 0.004 2 585 53 56 GLY HA3 H 3.953 0.007 2 586 53 56 GLY C C 171.305 . 1 587 53 56 GLY CA C 44.930 0.048 1 588 53 56 GLY N N 111.181 0.035 1 589 54 57 PRO HA H 4.350 0.011 1 590 54 57 PRO HB2 H 2.192 0.01 2 591 54 57 PRO HB3 H 1.821 0.01 2 592 54 57 PRO HG2 H 1.966 0.02 1 593 54 57 PRO HG3 H 1.966 0.02 1 594 54 57 PRO HD2 H 3.568 0.015 1 595 54 57 PRO HD3 H 3.568 0.015 1 596 54 57 PRO C C 176.987 0.017 1 597 54 57 PRO CA C 63.340 0.072 1 598 54 57 PRO CB C 32.000 0.088 1 599 54 57 PRO CG C 27.206 0.121 1 600 54 57 PRO CD C 49.711 0.053 1 601 55 58 LEU H H 8.130 0.004 1 602 55 58 LEU HA H 4.367 0.006 1 603 55 58 LEU HB2 H 1.617 0.005 2 604 55 58 LEU HB3 H 1.528 0.004 2 605 55 58 LEU HG H 1.621 0.007 1 606 55 58 LEU HD1 H 0.880 0.009 2 607 55 58 LEU HD2 H 0.817 0.006 2 608 55 58 LEU C C 176.829 0.03 1 609 55 58 LEU CA C 54.850 0.029 1 610 55 58 LEU CB C 42.309 0.095 1 611 55 58 LEU CG C 26.858 0.075 1 612 55 58 LEU CD1 C 25.420 0.188 2 613 55 58 LEU CD2 C 23.843 0.193 2 614 55 58 LEU N N 121.992 0.014 1 615 56 59 LEU H H 8.087 0.004 1 616 56 59 LEU HA H 4.382 0.004 1 617 56 59 LEU HB2 H 1.574 0.004 1 618 56 59 LEU HB3 H 1.574 0.004 1 619 56 59 LEU HG H 1.565 0.007 1 620 56 59 LEU HD1 H 0.858 0.012 2 621 56 59 LEU HD2 H 0.802 0.008 2 622 56 59 LEU C C 177.030 0.003 1 623 56 59 LEU CA C 54.881 0.085 1 624 56 59 LEU CB C 42.705 0.085 1 625 56 59 LEU CG C 26.945 0.022 1 626 56 59 LEU CD1 C 25.251 0.065 2 627 56 59 LEU CD2 C 23.531 0.036 2 628 56 59 LEU N N 123.246 0.04 1 629 57 60 GLY H H 8.151 0.003 1 630 57 60 GLY HA2 H 3.954 0.01 2 631 57 60 GLY HA3 H 4.081 0.014 2 632 57 60 GLY C C 171.873 . 1 633 57 60 GLY CA C 44.525 0.08 1 634 57 60 GLY N N 109.294 0.036 1 635 58 61 PRO HD2 H 3.579 0.001 1 636 58 61 PRO HD3 H 3.579 0.001 1 637 58 61 PRO CD C 49.814 . 1 638 59 62 SER HA H 4.407 0.005 1 639 59 62 SER HB2 H 3.798 0.009 2 640 59 62 SER HB3 H 3.796 0.009 2 641 59 62 SER C C 174.080 . 1 642 59 62 SER CA C 58.325 0.202 1 643 59 62 SER CB C 63.899 0.109 1 644 60 63 ASP H H 7.997 0.004 1 645 60 63 ASP HA H 4.661 0.015 1 646 60 63 ASP HB2 H 2.619 0.008 2 647 60 63 ASP HB3 H 2.516 0.016 2 648 60 63 ASP C C 175.041 0.006 1 649 60 63 ASP CA C 54.347 0.068 1 650 60 63 ASP CB C 41.767 0.108 1 651 60 63 ASP N N 121.587 0.043 1 652 61 64 ALA H H 7.902 0.004 1 653 61 64 ALA HA H 4.704 0.016 1 654 61 64 ALA HB H 1.386 0.006 1 655 61 64 ALA C C 176.175 0.002 1 656 61 64 ALA CA C 52.042 0.115 1 657 61 64 ALA CB C 21.162 0.121 1 658 61 64 ALA N N 122.658 0.026 1 659 62 65 GLU H H 8.747 0.006 1 660 62 65 GLU HA H 4.684 0.02 1 661 62 65 GLU HB2 H 1.995 0.017 2 662 62 65 GLU HB3 H 1.925 0.024 2 663 62 65 GLU HG2 H 2.145 0.012 1 664 62 65 GLU HG3 H 2.145 0.012 1 665 62 65 GLU C C 173.336 0.001 1 666 62 65 GLU CA C 55.599 0.089 1 667 62 65 GLU CB C 34.874 0.092 1 668 62 65 GLU CG C 36.510 0.109 1 669 62 65 GLU N N 119.115 0.019 1 670 63 66 ILE H H 8.379 0.005 1 671 63 66 ILE HA H 5.438 0.012 1 672 63 66 ILE HB H 1.496 0.015 1 673 63 66 ILE HG12 H 0.845 0.002 2 674 63 66 ILE HG13 H 1.656 0.003 2 675 63 66 ILE HG2 H 0.783 0.01 1 676 63 66 ILE HD1 H 0.557 0.009 1 677 63 66 ILE C C 173.194 0.034 1 678 63 66 ILE CA C 58.975 0.056 1 679 63 66 ILE CB C 41.737 0.082 1 680 63 66 ILE CG1 C 28.207 0.091 1 681 63 66 ILE CG2 C 16.635 0.065 1 682 63 66 ILE CD1 C 14.401 0.078 1 683 63 66 ILE N N 121.255 0.038 1 684 64 67 LYS H H 8.872 0.008 1 685 64 67 LYS HA H 4.606 0.012 1 686 64 67 LYS HB2 H 1.690 0.011 2 687 64 67 LYS HB3 H 1.840 0.016 2 688 64 67 LYS HG2 H 1.343 0.013 2 689 64 67 LYS HG3 H 1.265 0.017 2 690 64 67 LYS HD2 H 1.546 0.016 1 691 64 67 LYS HD3 H 1.546 0.015 1 692 64 67 LYS HE2 H 2.747 0.014 1 693 64 67 LYS HE3 H 2.747 0.014 1 694 64 67 LYS C C 174.606 0.003 1 695 64 67 LYS CA C 55.260 0.067 1 696 64 67 LYS CB C 37.017 0.069 1 697 64 67 LYS CG C 24.743 0.075 1 698 64 67 LYS CD C 29.149 0.09 1 699 64 67 LYS CE C 42.135 0.033 1 700 64 67 LYS N N 123.540 0.026 1 701 65 68 LEU H H 8.783 0.008 1 702 65 68 LEU HA H 4.957 0.013 1 703 65 68 LEU HB2 H 1.712 0.008 2 704 65 68 LEU HB3 H 1.424 0.013 2 705 65 68 LEU HG H 1.717 0.007 1 706 65 68 LEU HD1 H 0.886 0.006 2 707 65 68 LEU HD2 H 0.773 0.011 2 708 65 68 LEU C C 176.351 0.004 1 709 65 68 LEU CA C 54.227 0.097 1 710 65 68 LEU CB C 42.019 0.116 1 711 65 68 LEU CG C 27.121 0.065 1 712 65 68 LEU CD1 C 25.513 0.046 2 713 65 68 LEU CD2 C 24.465 0.015 2 714 65 68 LEU N N 123.601 0.048 1 715 66 69 GLN H H 8.989 0.004 1 716 66 69 GLN HA H 4.614 0.003 1 717 66 69 GLN HB2 H 1.846 0.006 2 718 66 69 GLN HB3 H 1.974 0.007 2 719 66 69 GLN HG2 H 2.072 0.011 1 720 66 69 GLN HG3 H 2.071 0.012 1 721 66 69 GLN HE21 H 6.470 0.003 1 722 66 69 GLN HE22 H 7.149 0.002 1 723 66 69 GLN C C 174.193 0.001 1 724 66 69 GLN CA C 55.209 0.112 1 725 66 69 GLN CB C 31.502 0.091 1 726 66 69 GLN CG C 33.629 0.101 1 727 66 69 GLN N N 122.285 0.041 1 728 66 69 GLN NE2 N 109.776 0.026 1 729 67 70 ASP H H 8.258 0.005 1 730 67 70 ASP HA H 4.483 0.003 1 731 67 70 ASP HB2 H 2.673 0.01 2 732 67 70 ASP HB3 H 2.649 0.023 2 733 67 70 ASP C C 174.964 0.006 1 734 67 70 ASP CA C 55.115 0.062 1 735 67 70 ASP CB C 41.490 0.136 1 736 67 70 ASP N N 116.910 0.021 1 737 68 71 THR H H 7.848 0.004 1 738 68 71 THR HA H 4.917 0.016 1 739 68 71 THR HB H 3.973 0.009 1 740 68 71 THR HG2 H 1.146 0.01 1 741 68 71 THR C C 174.973 0.006 1 742 68 71 THR CA C 60.657 0.082 1 743 68 71 THR CB C 70.528 0.159 1 744 68 71 THR CG2 C 22.954 0.069 1 745 68 71 THR N N 110.817 0.014 1 746 69 72 ARG H H 9.081 0.004 1 747 69 72 ARG HA H 4.616 0.012 1 748 69 72 ARG HB2 H 1.841 0.014 2 749 69 72 ARG HB3 H 1.769 0.018 2 750 69 72 ARG HG2 H 1.535 0.014 1 751 69 72 ARG HG3 H 1.535 0.014 1 752 69 72 ARG HD2 H 3.165 0.01 1 753 69 72 ARG HD3 H 3.165 0.01 1 754 69 72 ARG C C 173.645 0.015 1 755 69 72 ARG CA C 55.813 0.088 1 756 69 72 ARG CB C 34.281 0.065 1 757 69 72 ARG CG C 27.143 0.064 1 758 69 72 ARG CD C 43.634 0.082 1 759 69 72 ARG N N 122.251 0.023 1 760 70 73 LEU H H 8.386 0.004 1 761 70 73 LEU HA H 4.902 0.012 1 762 70 73 LEU HB2 H 1.492 0.014 2 763 70 73 LEU HB3 H 1.754 0.019 2 764 70 73 LEU HG H 1.797 0.006 1 765 70 73 LEU HD1 H 0.887 0.01 1 766 70 73 LEU HD2 H 0.887 0.01 1 767 70 73 LEU C C 176.950 0.002 1 768 70 73 LEU CA C 54.229 0.092 1 769 70 73 LEU CB C 44.387 0.089 1 770 70 73 LEU CG C 27.054 0.061 1 771 70 73 LEU CD1 C 25.642 0.048 1 772 70 73 LEU CD2 C 25.642 0.048 1 773 70 73 LEU N N 123.515 0.017 1 774 71 74 LEU H H 8.130 0.003 1 775 71 74 LEU HA H 4.621 0.012 1 776 71 74 LEU HB2 H 1.737 0.008 2 777 71 74 LEU HB3 H 1.522 0.014 2 778 71 74 LEU HG H 1.453 0.004 1 779 71 74 LEU HD1 H 0.757 0.007 2 780 71 74 LEU HD2 H 0.743 0.005 2 781 71 74 LEU C C 175.213 0.006 1 782 71 74 LEU CA C 53.430 0.079 1 783 71 74 LEU CB C 40.838 0.105 1 784 71 74 LEU CG C 28.107 0.103 1 785 71 74 LEU CD1 C 24.887 0.012 2 786 71 74 LEU CD2 C 22.834 0.08 2 787 71 74 LEU N N 125.433 0.035 1 788 72 75 GLN H H 7.462 0.004 1 789 72 75 GLN HA H 4.086 0.017 1 790 72 75 GLN HB2 H 1.967 0.01 2 791 72 75 GLN HB3 H 1.934 0.017 2 792 72 75 GLN HG2 H 2.442 0.012 2 793 72 75 GLN HG3 H 2.357 0.009 2 794 72 75 GLN HE21 H 6.828 0.004 1 795 72 75 GLN HE22 H 7.636 0.004 1 796 72 75 GLN C C 175.477 0.003 1 797 72 75 GLN CA C 56.906 0.107 1 798 72 75 GLN CB C 29.189 0.084 1 799 72 75 GLN CG C 33.649 0.174 1 800 72 75 GLN N N 116.916 0.024 1 801 72 75 GLN NE2 N 112.861 0.035 1 802 73 76 LEU H H 8.193 0.003 1 803 73 76 LEU HA H 4.719 0.002 1 804 73 76 LEU HB2 H 1.612 0.006 2 805 73 76 LEU HB3 H 1.537 0.008 2 806 73 76 LEU HG H 2.072 0.005 1 807 73 76 LEU HD1 H 0.773 0.005 2 808 73 76 LEU HD2 H 0.985 0.005 2 809 73 76 LEU C C 177.064 0.042 1 810 73 76 LEU CA C 56.585 0.065 1 811 73 76 LEU CB C 44.269 0.056 1 812 73 76 LEU CG C 29.915 0.042 1 813 73 76 LEU CD1 C 26.729 0.03 2 814 73 76 LEU CD2 C 24.177 0.034 2 815 73 76 LEU N N 127.017 0.021 1 816 74 77 SER H H 8.624 0.004 1 817 74 77 SER HA H 4.741 0.012 1 818 74 77 SER HB2 H 3.823 0.016 2 819 74 77 SER HB3 H 3.804 0.018 2 820 74 77 SER C C 171.634 0.034 1 821 74 77 SER CA C 57.667 0.051 1 822 74 77 SER CB C 66.160 0.066 1 823 74 77 SER N N 112.460 0.055 1 824 75 78 LEU H H 8.371 0.005 1 825 75 78 LEU HA H 5.462 0.015 1 826 75 78 LEU HB2 H 1.359 0.014 2 827 75 78 LEU HB3 H 1.375 0.014 2 828 75 78 LEU HG H 1.475 0.014 1 829 75 78 LEU HD1 H 0.689 0.013 2 830 75 78 LEU HD2 H 0.678 0.009 2 831 75 78 LEU C C 175.810 0.007 1 832 75 78 LEU CA C 53.777 0.083 1 833 75 78 LEU CB C 46.072 0.062 1 834 75 78 LEU CG C 27.174 0.092 1 835 75 78 LEU CD1 C 26.309 0.077 2 836 75 78 LEU CD2 C 26.038 0.129 2 837 75 78 LEU N N 119.851 0.051 1 838 76 79 GLU H H 8.974 0.007 1 839 76 79 GLU HA H 4.660 0.004 1 840 76 79 GLU HB2 H 2.012 0.007 2 841 76 79 GLU HB3 H 2.230 0.016 2 842 76 79 GLU HG2 H 2.282 0.01 1 843 76 79 GLU HG3 H 2.282 0.01 1 844 76 79 GLU C C 175.566 0.001 1 845 76 79 GLU CA C 54.712 0.083 1 846 76 79 GLU CB C 34.179 0.091 1 847 76 79 GLU CG C 35.650 0.11 1 848 76 79 GLU N N 119.729 0.071 1 849 77 80 PHE H H 8.935 0.011 1 850 77 80 PHE HA H 4.761 0.011 1 851 77 80 PHE HB2 H 3.244 0.005 2 852 77 80 PHE HB3 H 2.863 0.008 2 853 77 80 PHE HD1 H 7.296 0.01 3 854 77 80 PHE HD2 H 7.296 0.01 3 855 77 80 PHE HE1 H 7.062 0.01 3 856 77 80 PHE HE2 H 7.062 0.01 3 857 77 80 PHE C C 176.524 0.001 1 858 77 80 PHE CA C 59.805 0.115 1 859 77 80 PHE CB C 39.350 0.15 1 860 77 80 PHE CD1 C 131.547 0.133 3 861 77 80 PHE CD2 C 131.547 0.133 3 862 77 80 PHE CE1 C 131.571 0.077 3 863 77 80 PHE CE2 C 131.571 0.077 3 864 77 80 PHE N N 120.970 0.096 1 865 78 81 SER H H 8.241 0.008 1 866 78 81 SER HA H 4.616 0.006 1 867 78 81 SER HB2 H 3.695 0.007 1 868 78 81 SER HB3 H 3.695 0.007 1 869 78 81 SER C C 174.821 . 1 870 78 81 SER CA C 57.142 0.084 1 871 78 81 SER CB C 62.927 0.159 1 872 78 81 SER N N 118.425 0.104 1 873 79 82 PRO HA H 4.359 0.012 1 874 79 82 PRO HB2 H 1.936 0.004 2 875 79 82 PRO HB3 H 2.349 0.005 2 876 79 82 PRO HD2 H 3.953 0.004 2 877 79 82 PRO HD3 H 3.750 . 2 878 79 82 PRO C C 176.983 . 1 879 79 82 PRO CA C 65.153 0.126 1 880 79 82 PRO CB C 31.844 0.114 1 881 79 82 PRO CD C 50.873 0.044 1 882 80 83 ASP H H 7.704 0.006 1 883 80 83 ASP HA H 4.528 0.01 1 884 80 83 ASP HB2 H 2.536 0.003 2 885 80 83 ASP HB3 H 2.851 . 2 886 80 83 ASP C C 176.074 0.002 1 887 80 83 ASP CA C 53.436 0.111 1 888 80 83 ASP CB C 40.682 . 1 889 80 83 ASP N N 114.589 0.049 1 890 81 84 SER H H 8.010 0.005 1 891 81 84 SER HA H 4.123 0.004 1 892 81 84 SER HB2 H 4.621 . 1 893 81 84 SER HB3 H 4.621 . 1 894 81 84 SER CA C 59.723 0.083 1 895 81 84 SER CB C 62.502 . 1 896 81 84 SER N N 111.469 0.014 1 897 82 85 LYS HA H 4.363 0.006 1 898 82 85 LYS HB2 H 1.928 0.01 2 899 82 85 LYS HB3 H 1.643 0.003 2 900 82 85 LYS HG2 H 1.251 0.021 2 901 82 85 LYS HG3 H 1.379 0.012 2 902 82 85 LYS HD2 H 1.571 0.013 1 903 82 85 LYS HD3 H 1.578 0.004 1 904 82 85 LYS HE2 H 2.929 0.003 1 905 82 85 LYS HE3 H 2.923 0.013 1 906 82 85 LYS C C 175.273 0.023 1 907 82 85 LYS CA C 55.506 0.114 1 908 82 85 LYS CB C 32.025 0.052 1 909 82 85 LYS CG C 24.900 0.077 1 910 82 85 LYS CD C 29.153 0.016 1 911 82 85 LYS CE C 42.252 0.036 1 912 83 86 GLY H H 7.552 0.005 1 913 83 86 GLY HA2 H 4.304 0.016 2 914 83 86 GLY HA3 H 4.165 0.019 2 915 83 86 GLY C C 172.343 0.016 1 916 83 86 GLY CA C 45.934 0.104 1 917 83 86 GLY N N 106.363 0.046 1 918 84 87 ILE H H 8.360 0.009 1 919 84 87 ILE HA H 4.658 0.019 1 920 84 87 ILE HB H 1.510 0.007 1 921 84 87 ILE HG12 H 1.346 0.009 2 922 84 87 ILE HG13 H 0.974 0.013 2 923 84 87 ILE HG2 H 0.667 0.007 1 924 84 87 ILE HD1 H 0.598 0.012 1 925 84 87 ILE C C 172.550 0.007 1 926 84 87 ILE CA C 59.197 0.09 1 927 84 87 ILE CB C 42.679 0.109 1 928 84 87 ILE CG1 C 27.775 0.106 1 929 84 87 ILE CG2 C 17.556 0.09 1 930 84 87 ILE CD1 C 13.764 0.084 1 931 84 87 ILE N N 119.303 0.038 1 932 85 88 ASP H H 9.197 0.007 1 933 85 88 ASP HA H 5.222 0.006 1 934 85 88 ASP HB2 H 2.399 0.006 2 935 85 88 ASP HB3 H 1.618 0.006 2 936 85 88 ASP C C 174.360 0.005 1 937 85 88 ASP CA C 53.038 0.099 1 938 85 88 ASP CB C 42.590 0.087 1 939 85 88 ASP N N 126.503 0.065 1 940 86 89 ILE H H 8.956 0.005 1 941 86 89 ILE HA H 4.422 0.016 1 942 86 89 ILE HB H 1.573 0.014 1 943 86 89 ILE HG12 H 1.710 . 2 944 86 89 ILE HG13 H 1.460 0.005 2 945 86 89 ILE HG2 H 0.698 0.01 1 946 86 89 ILE HD1 H 0.602 0.009 1 947 86 89 ILE C C 174.241 0.027 1 948 86 89 ILE CA C 60.126 0.073 1 949 86 89 ILE CB C 39.883 0.069 1 950 86 89 ILE CG1 C 26.984 0.032 1 951 86 89 ILE CG2 C 17.247 0.044 1 952 86 89 ILE CD1 C 13.831 0.075 1 953 86 89 ILE N N 121.923 0.064 1 954 87 90 TRP H H 8.911 0.009 1 955 87 90 TRP HA H 5.309 0.012 1 956 87 90 TRP HB2 H 3.113 0.016 2 957 87 90 TRP HB3 H 2.868 0.012 2 958 87 90 TRP HD1 H 6.711 0.007 1 959 87 90 TRP HE1 H 10.199 0.004 1 960 87 90 TRP HE3 H 7.297 0.012 1 961 87 90 TRP HZ2 H 7.397 0.003 1 962 87 90 TRP HZ3 H 6.846 0.005 1 963 87 90 TRP HH2 H 7.030 0.003 1 964 87 90 TRP C C 175.968 0.015 1 965 87 90 TRP CA C 55.439 0.072 1 966 87 90 TRP CB C 30.319 0.208 1 967 87 90 TRP CD1 C 126.410 0.117 1 968 87 90 TRP CE3 C 119.869 0.037 1 969 87 90 TRP CZ2 C 114.688 0.015 1 970 87 90 TRP CZ3 C 121.007 0.181 1 971 87 90 TRP CH2 C 123.792 0.051 1 972 87 90 TRP N N 126.878 0.055 1 973 87 90 TRP NE1 N 129.056 0.033 1 974 88 91 ILE H H 9.373 0.005 1 975 88 91 ILE HA H 4.576 0.012 1 976 88 91 ILE HB H 2.017 0.012 1 977 88 91 ILE HG12 H 0.758 0.011 2 978 88 91 ILE HG13 H 1.474 0.011 2 979 88 91 ILE HG2 H 0.664 0.011 1 980 88 91 ILE HD1 H 0.613 0.006 1 981 88 91 ILE C C 173.241 . 1 982 88 91 ILE CA C 58.324 0.062 1 983 88 91 ILE CB C 39.984 0.096 1 984 88 91 ILE CG1 C 26.946 0.075 1 985 88 91 ILE CG2 C 18.250 0.045 1 986 88 91 ILE CD1 C 15.089 0.045 1 987 88 91 ILE N N 122.758 0.044 1 988 89 92 PRO HA H 5.265 0.015 1 989 89 92 PRO HB2 H 2.395 0.008 2 990 89 92 PRO HB3 H 1.743 0.016 2 991 89 92 PRO HG2 H 1.801 0.008 2 992 89 92 PRO HG3 H 1.960 0.007 2 993 89 92 PRO HD2 H 3.960 0.006 2 994 89 92 PRO HD3 H 3.392 0.012 2 995 89 92 PRO C C 175.647 0.001 1 996 89 92 PRO CA C 62.196 0.087 1 997 89 92 PRO CB C 31.780 0.068 1 998 89 92 PRO CG C 27.792 0.106 1 999 89 92 PRO CD C 51.676 0.041 1 1000 90 93 LEU H H 8.996 0.006 1 1001 90 93 LEU HA H 5.305 0.004 1 1002 90 93 LEU HB2 H 1.442 0.007 2 1003 90 93 LEU HB3 H 1.656 0.008 2 1004 90 93 LEU HG H 1.695 0.015 1 1005 90 93 LEU HD1 H 0.850 0.017 2 1006 90 93 LEU HD2 H 0.788 0.005 2 1007 90 93 LEU C C 176.820 0.024 1 1008 90 93 LEU CA C 53.573 0.059 1 1009 90 93 LEU CB C 46.367 0.084 1 1010 90 93 LEU CG C 26.959 0.08 1 1011 90 93 LEU CD1 C 25.172 0.002 2 1012 90 93 LEU CD2 C 25.291 0.029 2 1013 90 93 LEU N N 121.764 0.007 1 1014 91 94 GLU H H 8.849 0.004 1 1015 91 94 GLU HA H 5.270 0.012 1 1016 91 94 GLU HB2 H 1.960 0.016 1 1017 91 94 GLU HB3 H 1.960 0.016 1 1018 91 94 GLU HG2 H 2.186 0.011 1 1019 91 94 GLU HG3 H 2.186 0.011 1 1020 91 94 GLU C C 174.179 0.011 1 1021 91 94 GLU CA C 54.497 0.102 1 1022 91 94 GLU CB C 33.449 0.1 1 1023 91 94 GLU CG C 37.445 0.111 1 1024 91 94 GLU N N 121.767 0.013 1 1025 92 95 LEU H H 8.957 0.003 1 1026 92 95 LEU HA H 4.843 0.011 1 1027 92 95 LEU HB2 H 1.546 0.013 2 1028 92 95 LEU HB3 H 1.748 0.007 2 1029 92 95 LEU HG H 1.577 0.005 1 1030 92 95 LEU HD1 H 0.707 0.004 1 1031 92 95 LEU HD2 H 0.707 0.004 1 1032 92 95 LEU C C 174.370 0.008 1 1033 92 95 LEU CA C 54.577 0.061 1 1034 92 95 LEU CB C 44.558 0.084 1 1035 92 95 LEU CG C 26.540 0.084 1 1036 92 95 LEU CD1 C 26.401 . 1 1037 92 95 LEU CD2 C 26.401 . 1 1038 92 95 LEU N N 119.191 0.035 1 1039 93 96 SER H H 8.432 0.006 1 1040 93 96 SER HA H 5.626 0.007 1 1041 93 96 SER HB2 H 3.671 0.008 1 1042 93 96 SER HB3 H 3.671 0.008 1 1043 93 96 SER C C 173.484 0.01 1 1044 93 96 SER CA C 56.829 0.045 1 1045 93 96 SER CB C 65.064 0.115 1 1046 93 96 SER N N 114.607 0.045 1 1047 94 97 VAL H H 9.325 0.007 1 1048 94 97 VAL HA H 4.662 0.004 1 1049 94 97 VAL HB H 1.851 0.006 1 1050 94 97 VAL HG1 H 0.721 0.009 2 1051 94 97 VAL HG2 H 0.694 0.009 2 1052 94 97 VAL C C 173.827 0.002 1 1053 94 97 VAL CA C 61.000 0.067 1 1054 94 97 VAL CB C 34.219 0.114 1 1055 94 97 VAL CG1 C 20.714 0.103 2 1056 94 97 VAL CG2 C 20.832 0.049 2 1057 94 97 VAL N N 124.767 0.027 1 1058 95 98 TYR H H 9.187 0.006 1 1059 95 98 TYR HA H 5.113 0.009 1 1060 95 98 TYR HB2 H 2.755 0.006 1 1061 95 98 TYR HB3 H 2.755 0.006 1 1062 95 98 TYR HD1 H 6.861 0.007 3 1063 95 98 TYR HD2 H 6.861 0.007 3 1064 95 98 TYR HE1 H 6.594 0.011 3 1065 95 98 TYR HE2 H 6.594 0.011 3 1066 95 98 TYR C C 173.796 0.035 1 1067 95 98 TYR CA C 56.542 0.088 1 1068 95 98 TYR CB C 40.249 0.144 1 1069 95 98 TYR CD1 C 133.182 0.063 3 1070 95 98 TYR CD2 C 133.182 0.063 3 1071 95 98 TYR CE1 C 117.973 0.071 3 1072 95 98 TYR CE2 C 117.973 0.071 3 1073 95 98 TYR N N 129.709 0.035 1 1074 96 99 LEU H H 8.752 0.006 1 1075 96 99 LEU HA H 4.791 0.011 1 1076 96 99 LEU HB2 H 1.299 0.009 2 1077 96 99 LEU HB3 H 1.235 0.01 2 1078 96 99 LEU HG H 1.343 0.004 1 1079 96 99 LEU HD1 H 0.700 0.004 2 1080 96 99 LEU HD2 H 0.701 0.004 2 1081 96 99 LEU C C 174.018 0.008 1 1082 96 99 LEU CA C 53.745 0.083 1 1083 96 99 LEU CB C 45.874 0.111 1 1084 96 99 LEU CG C 27.150 0.089 1 1085 96 99 LEU CD1 C 26.572 0.035 2 1086 96 99 LEU CD2 C 25.725 0.03 2 1087 96 99 LEU N N 126.858 0.039 1 1088 97 100 LYS H H 8.808 0.009 1 1089 97 100 LYS HA H 4.483 0.016 1 1090 97 100 LYS HB2 H 1.852 0.01 2 1091 97 100 LYS HB3 H 1.382 0.004 2 1092 97 100 LYS HG2 H 1.393 0.02 1 1093 97 100 LYS HG3 H 1.396 0.019 1 1094 97 100 LYS HD2 H 1.616 . 1 1095 97 100 LYS HD3 H 1.616 . 1 1096 97 100 LYS HE2 H 2.930 0.012 1 1097 97 100 LYS HE3 H 2.931 0.011 1 1098 97 100 LYS C C 174.457 0.003 1 1099 97 100 LYS CA C 54.756 0.094 1 1100 97 100 LYS CB C 34.162 0.126 1 1101 97 100 LYS CG C 25.095 0.184 1 1102 97 100 LYS CD C 29.032 . 1 1103 97 100 LYS CE C 42.384 0.201 1 1104 97 100 LYS N N 129.361 0.035 1 1105 98 101 LEU H H 8.592 0.006 1 1106 98 101 LEU HA H 4.407 0.008 1 1107 98 101 LEU HB2 H 1.586 . 2 1108 98 101 LEU HB3 H 1.346 0.006 2 1109 98 101 LEU HG H 1.438 . 1 1110 98 101 LEU HD1 H 0.681 0.004 2 1111 98 101 LEU HD2 H 0.651 0.003 2 1112 98 101 LEU C C 176.259 0.002 1 1113 98 101 LEU CA C 53.667 0.08 1 1114 98 101 LEU CB C 43.370 0.079 1 1115 98 101 LEU CD1 C 25.958 0.093 2 1116 98 101 LEU CD2 C 23.704 0.02 2 1117 98 101 LEU N N 123.920 0.044 1 1118 99 102 LEU H H 8.586 0.009 1 1119 99 102 LEU HA H 3.908 0.004 1 1120 99 102 LEU HB2 H 2.094 0.004 2 1121 99 102 LEU HB3 H 1.431 0.022 2 1122 99 102 LEU HG H 1.466 0.005 1 1123 99 102 LEU HD1 H 0.847 0.006 2 1124 99 102 LEU HD2 H 0.819 0.004 2 1125 99 102 LEU CA C 58.142 0.012 1 1126 99 102 LEU CB C 39.500 0.096 1 1127 99 102 LEU CG C 27.714 0.026 1 1128 99 102 LEU CD1 C 25.855 0.023 2 1129 99 102 LEU CD2 C 23.180 0.041 2 1130 99 102 LEU N N 117.208 0.025 1 1131 100 103 ILE H H 7.553 0.007 1 1132 100 103 ILE HA H 4.115 0.005 1 1133 100 103 ILE HB H 2.101 0.013 1 1134 100 103 ILE HG12 H 1.030 0.008 2 1135 100 103 ILE HG13 H 1.194 0.004 2 1136 100 103 ILE HG2 H 0.916 0.006 1 1137 100 103 ILE HD1 H 0.819 0.005 1 1138 100 103 ILE C C 174.970 . 1 1139 100 103 ILE CA C 61.569 0.085 1 1140 100 103 ILE CB C 37.876 0.119 1 1141 100 103 ILE CG1 C 26.588 0.081 1 1142 100 103 ILE CG2 C 18.804 0.128 1 1143 100 103 ILE CD1 C 14.549 0.077 1 1144 100 103 ILE N N 113.228 0.028 1 1145 101 104 LEU H H 7.592 0.009 1 1146 101 104 LEU HA H 4.263 0.014 1 1147 101 104 LEU HB2 H 1.636 0.012 2 1148 101 104 LEU HB3 H 1.553 0.019 2 1149 101 104 LEU HG H 1.640 0.001 1 1150 101 104 LEU HD1 H 0.807 0.001 2 1151 101 104 LEU HD2 H 0.793 0.005 2 1152 101 104 LEU C C 175.934 . 1 1153 101 104 LEU CA C 54.239 0.047 1 1154 101 104 LEU CB C 44.126 0.089 1 1155 101 104 LEU CG C 27.245 0.055 1 1156 101 104 LEU CD1 C 25.681 0.007 2 1157 101 104 LEU CD2 C 24.465 0.125 2 1158 101 104 LEU N N 120.090 0.069 1 1159 102 105 GLU H H 8.342 0.014 1 1160 102 105 GLU HA H 4.373 0.005 1 1161 102 105 GLU HG2 H 2.240 . 1 1162 102 105 GLU HG3 H 2.240 . 1 1163 102 105 GLU CA C 55.348 0.088 1 1164 102 105 GLU CB C 28.256 . 1 1165 102 105 GLU CG C 36.226 . 1 1166 102 105 GLU N N 121.567 0.018 1 1167 103 106 PRO HA H 4.378 0.011 1 1168 103 106 PRO HB2 H 1.988 0.013 2 1169 103 106 PRO HB3 H 1.767 0.005 2 1170 103 106 PRO HG2 H 2.152 0.006 2 1171 103 106 PRO HG3 H 1.928 0.007 2 1172 103 106 PRO HD2 H 3.633 0.003 2 1173 103 106 PRO HD3 H 3.745 0.005 2 1174 103 106 PRO C C 175.948 0.016 1 1175 103 106 PRO CA C 63.594 0.092 1 1176 103 106 PRO CB C 32.207 0.063 1 1177 103 106 PRO CG C 28.006 0.18 1 1178 103 106 PRO CD C 50.188 0.029 1 1179 104 107 LEU H H 8.361 0.007 1 1180 104 107 LEU HA H 4.806 0.014 1 1181 104 107 LEU HB2 H 1.305 0.022 2 1182 104 107 LEU HB3 H 1.589 0.012 2 1183 104 107 LEU HG H 1.862 0.006 1 1184 104 107 LEU HD1 H 0.806 0.014 2 1185 104 107 LEU HD2 H 0.682 0.014 2 1186 104 107 LEU C C 175.315 0.003 1 1187 104 107 LEU CA C 53.504 0.094 1 1188 104 107 LEU CB C 45.807 0.078 1 1189 104 107 LEU CG C 26.148 0.014 1 1190 104 107 LEU CD1 C 24.396 0.202 2 1191 104 107 LEU CD2 C 25.794 0.12 2 1192 104 107 LEU N N 121.947 0.057 1 1193 105 108 THR H H 8.227 0.005 1 1194 105 108 THR HA H 5.329 0.006 1 1195 105 108 THR HB H 3.921 0.006 1 1196 105 108 THR HG2 H 1.070 0.007 1 1197 105 108 THR C C 173.701 0.024 1 1198 105 108 THR CA C 61.499 0.083 1 1199 105 108 THR CB C 70.446 0.089 1 1200 105 108 THR CG2 C 21.701 0.084 1 1201 105 108 THR N N 114.994 0.021 1 1202 106 109 LEU H H 9.466 0.006 1 1203 106 109 LEU HA H 5.063 0.009 1 1204 106 109 LEU HB2 H 1.253 0.016 2 1205 106 109 LEU HB3 H 1.469 0.011 2 1206 106 109 LEU HG H 1.481 0.002 1 1207 106 109 LEU HD1 H 0.657 0.009 2 1208 106 109 LEU HD2 H 0.665 0.007 2 1209 106 109 LEU C C 174.811 0.006 1 1210 106 109 LEU CA C 53.670 0.065 1 1211 106 109 LEU CB C 43.415 0.074 1 1212 106 109 LEU CG C 28.031 0.054 1 1213 106 109 LEU CD1 C 25.940 0.059 2 1214 106 109 LEU CD2 C 25.003 0.029 2 1215 106 109 LEU N N 127.393 0.033 1 1216 107 110 TYR H H 9.389 0.006 1 1217 107 110 TYR HA H 4.858 0.013 1 1218 107 110 TYR HB2 H 2.959 0.012 2 1219 107 110 TYR HB3 H 2.753 0.012 2 1220 107 110 TYR HD1 H 6.880 0.007 3 1221 107 110 TYR HD2 H 6.880 0.007 3 1222 107 110 TYR HE1 H 6.545 0.006 3 1223 107 110 TYR HE2 H 6.545 0.006 3 1224 107 110 TYR C C 173.936 0.003 1 1225 107 110 TYR CA C 57.366 0.091 1 1226 107 110 TYR CB C 40.053 0.145 1 1227 107 110 TYR CD1 C 133.131 0.046 3 1228 107 110 TYR CD2 C 133.131 0.046 3 1229 107 110 TYR CE1 C 117.713 0.033 3 1230 107 110 TYR CE2 C 117.713 0.033 3 1231 107 110 TYR N N 125.311 0.04 1 1232 108 111 VAL H H 8.613 0.007 1 1233 108 111 VAL HA H 4.718 0.015 1 1234 108 111 VAL HB H 1.823 0.014 1 1235 108 111 VAL HG1 H 0.696 0.017 2 1236 108 111 VAL HG2 H 0.780 0.014 2 1237 108 111 VAL C C 174.092 0.013 1 1238 108 111 VAL CA C 60.149 0.102 1 1239 108 111 VAL CB C 35.039 0.125 1 1240 108 111 VAL CG1 C 20.979 0.083 2 1241 108 111 VAL CG2 C 21.540 0.033 2 1242 108 111 VAL N N 126.461 0.044 1 1243 109 112 ARG H H 8.592 0.005 1 1244 109 112 ARG HA H 5.070 0.008 1 1245 109 112 ARG HB2 H 1.648 0.003 2 1246 109 112 ARG HB3 H 1.831 0.007 2 1247 109 112 ARG HG2 H 1.527 0.014 1 1248 109 112 ARG HG3 H 1.527 0.014 1 1249 109 112 ARG HD2 H 3.177 0.005 2 1250 109 112 ARG HD3 H 3.339 0.005 2 1251 109 112 ARG C C 175.904 0.002 1 1252 109 112 ARG CA C 53.761 0.167 1 1253 109 112 ARG CB C 31.773 0.08 1 1254 109 112 ARG CG C 28.715 0.085 1 1255 109 112 ARG CD C 42.433 0.051 1 1256 109 112 ARG N N 125.427 0.04 1 1257 110 113 THR H H 8.725 0.006 1 1258 110 113 THR HA H 4.955 0.007 1 1259 110 113 THR HB H 3.707 0.005 1 1260 110 113 THR HG2 H 0.889 0.006 1 1261 110 113 THR C C 170.062 0.009 1 1262 110 113 THR CA C 59.849 0.087 1 1263 110 113 THR CB C 71.052 0.075 1 1264 110 113 THR CG2 C 19.866 0.099 1 1265 110 113 THR N N 121.602 0.036 1 1266 111 114 ASP H H 8.374 0.004 1 1267 111 114 ASP HA H 5.523 0.01 1 1268 111 114 ASP HB2 H 2.630 0.017 2 1269 111 114 ASP HB3 H 2.739 0.019 2 1270 111 114 ASP C C 175.166 0.021 1 1271 111 114 ASP CA C 53.338 0.066 1 1272 111 114 ASP CB C 43.683 0.094 1 1273 111 114 ASP N N 127.116 0.041 1 1274 112 115 ILE H H 8.857 0.005 1 1275 112 115 ILE HA H 4.579 0.005 1 1276 112 115 ILE HB H 2.081 0.014 1 1277 112 115 ILE HG12 H 1.860 0.007 2 1278 112 115 ILE HG13 H 0.849 0.014 2 1279 112 115 ILE HG2 H 0.717 0.003 1 1280 112 115 ILE HD1 H 0.932 0.006 1 1281 112 115 ILE C C 174.279 0.003 1 1282 112 115 ILE CA C 61.151 0.086 1 1283 112 115 ILE CB C 38.478 0.082 1 1284 112 115 ILE CG1 C 26.898 0.068 1 1285 112 115 ILE CG2 C 17.760 0.078 1 1286 112 115 ILE CD1 C 14.953 0.048 1 1287 112 115 ILE N N 123.492 0.018 1 1288 113 116 ARG H H 9.059 0.006 1 1289 113 116 ARG HA H 4.390 0.006 1 1290 113 116 ARG HB2 H 1.347 0.008 2 1291 113 116 ARG HB3 H 0.708 0.01 2 1292 113 116 ARG HG2 H -0.269 0.01 2 1293 113 116 ARG HG3 H 0.369 0.005 2 1294 113 116 ARG HD2 H 2.569 0.005 1 1295 113 116 ARG HD3 H 2.569 0.005 1 1296 113 116 ARG C C 175.567 0.003 1 1297 113 116 ARG CA C 54.159 0.108 1 1298 113 116 ARG CB C 32.134 0.073 1 1299 113 116 ARG CG C 26.488 0.073 1 1300 113 116 ARG CD C 43.454 0.07 1 1301 113 116 ARG N N 128.317 0.017 1 1302 114 117 VAL H H 8.966 0.005 1 1303 114 117 VAL HA H 4.371 0.015 1 1304 114 117 VAL HB H 1.782 0.012 1 1305 114 117 VAL HG1 H 0.751 0.013 2 1306 114 117 VAL HG2 H 0.568 0.011 2 1307 114 117 VAL C C 174.192 0.002 1 1308 114 117 VAL CA C 60.649 0.055 1 1309 114 117 VAL CB C 33.898 0.092 1 1310 114 117 VAL CG1 C 22.425 0.093 2 1311 114 117 VAL CG2 C 22.072 0.071 2 1312 114 117 VAL N N 128.381 0.064 1 1313 115 118 GLN H H 8.217 0.006 1 1314 115 118 GLN HA H 4.991 0.011 1 1315 115 118 GLN HB2 H 1.764 0.012 2 1316 115 118 GLN HB3 H 1.581 0.016 2 1317 115 118 GLN HG2 H 1.937 0.017 2 1318 115 118 GLN HG3 H 1.966 0.028 2 1319 115 118 GLN HE21 H 6.690 0.004 1 1320 115 118 GLN HE22 H 8.008 0.005 1 1321 115 118 GLN C C 175.223 0.002 1 1322 115 118 GLN CA C 54.826 0.086 1 1323 115 118 GLN CB C 31.991 0.067 1 1324 115 118 GLN CG C 34.576 0.058 1 1325 115 118 GLN N N 125.061 0.038 1 1326 115 118 GLN NE2 N 112.673 0.015 1 1327 116 119 LEU H H 9.112 0.02 1 1328 116 119 LEU HA H 5.057 0.008 1 1329 116 119 LEU HB2 H 1.801 0.007 2 1330 116 119 LEU HB3 H 1.177 0.01 2 1331 116 119 LEU HG H 1.536 0.008 1 1332 116 119 LEU HD1 H 0.697 0.006 2 1333 116 119 LEU HD2 H 0.712 0.003 2 1334 116 119 LEU C C 176.439 0.011 1 1335 116 119 LEU CA C 53.032 0.06 1 1336 116 119 LEU CB C 42.936 0.113 1 1337 116 119 LEU CG C 26.844 0.054 1 1338 116 119 LEU CD1 C 25.360 0.19 2 1339 116 119 LEU CD2 C 23.742 0.076 2 1340 116 119 LEU N N 124.637 0.032 1 1341 117 120 ARG H H 8.966 0.004 1 1342 117 120 ARG HA H 4.821 0.022 1 1343 117 120 ARG HB2 H 1.806 0.015 2 1344 117 120 ARG HB3 H 1.596 0.012 2 1345 117 120 ARG HG2 H 1.340 0.014 2 1346 117 120 ARG HG3 H 1.479 0.021 2 1347 117 120 ARG HD2 H 3.080 0.009 1 1348 117 120 ARG HD3 H 3.080 0.009 1 1349 117 120 ARG C C 174.713 0.002 1 1350 117 120 ARG CA C 53.783 0.147 1 1351 117 120 ARG CB C 33.412 0.055 1 1352 117 120 ARG CG C 26.761 0.103 1 1353 117 120 ARG CD C 42.891 0.084 1 1354 117 120 ARG N N 121.786 0.031 1 1355 118 121 LEU H H 8.403 0.008 1 1356 118 121 LEU HA H 4.826 0.01 1 1357 118 121 LEU HB2 H 1.693 0.008 2 1358 118 121 LEU HB3 H 1.266 0.01 2 1359 118 121 LEU HG H 1.510 0.012 1 1360 118 121 LEU HD1 H 0.624 0.006 2 1361 118 121 LEU HD2 H 0.703 0.009 2 1362 118 121 LEU C C 176.170 0.003 1 1363 118 121 LEU CA C 55.135 0.139 1 1364 118 121 LEU CB C 43.595 0.081 1 1365 118 121 LEU CG C 26.977 0.069 1 1366 118 121 LEU CD1 C 25.815 0.047 2 1367 118 121 LEU CD2 C 25.546 0.048 2 1368 118 121 LEU N N 123.317 0.029 1 1369 119 122 GLU H H 9.001 0.007 1 1370 119 122 GLU HA H 4.758 0.01 1 1371 119 122 GLU HB2 H 1.695 0.01 2 1372 119 122 GLU HB3 H 2.001 0.01 2 1373 119 122 GLU HG2 H 2.102 0.011 1 1374 119 122 GLU HG3 H 2.102 0.011 1 1375 119 122 GLU C C 174.736 0.002 1 1376 119 122 GLU CA C 54.802 0.088 1 1377 119 122 GLU CB C 33.669 0.085 1 1378 119 122 GLU CG C 36.233 0.089 1 1379 119 122 GLU N N 126.194 0.029 1 1380 120 123 SER H H 8.434 0.005 1 1381 120 123 SER HA H 4.914 0.012 1 1382 120 123 SER HB2 H 3.460 0.015 1 1383 120 123 SER HB3 H 3.460 0.015 1 1384 120 123 SER C C 174.332 0.013 1 1385 120 123 SER CA C 57.150 0.05 1 1386 120 123 SER CB C 65.053 0.151 1 1387 120 123 SER N N 115.430 0.024 1 1388 121 124 ASP H H 8.410 0.009 1 1389 121 124 ASP HA H 4.747 0.015 1 1390 121 124 ASP HB2 H 2.934 0.007 2 1391 121 124 ASP HB3 H 2.578 0.009 2 1392 121 124 ASP C C 177.798 0.002 1 1393 121 124 ASP CA C 52.576 0.081 1 1394 121 124 ASP CB C 42.325 0.091 1 1395 121 124 ASP N N 123.991 0.032 1 1396 122 125 GLU H H 8.797 0.009 1 1397 122 125 GLU HA H 4.034 0.013 1 1398 122 125 GLU HB2 H 1.942 0.014 2 1399 122 125 GLU HB3 H 2.012 0.018 2 1400 122 125 GLU HG2 H 2.238 0.013 1 1401 122 125 GLU HG3 H 2.238 0.013 1 1402 122 125 GLU C C 176.690 0.002 1 1403 122 125 GLU CA C 58.577 0.08 1 1404 122 125 GLU CB C 29.464 0.063 1 1405 122 125 GLU CG C 36.410 0.026 1 1406 122 125 GLU N N 118.685 0.018 1 1407 123 126 ASP H H 8.162 0.003 1 1408 123 126 ASP HA H 4.604 0.004 1 1409 123 126 ASP HB2 H 2.708 0.005 2 1410 123 126 ASP HB3 H 2.620 0.007 2 1411 123 126 ASP C C 176.608 0.005 1 1412 123 126 ASP CA C 54.222 0.053 1 1413 123 126 ASP CB C 41.330 0.099 1 1414 123 126 ASP N N 118.424 0.022 1 1415 124 127 GLY H H 8.029 0.004 1 1416 124 127 GLY HA2 H 3.487 0.005 2 1417 124 127 GLY HA3 H 4.015 0.007 2 1418 124 127 GLY C C 174.014 0.002 1 1419 124 127 GLY CA C 45.448 0.112 1 1420 124 127 GLY N N 108.246 0.026 1 1421 125 128 LYS H H 7.914 0.005 1 1422 125 128 LYS HA H 4.240 0.012 1 1423 125 128 LYS HB2 H 1.839 0.015 2 1424 125 128 LYS HB3 H 1.740 0.015 2 1425 125 128 LYS HG2 H 1.333 0.016 2 1426 125 128 LYS HG3 H 1.280 0.026 2 1427 125 128 LYS HD2 H 1.616 0.019 1 1428 125 128 LYS HD3 H 1.617 0.019 1 1429 125 128 LYS HE2 H 2.941 0.019 1 1430 125 128 LYS HE3 H 2.943 0.019 1 1431 125 128 LYS C C 176.146 0.006 1 1432 125 128 LYS CA C 55.338 0.098 1 1433 125 128 LYS CB C 32.709 0.097 1 1434 125 128 LYS CG C 24.901 0.07 1 1435 125 128 LYS CD C 28.818 0.154 1 1436 125 128 LYS CE C 42.204 0.04 1 1437 125 128 LYS N N 121.244 0.03 1 1438 126 129 TYR H H 8.221 0.007 1 1439 126 129 TYR HA H 5.111 0.011 1 1440 126 129 TYR HB2 H 2.721 0.016 2 1441 126 129 TYR HB3 H 2.869 0.019 2 1442 126 129 TYR HD1 H 7.022 0.006 3 1443 126 129 TYR HD2 H 7.022 0.006 3 1444 126 129 TYR HE1 H 6.716 0.005 3 1445 126 129 TYR HE2 H 6.716 0.005 3 1446 126 129 TYR C C 175.665 0.008 1 1447 126 129 TYR CA C 58.342 0.069 1 1448 126 129 TYR CB C 41.249 0.159 1 1449 126 129 TYR CD1 C 133.073 0.031 3 1450 126 129 TYR CD2 C 133.073 0.031 3 1451 126 129 TYR CE1 C 118.407 0.112 3 1452 126 129 TYR CE2 C 118.407 0.112 3 1453 126 129 TYR N N 120.461 0.036 1 1454 127 130 ARG H H 9.050 0.009 1 1455 127 130 ARG HA H 4.567 0.016 1 1456 127 130 ARG HB2 H 1.744 0.011 1 1457 127 130 ARG HB3 H 1.744 0.011 1 1458 127 130 ARG HG2 H 1.312 0.016 2 1459 127 130 ARG HG3 H 1.446 0.014 2 1460 127 130 ARG HD2 H 3.128 0.011 1 1461 127 130 ARG HD3 H 3.128 0.011 1 1462 127 130 ARG C C 173.649 0.009 1 1463 127 130 ARG CA C 54.230 0.095 1 1464 127 130 ARG CB C 33.537 0.079 1 1465 127 130 ARG CG C 26.847 0.095 1 1466 127 130 ARG CD C 43.455 0.061 1 1467 127 130 ARG N N 118.958 0.051 1 1468 128 131 LEU H H 8.534 0.008 1 1469 128 131 LEU HA H 4.851 0.009 1 1470 128 131 LEU HB2 H 1.465 0.009 2 1471 128 131 LEU HB3 H 1.356 0.005 2 1472 128 131 LEU HG H 1.425 0.004 1 1473 128 131 LEU HD1 H 0.739 0.001 2 1474 128 131 LEU HD2 H 0.707 0.001 2 1475 128 131 LEU C C 175.308 0.004 1 1476 128 131 LEU CA C 53.480 0.082 1 1477 128 131 LEU CB C 43.149 0.072 1 1478 128 131 LEU CG C 26.592 0.101 1 1479 128 131 LEU CD1 C 25.313 0.104 2 1480 128 131 LEU CD2 C 25.052 . 2 1481 128 131 LEU N N 121.547 0.016 1 1482 129 132 ALA H H 9.150 0.013 1 1483 129 132 ALA HA H 4.565 0.015 1 1484 129 132 ALA HB H 1.209 0.01 1 1485 129 132 ALA C C 176.448 0.004 1 1486 129 132 ALA CA C 50.462 0.132 1 1487 129 132 ALA CB C 21.622 0.111 1 1488 129 132 ALA N N 127.732 0.095 1 1489 130 133 PHE H H 8.757 0.005 1 1490 130 133 PHE HA H 4.202 0.005 1 1491 130 133 PHE HB2 H 2.748 0.006 2 1492 130 133 PHE HB3 H 3.093 0.009 2 1493 130 133 PHE HD1 H 6.957 0.012 3 1494 130 133 PHE HD2 H 6.957 0.012 3 1495 130 133 PHE HE1 H 7.000 0.01 3 1496 130 133 PHE HE2 H 7.000 0.01 3 1497 130 133 PHE HZ H 7.107 0.012 1 1498 130 133 PHE C C 174.869 0.001 1 1499 130 133 PHE CA C 59.011 0.099 1 1500 130 133 PHE CB C 39.073 0.127 1 1501 130 133 PHE CD1 C 132.168 0.057 3 1502 130 133 PHE CD2 C 132.168 0.057 3 1503 130 133 PHE CE1 C 131.001 0.051 3 1504 130 133 PHE CE2 C 131.001 0.051 3 1505 130 133 PHE N N 123.531 0.032 1 1506 131 134 GLY H H 8.501 0.004 1 1507 131 134 GLY HA2 H 4.060 0.012 2 1508 131 134 GLY HA3 H 3.306 0.012 2 1509 131 134 GLY C C 172.711 0.002 1 1510 131 134 GLY CA C 46.011 0.133 1 1511 131 134 GLY N N 117.902 0.044 1 1512 132 135 HIS H H 7.267 0.006 1 1513 132 135 HIS HA H 4.341 0.009 1 1514 132 135 HIS HB2 H 2.670 0.009 2 1515 132 135 HIS HB3 H 2.912 0.011 2 1516 132 135 HIS HD2 H 6.681 0.007 1 1517 132 135 HIS HE1 H 7.586 0.008 1 1518 132 135 HIS C C 172.538 0.001 1 1519 132 135 HIS CA C 56.813 0.047 1 1520 132 135 HIS CB C 32.910 0.082 1 1521 132 135 HIS CD2 C 121.068 0.177 1 1522 132 135 HIS CE1 C 138.773 0.024 1 1523 132 135 HIS N N 118.052 0.008 1 1524 133 136 CYS H H 7.698 0.009 1 1525 133 136 CYS HA H 5.285 0.012 1 1526 133 136 CYS HB2 H 3.197 0.015 2 1527 133 136 CYS HB3 H 2.926 0.006 2 1528 133 136 CYS CA C 55.116 0.202 1 1529 133 136 CYS CB C 43.566 0.097 1 1530 133 136 CYS N N 124.833 0.063 1 1531 134 137 SER H H 8.613 0.005 1 1532 134 137 SER HA H 4.579 0.009 1 1533 134 137 SER HB2 H 3.817 0.021 2 1534 134 137 SER HB3 H 3.787 0.025 2 1535 134 137 SER C C 171.029 0.002 1 1536 134 137 SER CA C 57.697 0.067 1 1537 134 137 SER CB C 65.519 0.079 1 1538 134 137 SER N N 121.982 0.038 1 1539 135 138 LEU H H 8.615 0.004 1 1540 135 138 LEU HA H 5.166 0.009 1 1541 135 138 LEU HB2 H 1.523 0.017 2 1542 135 138 LEU HB3 H 1.345 0.017 2 1543 135 138 LEU HG H 1.656 0.013 1 1544 135 138 LEU HD1 H 0.709 0.01 2 1545 135 138 LEU HD2 H 0.756 0.013 2 1546 135 138 LEU C C 176.011 0.002 1 1547 135 138 LEU CA C 55.541 0.048 1 1548 135 138 LEU CB C 43.914 0.149 1 1549 135 138 LEU CG C 31.087 0.058 1 1550 135 138 LEU CD1 C 26.671 0.056 2 1551 135 138 LEU CD2 C 24.836 0.116 2 1552 135 138 LEU N N 121.876 0.072 1 1553 136 139 LEU H H 8.882 0.006 1 1554 136 139 LEU HA H 4.971 0.013 1 1555 136 139 LEU HB2 H 1.657 0.017 2 1556 136 139 LEU HB3 H 1.599 0.024 2 1557 136 139 LEU HG H 1.658 0.005 1 1558 136 139 LEU HD1 H 0.967 0.012 1 1559 136 139 LEU HD2 H 0.967 0.013 1 1560 136 139 LEU C C 175.465 . 1 1561 136 139 LEU CA C 51.732 0.104 1 1562 136 139 LEU CB C 43.665 0.055 1 1563 136 139 LEU CG C 27.989 0.036 1 1564 136 139 LEU CD1 C 25.331 0.021 1 1565 136 139 LEU CD2 C 25.331 0.021 1 1566 136 139 LEU N N 121.278 0.032 1 1567 137 140 PRO HA H 4.434 0.012 1 1568 137 140 PRO HB2 H 2.071 0.011 2 1569 137 140 PRO HB3 H 1.982 0.009 2 1570 137 140 PRO HG2 H 2.324 0.003 2 1571 137 140 PRO HG3 H 1.900 0.004 2 1572 137 140 PRO HD2 H 3.776 0.007 2 1573 137 140 PRO HD3 H 3.828 0.009 2 1574 137 140 PRO C C 175.755 0.004 1 1575 137 140 PRO CA C 63.046 0.083 1 1576 137 140 PRO CB C 31.031 0.071 1 1577 137 140 PRO CG C 27.450 0.108 1 1578 137 140 PRO CD C 51.107 0.036 1 1579 138 141 ARG H H 8.814 0.007 1 1580 138 141 ARG HA H 4.439 0.003 1 1581 138 141 ARG HB2 H 1.814 0.008 2 1582 138 141 ARG HB3 H 1.523 0.009 2 1583 138 141 ARG HG2 H 1.551 0.001 1 1584 138 141 ARG HG3 H 1.551 0.001 1 1585 138 141 ARG HD2 H 3.066 0.013 2 1586 138 141 ARG HD3 H 2.897 0.013 2 1587 138 141 ARG C C 176.159 0.004 1 1588 138 141 ARG CA C 55.174 0.113 1 1589 138 141 ARG CB C 31.488 0.092 1 1590 138 141 ARG CG C 25.660 0.137 1 1591 138 141 ARG CD C 42.671 0.093 1 1592 138 141 ARG N N 123.064 0.022 1 1593 139 142 ALA H H 7.798 0.003 1 1594 139 142 ALA HA H 4.521 0.011 1 1595 139 142 ALA HB H 1.387 0.01 1 1596 139 142 ALA C C 175.415 0.005 1 1597 139 142 ALA CA C 53.065 0.097 1 1598 139 142 ALA CB C 21.955 0.102 1 1599 139 142 ALA N N 119.844 0.038 1 1600 140 143 ILE H H 8.269 0.005 1 1601 140 143 ILE HA H 4.872 0.012 1 1602 140 143 ILE HB H 1.750 0.008 1 1603 140 143 ILE HG12 H 0.988 0.005 2 1604 140 143 ILE HG13 H 1.637 0.002 2 1605 140 143 ILE HG2 H 0.750 0.007 1 1606 140 143 ILE HD1 H 0.841 0.007 1 1607 140 143 ILE C C 175.122 0.014 1 1608 140 143 ILE CA C 61.603 0.076 1 1609 140 143 ILE CB C 40.591 0.073 1 1610 140 143 ILE CG1 C 27.741 0.105 1 1611 140 143 ILE CG2 C 18.152 0.039 1 1612 140 143 ILE CD1 C 14.245 0.043 1 1613 140 143 ILE N N 121.685 0.032 1 1614 141 144 GLU H H 9.344 0.007 1 1615 141 144 GLU HA H 4.829 0.014 1 1616 141 144 GLU HB2 H 1.912 0.015 2 1617 141 144 GLU HB3 H 2.066 0.012 2 1618 141 144 GLU HG2 H 2.191 0.013 1 1619 141 144 GLU HG3 H 2.191 0.013 1 1620 141 144 GLU C C 175.340 0.021 1 1621 141 144 GLU CA C 54.238 0.112 1 1622 141 144 GLU CB C 34.224 0.107 1 1623 141 144 GLU CG C 35.923 0.116 1 1624 141 144 GLU N N 124.883 0.039 1 1625 142 145 LEU H H 8.981 0.005 1 1626 142 145 LEU HA H 4.470 0.018 1 1627 142 145 LEU HB2 H 1.408 0.014 2 1628 142 145 LEU HB3 H 1.818 0.01 2 1629 142 145 LEU HG H 1.518 0.011 1 1630 142 145 LEU HD1 H 0.923 0.014 2 1631 142 145 LEU HD2 H 0.807 0.015 2 1632 142 145 LEU C C 176.266 0.006 1 1633 142 145 LEU CA C 55.913 0.073 1 1634 142 145 LEU CB C 42.382 0.084 1 1635 142 145 LEU CG C 27.345 0.003 1 1636 142 145 LEU CD1 C 25.101 0.112 2 1637 142 145 LEU CD2 C 25.919 0.151 2 1638 142 145 LEU N N 125.704 0.022 1 1639 143 146 GLN H H 8.927 0.004 1 1640 143 146 GLN HA H 4.434 0.013 1 1641 143 146 GLN HB2 H 1.929 0.013 1 1642 143 146 GLN HB3 H 1.929 0.013 1 1643 143 146 GLN HG2 H 2.223 0.009 2 1644 143 146 GLN HG3 H 2.299 0.01 2 1645 143 146 GLN HE21 H 6.675 0.008 1 1646 143 146 GLN HE22 H 7.188 0.004 1 1647 143 146 GLN C C 175.772 0.01 1 1648 143 146 GLN CA C 56.454 0.104 1 1649 143 146 GLN CB C 30.472 0.074 1 1650 143 146 GLN CG C 34.208 0.093 1 1651 143 146 GLN N N 127.450 0.02 1 1652 143 146 GLN NE2 N 111.054 0.029 1 1653 144 147 SER H H 8.083 0.006 1 1654 144 147 SER HA H 4.518 0.008 1 1655 144 147 SER HB2 H 3.867 0.009 2 1656 144 147 SER HB3 H 3.803 0.035 2 1657 144 147 SER CA C 58.275 0.07 1 1658 144 147 SER CB C 64.348 0.219 1 1659 144 147 SER N N 114.553 0.021 1 1660 146 149 ASN HA H 5.021 0.003 1 1661 146 149 ASN HB2 H 2.708 0.001 2 1662 146 149 ASN HB3 H 2.955 0.009 2 1663 146 149 ASN CA C 50.754 0.072 1 1664 146 149 ASN CB C 39.159 0.085 1 1665 147 150 PRO HA H 4.289 0.014 1 1666 147 150 PRO HB2 H 1.931 0.012 2 1667 147 150 PRO HB3 H 2.199 0.011 2 1668 147 150 PRO HG2 H 1.981 0.013 1 1669 147 150 PRO HG3 H 1.981 0.013 1 1670 147 150 PRO HD2 H 3.900 0.015 2 1671 147 150 PRO HD3 H 3.802 0.005 2 1672 147 150 PRO C C 176.693 . 1 1673 147 150 PRO CA C 63.687 0.098 1 1674 147 150 PRO CB C 31.950 0.109 1 1675 147 150 PRO CG C 27.218 0.028 1 1676 147 150 PRO CD C 50.642 0.035 1 1677 148 151 LEU H H 8.013 0.006 1 1678 148 151 LEU HA H 4.319 0.018 1 1679 148 151 LEU HB2 H 1.707 0.004 2 1680 148 151 LEU HB3 H 1.566 0.007 2 1681 148 151 LEU HG H 1.643 0.002 1 1682 148 151 LEU HD1 H 0.908 . 2 1683 148 151 LEU HD2 H 0.825 0.008 2 1684 148 151 LEU C C 177.816 0.005 1 1685 148 151 LEU CA C 54.898 0.105 1 1686 148 151 LEU CB C 41.948 0.068 1 1687 148 151 LEU CG C 27.260 0.018 1 1688 148 151 LEU CD1 C 22.930 0.112 2 1689 148 151 LEU CD2 C 25.078 . 2 1690 148 151 LEU N N 119.566 0.021 1 1691 150 153 LEU HA H 4.382 0.011 1 1692 150 153 LEU HB2 H 1.741 0.008 2 1693 150 153 LEU HB3 H 1.560 0.005 2 1694 150 153 LEU HD2 H 0.893 0.005 1 1695 150 153 LEU CB C 40.509 0.001 1 1696 150 153 LEU CD2 C 23.919 0.006 1 1697 151 154 PRO HA H 4.260 0.009 1 1698 151 154 PRO HB2 H 1.830 0.011 2 1699 151 154 PRO HB3 H 2.150 0.006 2 1700 151 154 PRO HD2 H 3.769 0.011 1 1701 151 154 PRO HD3 H 3.766 0.006 1 1702 151 154 PRO C C 177.382 0.004 1 1703 151 154 PRO CA C 65.010 0.069 1 1704 151 154 PRO CB C 31.392 0.063 1 1705 151 154 PRO CD C 50.185 0.047 1 1706 152 155 VAL H H 7.147 0.008 1 1707 152 155 VAL HA H 3.614 0.004 1 1708 152 155 VAL HB H 2.135 0.006 1 1709 152 155 VAL HG1 H 0.871 0.015 2 1710 152 155 VAL HG2 H 0.998 0.005 2 1711 152 155 VAL CA C 65.604 0.068 1 1712 152 155 VAL CB C 32.048 0.04 1 1713 152 155 VAL CG1 C 21.761 0.048 2 1714 152 155 VAL CG2 C 22.913 0.052 2 1715 152 155 VAL N N 115.879 0.026 1 1716 154 157 ALA HA H 4.207 0.007 1 1717 154 157 ALA HB H 1.465 0.011 1 1718 154 157 ALA C C 179.805 . 1 1719 154 157 ALA CA C 54.532 0.091 1 1720 154 157 ALA CB C 18.913 0.103 1 1721 155 158 VAL H H 7.462 0.005 1 1722 155 158 VAL HA H 4.177 0.006 1 1723 155 158 VAL HB H 2.273 0.011 1 1724 155 158 VAL HG1 H 0.932 0.01 2 1725 155 158 VAL HG2 H 0.947 0.004 2 1726 155 158 VAL C C 177.136 . 1 1727 155 158 VAL CA C 62.798 0.107 1 1728 155 158 VAL CB C 32.691 0.064 1 1729 155 158 VAL CG1 C 21.378 0.045 2 1730 155 158 VAL CG2 C 20.397 0.037 2 1731 155 158 VAL N N 110.547 0.043 1 1732 156 159 LEU H H 8.049 0.007 1 1733 156 159 LEU HA H 3.869 0.007 1 1734 156 159 LEU HB2 H 1.740 0.005 2 1735 156 159 LEU HB3 H 1.659 0.004 2 1736 156 159 LEU HG H 1.747 0.002 1 1737 156 159 LEU HD1 H 0.849 0.005 2 1738 156 159 LEU HD2 H 0.860 0.013 2 1739 156 159 LEU C C 178.441 0.003 1 1740 156 159 LEU CA C 58.878 0.07 1 1741 156 159 LEU CB C 41.336 0.067 1 1742 156 159 LEU CG C 26.774 0.039 1 1743 156 159 LEU CD1 C 24.853 0.076 2 1744 156 159 LEU CD2 C 23.976 0.093 2 1745 156 159 LEU N N 123.466 0.039 1 1746 157 160 GLY H H 8.572 0.007 1 1747 157 160 GLY HA2 H 3.851 0.004 1 1748 157 160 GLY HA3 H 3.851 0.004 1 1749 157 160 GLY C C 176.596 . 1 1750 157 160 GLY CA C 47.249 0.061 1 1751 157 160 GLY N N 105.952 0.034 1 1752 158 161 THR H H 7.643 0.007 1 1753 158 161 THR HA H 4.025 0.006 1 1754 158 161 THR HB H 4.198 0.004 1 1755 158 161 THR HG2 H 1.158 0.005 1 1756 158 161 THR C C 176.921 . 1 1757 158 161 THR CA C 66.708 0.112 1 1758 158 161 THR CB C 68.720 0.138 1 1759 158 161 THR CG2 C 22.005 0.092 1 1760 158 161 THR N N 119.045 0.037 1 1761 159 162 ILE H H 7.822 0.006 1 1762 159 162 ILE HA H 3.412 0.016 1 1763 159 162 ILE HB H 1.956 0.009 1 1764 159 162 ILE HG12 H 1.707 0.001 1 1765 159 162 ILE HG13 H 1.706 0.002 1 1766 159 162 ILE HG2 H 0.687 0.005 1 1767 159 162 ILE HD1 H 0.611 0.009 1 1768 159 162 ILE C C 177.109 0.006 1 1769 159 162 ILE CA C 66.211 0.092 1 1770 159 162 ILE CB C 37.904 0.083 1 1771 159 162 ILE CG1 C 29.200 0.057 1 1772 159 162 ILE CG2 C 17.385 0.02 1 1773 159 162 ILE CD1 C 13.844 0.079 1 1774 159 162 ILE N N 122.652 0.017 1 1775 160 163 GLU H H 8.863 0.004 1 1776 160 163 GLU HA H 3.666 0.011 1 1777 160 163 GLU HB2 H 2.146 0.021 2 1778 160 163 GLU HB3 H 2.005 0.021 2 1779 160 163 GLU HG2 H 2.345 0.011 2 1780 160 163 GLU HG3 H 2.000 0.007 2 1781 160 163 GLU C C 179.375 0.005 1 1782 160 163 GLU CA C 60.610 0.069 1 1783 160 163 GLU CB C 29.651 0.059 1 1784 160 163 GLU CG C 36.265 0.092 1 1785 160 163 GLU N N 119.765 0.034 1 1786 161 164 ASN H H 8.065 0.005 1 1787 161 164 ASN HA H 4.425 0.008 1 1788 161 164 ASN HB2 H 2.807 0.007 2 1789 161 164 ASN HB3 H 2.866 0.008 2 1790 161 164 ASN C C 177.301 0.002 1 1791 161 164 ASN CA C 56.526 0.076 1 1792 161 164 ASN CB C 38.734 0.074 1 1793 161 164 ASN N N 117.969 0.039 1 1794 162 165 ALA H H 7.992 0.004 1 1795 162 165 ALA HA H 4.162 0.011 1 1796 162 165 ALA HB H 1.370 0.012 1 1797 162 165 ALA C C 181.103 0.001 1 1798 162 165 ALA CA C 55.100 0.093 1 1799 162 165 ALA CB C 18.075 0.091 1 1800 162 165 ALA N N 122.200 0.031 1 1801 163 166 LEU H H 8.676 0.005 1 1802 163 166 LEU HA H 4.103 0.015 1 1803 163 166 LEU HB2 H 1.511 0.015 2 1804 163 166 LEU HB3 H 1.796 0.013 2 1805 163 166 LEU HG H 1.684 0.013 1 1806 163 166 LEU HD1 H 0.751 0.01 2 1807 163 166 LEU HD2 H 0.764 0.022 2 1808 163 166 LEU C C 178.634 0.025 1 1809 163 166 LEU CA C 57.872 0.119 1 1810 163 166 LEU CB C 42.018 0.073 1 1811 163 166 LEU CG C 27.647 0.071 1 1812 163 166 LEU CD1 C 24.919 0.032 2 1813 163 166 LEU CD2 C 25.246 0.049 2 1814 163 166 LEU N N 119.355 0.014 1 1815 164 167 GLY H H 8.482 0.006 1 1816 164 167 GLY HA2 H 3.572 0.012 2 1817 164 167 GLY HA3 H 4.116 0.01 2 1818 164 167 GLY C C 175.778 0.02 1 1819 164 167 GLY CA C 47.961 0.111 1 1820 164 167 GLY N N 107.049 0.036 1 1821 165 168 ASN H H 7.837 0.005 1 1822 165 168 ASN HA H 4.529 0.011 1 1823 165 168 ASN HB2 H 2.852 0.013 1 1824 165 168 ASN HB3 H 2.852 0.012 1 1825 165 168 ASN HD21 H 7.609 0.004 1 1826 165 168 ASN HD22 H 6.819 0.004 1 1827 165 168 ASN C C 176.216 0.014 1 1828 165 168 ASN CA C 56.244 0.064 1 1829 165 168 ASN CB C 38.562 0.122 1 1830 165 168 ASN N N 119.574 0.035 1 1831 165 168 ASN ND2 N 112.578 0.017 1 1832 166 169 PHE H H 7.972 0.007 1 1833 166 169 PHE HA H 4.648 0.01 1 1834 166 169 PHE HB2 H 3.312 0.01 1 1835 166 169 PHE HB3 H 3.312 0.01 1 1836 166 169 PHE HD1 H 7.177 0.006 3 1837 166 169 PHE HD2 H 7.177 0.006 3 1838 166 169 PHE HE1 H 7.066 0.007 3 1839 166 169 PHE HE2 H 7.066 0.007 3 1840 166 169 PHE C C 177.210 0.005 1 1841 166 169 PHE CA C 60.681 0.054 1 1842 166 169 PHE CB C 40.180 0.126 1 1843 166 169 PHE CD1 C 132.507 0.043 3 1844 166 169 PHE CD2 C 132.507 0.043 3 1845 166 169 PHE CE1 C 130.660 0.09 3 1846 166 169 PHE CE2 C 130.660 0.09 3 1847 166 169 PHE N N 121.169 0.044 1 1848 167 170 ILE H H 8.454 0.004 1 1849 167 170 ILE HA H 3.374 0.01 1 1850 167 170 ILE HB H 2.038 0.012 1 1851 167 170 ILE HG12 H 1.942 0.014 2 1852 167 170 ILE HG13 H 1.056 0.004 2 1853 167 170 ILE HG2 H 0.730 0.005 1 1854 167 170 ILE HD1 H 0.759 0.004 1 1855 167 170 ILE C C 176.066 0.003 1 1856 167 170 ILE CA C 64.781 0.091 1 1857 167 170 ILE CB C 38.116 0.052 1 1858 167 170 ILE CG1 C 29.178 0.08 1 1859 167 170 ILE CG2 C 18.774 0.056 1 1860 167 170 ILE CD1 C 14.008 0.072 1 1861 167 170 ILE N N 118.652 0.033 1 1862 168 171 THR H H 7.822 0.004 1 1863 168 171 THR HA H 4.052 0.006 1 1864 168 171 THR HB H 4.322 0.005 1 1865 168 171 THR HG2 H 1.404 0.009 1 1866 168 171 THR C C 176.715 0.025 1 1867 168 171 THR CA C 65.561 0.083 1 1868 168 171 THR CB C 69.430 0.173 1 1869 168 171 THR CG2 C 21.956 0.11 1 1870 168 171 THR N N 107.997 0.051 1 1871 169 172 GLU H H 8.398 0.004 1 1872 169 172 GLU HA H 4.425 0.017 1 1873 169 172 GLU HB2 H 1.977 0.011 2 1874 169 172 GLU HB3 H 2.026 0.016 2 1875 169 172 GLU HG2 H 2.241 0.012 2 1876 169 172 GLU HG3 H 2.317 0.015 2 1877 169 172 GLU C C 177.179 0.007 1 1878 169 172 GLU CA C 57.666 0.09 1 1879 169 172 GLU CB C 30.138 0.067 1 1880 169 172 GLU CG C 36.125 0.12 1 1881 169 172 GLU N N 119.558 0.021 1 1882 170 173 ASP H H 8.010 0.006 1 1883 170 173 ASP HA H 4.437 0.002 1 1884 170 173 ASP HB2 H 2.132 0.007 2 1885 170 173 ASP HB3 H 2.271 0.02 2 1886 170 173 ASP C C 179.282 0.008 1 1887 170 173 ASP CA C 57.238 0.131 1 1888 170 173 ASP CB C 41.554 0.083 1 1889 170 173 ASP N N 119.823 0.054 1 1890 171 174 LEU H H 8.041 0.009 1 1891 171 174 LEU HA H 3.823 0.015 1 1892 171 174 LEU HB2 H 1.674 0.012 2 1893 171 174 LEU HB3 H 1.524 0.021 2 1894 171 174 LEU HG H 1.268 0.011 1 1895 171 174 LEU HD1 H 0.712 0.013 2 1896 171 174 LEU HD2 H 0.601 0.01 2 1897 171 174 LEU C C 179.014 0.002 1 1898 171 174 LEU CA C 58.013 0.096 1 1899 171 174 LEU CB C 40.661 0.069 1 1900 171 174 LEU CG C 26.642 0.047 1 1901 171 174 LEU CD1 C 24.343 0.09 2 1902 171 174 LEU CD2 C 24.597 0.027 2 1903 171 174 LEU N N 119.204 0.031 1 1904 172 175 GLY H H 7.545 0.005 1 1905 172 175 GLY HA2 H 3.594 0.013 2 1906 172 175 GLY HA3 H 3.850 0.006 2 1907 172 175 GLY C C 175.733 0.008 1 1908 172 175 GLY CA C 48.154 0.114 1 1909 172 175 GLY N N 105.791 0.029 1 1910 173 176 ALA H H 7.582 0.004 1 1911 173 176 ALA HA H 4.110 0.013 1 1912 173 176 ALA HB H 1.423 0.01 1 1913 173 176 ALA C C 179.607 0.003 1 1914 173 176 ALA CA C 54.489 0.133 1 1915 173 176 ALA CB C 18.117 0.108 1 1916 173 176 ALA N N 122.617 0.012 1 1917 174 177 GLY H H 7.656 0.01 1 1918 174 177 GLY HA2 H 3.486 0.013 2 1919 174 177 GLY HA3 H 4.154 0.011 2 1920 174 177 GLY C C 175.336 0.014 1 1921 174 177 GLY CA C 45.508 0.091 1 1922 174 177 GLY N N 101.436 4.323 1 1923 175 178 LEU H H 7.912 0.005 1 1924 175 178 LEU HA H 4.571 0.015 1 1925 175 178 LEU HB2 H 1.729 0.019 2 1926 175 178 LEU HB3 H 1.507 0.012 2 1927 175 178 LEU HG H 1.756 0.006 1 1928 175 178 LEU HD1 H 0.695 0.018 2 1929 175 178 LEU HD2 H 0.412 0.012 2 1930 175 178 LEU C C 177.561 0.012 1 1931 175 178 LEU CA C 56.387 0.089 1 1932 175 178 LEU CB C 44.039 0.09 1 1933 175 178 LEU CG C 26.497 0.047 1 1934 175 178 LEU CD1 C 25.496 0.061 2 1935 175 178 LEU CD2 C 21.754 0.045 2 1936 175 178 LEU N N 118.754 0.028 1 1937 176 179 CYS H H 8.533 0.004 1 1938 176 179 CYS HA H 4.508 0.013 1 1939 176 179 CYS HB2 H 2.964 0.006 2 1940 176 179 CYS HB3 H 3.474 0.007 2 1941 176 179 CYS C C 174.029 . 1 1942 176 179 CYS CA C 61.298 0.111 1 1943 176 179 CYS CB C 39.175 0.139 1 1944 176 179 CYS N N 116.922 0.033 1 1945 177 180 PRO HA H 4.204 0.011 1 1946 177 180 PRO HB2 H 2.295 0.014 2 1947 177 180 PRO HB3 H 1.819 0.028 2 1948 177 180 PRO HG2 H 2.171 0.018 2 1949 177 180 PRO HG3 H 1.933 0.001 2 1950 177 180 PRO HD2 H 3.381 0.012 2 1951 177 180 PRO HD3 H 3.633 0.005 2 1952 177 180 PRO C C 179.808 0.012 1 1953 177 180 PRO CA C 66.759 0.112 1 1954 177 180 PRO CB C 30.646 0.102 1 1955 177 180 PRO CG C 28.319 0.24 1 1956 177 180 PRO CD C 51.224 0.03 1 1957 178 181 THR H H 7.453 0.006 1 1958 178 181 THR HA H 3.983 0.006 1 1959 178 181 THR HB H 4.254 0.005 1 1960 178 181 THR HG2 H 1.321 0.004 1 1961 178 181 THR C C 176.351 0.005 1 1962 178 181 THR CA C 66.995 0.11 1 1963 178 181 THR CB C 68.419 0.176 1 1964 178 181 THR CG2 C 21.469 0.077 1 1965 178 181 THR N N 115.165 0.044 1 1966 179 182 LEU H H 7.614 0.003 1 1967 179 182 LEU HA H 3.949 0.013 1 1968 179 182 LEU HB2 H 2.319 0.018 2 1969 179 182 LEU HB3 H 1.299 0.015 2 1970 179 182 LEU HG H 1.776 0.019 1 1971 179 182 LEU HD1 H 0.465 0.012 2 1972 179 182 LEU HD2 H 0.849 0.013 2 1973 179 182 LEU C C 177.639 0.001 1 1974 179 182 LEU CA C 57.789 0.084 1 1975 179 182 LEU CB C 40.915 0.094 1 1976 179 182 LEU CG C 27.088 0.019 1 1977 179 182 LEU CD1 C 23.707 0.049 2 1978 179 182 LEU CD2 C 26.580 0.068 2 1979 179 182 LEU N N 122.581 0.034 1 1980 180 183 ASN H H 7.973 0.007 1 1981 180 183 ASN HA H 3.246 0.007 1 1982 180 183 ASN HB2 H 2.594 0.006 2 1983 180 183 ASN HB3 H 1.570 0.005 2 1984 180 183 ASN HD21 H 6.679 0.006 1 1985 180 183 ASN HD22 H 6.526 0.005 1 1986 180 183 ASN C C 177.901 0.004 1 1987 180 183 ASN CA C 56.169 0.093 1 1988 180 183 ASN CB C 37.932 0.084 1 1989 180 183 ASN N N 118.412 0.041 1 1990 180 183 ASN ND2 N 110.363 0.016 1 1991 181 184 SER H H 7.560 0.004 1 1992 181 184 SER HB2 H 3.922 0.007 1 1993 181 184 SER HB3 H 3.922 0.007 1 1994 181 184 SER C C 176.262 . 1 1995 181 184 SER CA C 61.847 0.024 1 1996 181 184 SER CB C 62.631 0.023 1 1997 181 184 SER N N 115.385 0.027 1 1998 182 185 LEU H H 7.951 0.004 1 1999 182 185 LEU HA H 4.026 0.013 1 2000 182 185 LEU HB2 H 1.692 0.015 2 2001 182 185 LEU HB3 H 1.591 0.018 2 2002 182 185 LEU HG H 1.640 0.009 1 2003 182 185 LEU HD1 H 0.754 0.011 2 2004 182 185 LEU HD2 H 0.757 0.018 2 2005 182 185 LEU C C 179.998 0.012 1 2006 182 185 LEU CA C 58.254 0.087 1 2007 182 185 LEU CB C 42.232 0.088 1 2008 182 185 LEU CG C 26.765 0.075 1 2009 182 185 LEU CD1 C 24.490 0.005 2 2010 182 185 LEU CD2 C 25.261 0.039 2 2011 182 185 LEU N N 121.244 0.04 1 2012 183 186 VAL H H 8.176 0.006 1 2013 183 186 VAL HA H 3.582 0.012 1 2014 183 186 VAL HB H 2.205 0.012 1 2015 183 186 VAL HG1 H 0.921 0.014 2 2016 183 186 VAL HG2 H 1.047 0.012 2 2017 183 186 VAL C C 178.022 0.022 1 2018 183 186 VAL CA C 65.704 0.071 1 2019 183 186 VAL CB C 31.281 0.104 1 2020 183 186 VAL CG1 C 21.494 0.08 2 2021 183 186 VAL CG2 C 22.302 0.072 2 2022 183 186 VAL N N 116.284 0.018 1 2023 184 187 SER H H 8.031 0.004 1 2024 184 187 SER HA H 4.283 0.015 1 2025 184 187 SER HB2 H 3.900 0.012 1 2026 184 187 SER HB3 H 3.898 0.01 1 2027 184 187 SER C C 174.360 . 1 2028 184 187 SER CA C 61.151 0.134 1 2029 184 187 SER CB C 63.038 0.159 1 2030 184 187 SER N N 115.156 0.036 1 2031 185 188 ASN H H 7.304 0.003 1 2032 185 188 ASN HA H 4.851 0.009 1 2033 185 188 ASN HB2 H 2.601 0.01 2 2034 185 188 ASN HB3 H 2.953 0.01 2 2035 185 188 ASN HD21 H 6.771 0.003 1 2036 185 188 ASN HD22 H 7.552 0.002 1 2037 185 188 ASN C C 174.618 0.001 1 2038 185 188 ASN CA C 52.908 0.103 1 2039 185 188 ASN CB C 39.910 0.098 1 2040 185 188 ASN N N 117.882 0.034 1 2041 185 188 ASN ND2 N 113.342 0.02 1 2042 186 189 LEU H H 7.069 0.004 1 2043 186 189 LEU HA H 4.066 0.014 1 2044 186 189 LEU HB2 H 1.331 0.014 2 2045 186 189 LEU HB3 H 1.660 0.017 2 2046 186 189 LEU HG H 2.024 0.013 1 2047 186 189 LEU HD1 H 0.749 0.01 2 2048 186 189 LEU HD2 H 0.759 0.017 2 2049 186 189 LEU C C 176.366 0.004 1 2050 186 189 LEU CA C 55.516 0.071 1 2051 186 189 LEU CB C 43.319 0.09 1 2052 186 189 LEU CG C 26.234 0.083 1 2053 186 189 LEU CD1 C 23.166 0.017 2 2054 186 189 LEU CD2 C 24.889 0.09 2 2055 186 189 LEU N N 121.336 0.019 1 2056 187 190 ASP H H 8.385 0.005 1 2057 187 190 ASP HA H 4.322 0.014 1 2058 187 190 ASP HB2 H 2.748 0.011 2 2059 187 190 ASP HB3 H 2.539 0.01 2 2060 187 190 ASP C C 177.100 0.003 1 2061 187 190 ASP CA C 55.104 0.127 1 2062 187 190 ASP CB C 43.076 0.104 1 2063 187 190 ASP N N 121.805 0.043 1 2064 188 191 LEU H H 8.408 0.004 1 2065 188 191 LEU HA H 3.959 0.011 1 2066 188 191 LEU HB2 H 1.720 0.016 2 2067 188 191 LEU HB3 H 1.593 0.015 2 2068 188 191 LEU HG H 1.731 0.003 1 2069 188 191 LEU HD1 H 0.936 0.021 2 2070 188 191 LEU HD2 H 0.911 0.012 2 2071 188 191 LEU C C 178.838 0.004 1 2072 188 191 LEU CA C 58.149 0.082 1 2073 188 191 LEU CB C 42.099 0.063 1 2074 188 191 LEU CG C 26.947 0.109 1 2075 188 191 LEU CD1 C 24.308 0.041 2 2076 188 191 LEU CD2 C 24.082 0.038 2 2077 188 191 LEU N N 125.878 0.03 1 2078 189 192 GLN H H 8.611 0.005 1 2079 189 192 GLN HA H 4.058 0.014 1 2080 189 192 GLN HB2 H 2.064 0.008 2 2081 189 192 GLN HB3 H 2.099 0.01 2 2082 189 192 GLN HG2 H 2.388 0.022 2 2083 189 192 GLN HG3 H 2.349 0.017 2 2084 189 192 GLN C C 178.807 0.029 1 2085 189 192 GLN CA C 58.972 0.078 1 2086 189 192 GLN CB C 28.188 0.097 1 2087 189 192 GLN CG C 34.056 0.115 1 2088 189 192 GLN N N 117.825 0.031 1 2089 190 193 LEU H H 7.409 0.006 1 2090 190 193 LEU HA H 4.108 0.009 1 2091 190 193 LEU HB2 H 1.933 0.004 2 2092 190 193 LEU HB3 H 1.558 0.006 2 2093 190 193 LEU HG H 1.678 0.01 1 2094 190 193 LEU HD1 H 0.838 0.008 2 2095 190 193 LEU HD2 H 0.935 0.006 2 2096 190 193 LEU C C 179.050 0.014 1 2097 190 193 LEU CA C 57.769 0.06 1 2098 190 193 LEU CB C 41.302 0.09 1 2099 190 193 LEU CG C 27.344 0.043 1 2100 190 193 LEU CD1 C 24.027 0.082 2 2101 190 193 LEU CD2 C 25.337 0.066 2 2102 190 193 LEU N N 119.699 0.063 1 2103 191 194 VAL H H 7.881 0.013 1 2104 191 194 VAL HA H 3.347 0.008 1 2105 191 194 VAL HB H 2.126 0.008 1 2106 191 194 VAL HG1 H 0.962 0.007 2 2107 191 194 VAL HG2 H 0.956 0.004 2 2108 191 194 VAL C C 177.914 0.001 1 2109 191 194 VAL CA C 67.464 0.086 1 2110 191 194 VAL CB C 31.776 0.093 1 2111 191 194 VAL CG1 C 21.406 0.094 2 2112 191 194 VAL CG2 C 23.465 0.101 2 2113 191 194 VAL N N 119.239 0.112 1 2114 192 195 ASN H H 8.451 0.004 1 2115 192 195 ASN HA H 4.394 0.004 1 2116 192 195 ASN HB2 H 2.825 0.006 2 2117 192 195 ASN HB3 H 2.722 0.008 2 2118 192 195 ASN HD21 H 6.776 0.003 1 2119 192 195 ASN HD22 H 7.398 0.006 1 2120 192 195 ASN C C 177.723 0.003 1 2121 192 195 ASN CA C 56.360 0.099 1 2122 192 195 ASN CB C 37.908 0.107 1 2123 192 195 ASN N N 117.622 0.029 1 2124 192 195 ASN ND2 N 111.013 0.026 1 2125 193 196 ASN H H 7.871 0.005 1 2126 193 196 ASN HA H 4.490 0.024 1 2127 193 196 ASN HB2 H 2.676 0.013 2 2128 193 196 ASN HB3 H 3.036 0.011 2 2129 193 196 ASN HD21 H 7.285 0.003 1 2130 193 196 ASN HD22 H 6.912 0.003 1 2131 193 196 ASN C C 178.149 0.004 1 2132 193 196 ASN CA C 56.056 0.095 1 2133 193 196 ASN CB C 38.020 0.085 1 2134 193 196 ASN N N 118.684 0.053 1 2135 193 196 ASN ND2 N 110.041 0.019 1 2136 194 197 LEU H H 7.988 0.014 1 2137 194 197 LEU HA H 3.954 0.008 1 2138 194 197 LEU HB2 H 1.253 0.013 2 2139 194 197 LEU HB3 H 2.084 0.012 2 2140 194 197 LEU HG H 1.727 0.011 1 2141 194 197 LEU HD1 H 0.671 0.006 2 2142 194 197 LEU HD2 H 0.675 0.006 2 2143 194 197 LEU C C 178.155 0.001 1 2144 194 197 LEU CA C 58.331 0.089 1 2145 194 197 LEU CB C 42.316 0.075 1 2146 194 197 LEU CG C 26.564 0.089 1 2147 194 197 LEU CD1 C 24.815 0.063 2 2148 194 197 LEU CD2 C 23.448 0.099 2 2149 194 197 LEU N N 120.576 0.061 1 2150 195 198 ILE H H 8.405 0.031 1 2151 195 198 ILE HA H 3.311 0.008 1 2152 195 198 ILE HB H 1.855 0.009 1 2153 195 198 ILE HG2 H 0.673 0.003 1 2154 195 198 ILE HD1 H 0.772 0.004 1 2155 195 198 ILE C C 177.466 0.002 1 2156 195 198 ILE CA C 66.763 0.066 1 2157 195 198 ILE CB C 38.197 0.057 1 2158 195 198 ILE CG1 C 29.972 0.009 1 2159 195 198 ILE CG2 C 16.555 0.057 1 2160 195 198 ILE CD1 C 13.875 0.072 1 2161 195 198 ILE N N 119.123 0.034 1 2162 196 199 ASN H H 7.951 0.021 1 2163 196 199 ASN HA H 4.308 0.009 1 2164 196 199 ASN HB2 H 2.811 0.005 1 2165 196 199 ASN HB3 H 2.811 0.005 1 2166 196 199 ASN HD21 H 7.470 0.004 1 2167 196 199 ASN HD22 H 6.719 0.002 1 2168 196 199 ASN C C 177.547 0.003 1 2169 196 199 ASN CA C 56.483 0.177 1 2170 196 199 ASN CB C 38.016 0.1 1 2171 196 199 ASN N N 116.216 0.108 1 2172 196 199 ASN ND2 N 111.684 0.019 1 2173 197 200 LEU H H 7.784 0.026 1 2174 197 200 LEU HA H 4.184 0.009 1 2175 197 200 LEU HB2 H 2.062 0.008 2 2176 197 200 LEU HB3 H 1.689 0.01 2 2177 197 200 LEU HG H 1.922 0.006 1 2178 197 200 LEU HD1 H 0.894 0.009 2 2179 197 200 LEU HD2 H 0.928 0.008 2 2180 197 200 LEU C C 179.282 0.001 1 2181 197 200 LEU CA C 58.113 0.064 1 2182 197 200 LEU CB C 42.473 0.054 1 2183 197 200 LEU CG C 26.801 0.072 1 2184 197 200 LEU CD1 C 25.912 0.054 2 2185 197 200 LEU CD2 C 24.416 0.062 2 2186 197 200 LEU N N 119.945 0.208 1 2187 198 201 ILE H H 7.853 0.005 1 2188 198 201 ILE HA H 3.574 0.005 1 2189 198 201 ILE HB H 1.838 0.017 1 2190 198 201 ILE HG12 H 1.956 0.003 1 2191 198 201 ILE HG13 H 1.956 0.003 1 2192 198 201 ILE HG2 H 0.796 0.003 1 2193 198 201 ILE HD1 H 0.661 0.007 1 2194 198 201 ILE C C 178.510 0.002 1 2195 198 201 ILE CA C 65.557 0.039 1 2196 198 201 ILE CB C 38.410 0.063 1 2197 198 201 ILE CG1 C 29.104 0.08 1 2198 198 201 ILE CG2 C 18.511 0.04 1 2199 198 201 ILE CD1 C 14.480 0.05 1 2200 198 201 ILE N N 118.712 0.088 1 2201 199 202 LEU H H 8.323 0.008 1 2202 199 202 LEU HA H 3.830 0.006 1 2203 199 202 LEU HB2 H 1.329 0.005 2 2204 199 202 LEU HB3 H 1.718 0.01 2 2205 199 202 LEU HG H 1.473 0.008 1 2206 199 202 LEU HD1 H 0.352 0.005 2 2207 199 202 LEU HD2 H 0.511 0.007 2 2208 199 202 LEU C C 179.360 0.007 1 2209 199 202 LEU CA C 57.705 0.046 1 2210 199 202 LEU CB C 41.833 0.069 1 2211 199 202 LEU CG C 26.258 0.051 1 2212 199 202 LEU CD1 C 22.104 0.027 2 2213 199 202 LEU CD2 C 25.545 0.068 2 2214 199 202 LEU N N 119.711 0.058 1 2215 200 203 ASP H H 8.017 0.005 1 2216 200 203 ASP HA H 4.447 0.005 1 2217 200 203 ASP HB2 H 2.720 0.004 2 2218 200 203 ASP HB3 H 2.670 0.01 2 2219 200 203 ASP C C 177.886 0.013 1 2220 200 203 ASP CA C 56.416 0.11 1 2221 200 203 ASP CB C 41.037 0.11 1 2222 200 203 ASP N N 118.409 0.043 1 2223 201 204 ARG H H 7.528 0.005 1 2224 201 204 ARG HA H 4.053 0.006 1 2225 201 204 ARG HB2 H 1.572 0.004 2 2226 201 204 ARG HB3 H 1.727 0.012 2 2227 201 204 ARG HG2 H 1.306 0.003 1 2228 201 204 ARG HG3 H 1.306 0.003 1 2229 201 204 ARG HD2 H 2.516 0.003 1 2230 201 204 ARG HD3 H 2.516 0.003 1 2231 201 204 ARG C C 176.873 0.006 1 2232 201 204 ARG CA C 56.941 0.07 1 2233 201 204 ARG CB C 30.177 0.056 1 2234 201 204 ARG CG C 26.752 0.037 1 2235 201 204 ARG CD C 42.908 0.032 1 2236 201 204 ARG N N 119.014 0.044 1 2237 202 205 ALA H H 7.860 0.004 1 2238 202 205 ALA HA H 4.166 0.004 1 2239 202 205 ALA HB H 1.350 0.013 1 2240 202 205 ALA C C 177.784 0.004 1 2241 202 205 ALA CA C 53.215 0.156 1 2242 202 205 ALA CB C 18.891 0.081 1 2243 202 205 ALA N N 121.424 0.04 1 2244 203 206 ASN H H 7.906 0.006 1 2245 203 206 ASN HA H 4.655 0.004 1 2246 203 206 ASN HB2 H 2.848 0.007 2 2247 203 206 ASN HB3 H 2.724 0.009 2 2248 203 206 ASN C C 175.382 0.019 1 2249 203 206 ASN CA C 53.474 0.099 1 2250 203 206 ASN CB C 38.766 0.075 1 2251 203 206 ASN N N 116.262 0.091 1 2252 204 207 VAL H H 7.680 0.002 1 2253 204 207 VAL HA H 4.031 0.003 1 2254 204 207 VAL HB H 2.049 0.009 1 2255 204 207 VAL HG1 H 0.881 0.007 2 2256 204 207 VAL HG2 H 0.873 0.006 2 2257 204 207 VAL C C 175.571 0.001 1 2258 204 207 VAL CA C 62.625 0.102 1 2259 204 207 VAL CB C 32.741 0.086 1 2260 204 207 VAL CG1 C 20.616 0.073 2 2261 204 207 VAL CG2 C 21.159 0.017 2 2262 204 207 VAL N N 119.156 0.025 1 2263 205 208 ASP H H 8.201 0.003 1 2264 205 208 ASP HA H 4.581 0.005 1 2265 205 208 ASP HB2 H 2.702 0.007 2 2266 205 208 ASP HB3 H 2.527 0.008 2 2267 205 208 ASP C C 176.095 0.002 1 2268 205 208 ASP CA C 54.319 0.092 1 2269 205 208 ASP CB C 41.144 0.122 1 2270 205 208 ASP N N 123.283 0.02 1 2271 206 209 LEU H H 8.074 0.009 1 2272 206 209 LEU HA H 4.358 0.004 1 2273 206 209 LEU HB2 H 1.613 0.003 1 2274 206 209 LEU HB3 H 1.613 0.003 1 2275 206 209 LEU HG H 1.612 0.005 1 2276 206 209 LEU HD1 H 0.880 0.005 2 2277 206 209 LEU HD2 H 0.820 0.001 2 2278 206 209 LEU C C 177.362 0.009 1 2279 206 209 LEU CA C 55.078 0.068 1 2280 206 209 LEU CB C 42.332 0.088 1 2281 206 209 LEU CG C 26.883 0.088 1 2282 206 209 LEU CD1 C 25.113 0.085 2 2283 206 209 LEU CD2 C 23.301 0.137 2 2284 206 209 LEU N N 123.124 0.037 1 2285 207 210 SER H H 8.284 0.01 1 2286 207 210 SER HA H 4.409 0.012 1 2287 207 210 SER HB2 H 3.834 0.014 1 2288 207 210 SER HB3 H 3.832 0.015 1 2289 207 210 SER C C 173.593 . 1 2290 207 210 SER CA C 58.571 0.04 1 2291 207 210 SER CB C 63.959 0.163 1 2292 207 210 SER N N 117.258 0.083 1 2293 208 211 VAL H H 7.506 0.006 1 2294 208 211 VAL HA H 4.018 0.015 1 2295 208 211 VAL HB H 2.062 0.008 1 2296 208 211 VAL HG1 H 0.838 0.013 2 2297 208 211 VAL HG2 H 0.858 0.015 2 2298 208 211 VAL C C 180.952 . 1 2299 208 211 VAL CA C 63.568 0.141 1 2300 208 211 VAL CB C 33.203 0.071 1 2301 208 211 VAL CG1 C 19.988 0.05 2 2302 208 211 VAL CG2 C 21.600 0.083 2 2303 208 211 VAL N N 125.094 0.055 1 stop_ save_