data_26697 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Denatured CSE4 Protein from Saccharomyces cerevisiae ; _BMRB_accession_number 26697 _BMRB_flat_file_name bmr26697.str _Entry_type original _Submission_date 2015-10-27 _Accession_date 2015-10-27 _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 Malik Nikita . . 2 Kumar Ashutosh . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 765 "13C chemical shifts" 901 "15N chemical shifts" 218 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-12-12 update BMRB 'update entry citation' 2016-09-09 original author 'original release' stop_ _Original_release_date 2016-09-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignment of disordered protein with repetitive and overlapping sequence using combinatorial approach reveals initial structural propensities and local restrictions in the denatured state ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27586017 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Malik Nikita . . 2 Kumar Ashutosh . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 66 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 21 _Page_last 35 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CSE4 (CENP-A) protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CSE4 protein' $CSE4_protein stop_ _System_molecular_weight 26846.8 _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CSE4_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CSE4_protein _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 229 _Mol_residue_sequence ; MSSKQQWVSSAIQSDSSGRS LSNVNRLAGDQQSINDRALS LLQRTRATKNLFPRREERRR YESSKSDLDIETDYEDQAGN LEIETENEEEAEMETEVPAP VRTHSYALDRYVRQKRREKQ RKQSLKRVEKKYTPSELALY EIRKYQRSTDLLISKIPFAR LVKEVTDEFTTKDQDLRWQS MAIMALQEASEAYLVGLLEH TNLLALHAKRITIMKKDMQL ARRIRGQFI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 SER 4 4 LYS 5 5 GLN 6 6 GLN 7 7 TRP 8 8 VAL 9 9 SER 10 10 SER 11 11 ALA 12 12 ILE 13 13 GLN 14 14 SER 15 15 ASP 16 16 SER 17 17 SER 18 18 GLY 19 19 ARG 20 20 SER 21 21 LEU 22 22 SER 23 23 ASN 24 24 VAL 25 25 ASN 26 26 ARG 27 27 LEU 28 28 ALA 29 29 GLY 30 30 ASP 31 31 GLN 32 32 GLN 33 33 SER 34 34 ILE 35 35 ASN 36 36 ASP 37 37 ARG 38 38 ALA 39 39 LEU 40 40 SER 41 41 LEU 42 42 LEU 43 43 GLN 44 44 ARG 45 45 THR 46 46 ARG 47 47 ALA 48 48 THR 49 49 LYS 50 50 ASN 51 51 LEU 52 52 PHE 53 53 PRO 54 54 ARG 55 55 ARG 56 56 GLU 57 57 GLU 58 58 ARG 59 59 ARG 60 60 ARG 61 61 TYR 62 62 GLU 63 63 SER 64 64 SER 65 65 LYS 66 66 SER 67 67 ASP 68 68 LEU 69 69 ASP 70 70 ILE 71 71 GLU 72 72 THR 73 73 ASP 74 74 TYR 75 75 GLU 76 76 ASP 77 77 GLN 78 78 ALA 79 79 GLY 80 80 ASN 81 81 LEU 82 82 GLU 83 83 ILE 84 84 GLU 85 85 THR 86 86 GLU 87 87 ASN 88 88 GLU 89 89 GLU 90 90 GLU 91 91 ALA 92 92 GLU 93 93 MET 94 94 GLU 95 95 THR 96 96 GLU 97 97 VAL 98 98 PRO 99 99 ALA 100 100 PRO 101 101 VAL 102 102 ARG 103 103 THR 104 104 HIS 105 105 SER 106 106 TYR 107 107 ALA 108 108 LEU 109 109 ASP 110 110 ARG 111 111 TYR 112 112 VAL 113 113 ARG 114 114 GLN 115 115 LYS 116 116 ARG 117 117 ARG 118 118 GLU 119 119 LYS 120 120 GLN 121 121 ARG 122 122 LYS 123 123 GLN 124 124 SER 125 125 LEU 126 126 LYS 127 127 ARG 128 128 VAL 129 129 GLU 130 130 LYS 131 131 LYS 132 132 TYR 133 133 THR 134 134 PRO 135 135 SER 136 136 GLU 137 137 LEU 138 138 ALA 139 139 LEU 140 140 TYR 141 141 GLU 142 142 ILE 143 143 ARG 144 144 LYS 145 145 TYR 146 146 GLN 147 147 ARG 148 148 SER 149 149 THR 150 150 ASP 151 151 LEU 152 152 LEU 153 153 ILE 154 154 SER 155 155 LYS 156 156 ILE 157 157 PRO 158 158 PHE 159 159 ALA 160 160 ARG 161 161 LEU 162 162 VAL 163 163 LYS 164 164 GLU 165 165 VAL 166 166 THR 167 167 ASP 168 168 GLU 169 169 PHE 170 170 THR 171 171 THR 172 172 LYS 173 173 ASP 174 174 GLN 175 175 ASP 176 176 LEU 177 177 ARG 178 178 TRP 179 179 GLN 180 180 SER 181 181 MET 182 182 ALA 183 183 ILE 184 184 MET 185 185 ALA 186 186 LEU 187 187 GLN 188 188 GLU 189 189 ALA 190 190 SER 191 191 GLU 192 192 ALA 193 193 TYR 194 194 LEU 195 195 VAL 196 196 GLY 197 197 LEU 198 198 LEU 199 199 GLU 200 200 HIS 201 201 THR 202 202 ASN 203 203 LEU 204 204 LEU 205 205 ALA 206 206 LEU 207 207 HIS 208 208 ALA 209 209 LYS 210 210 ARG 211 211 ILE 212 212 THR 213 213 ILE 214 214 MET 215 215 LYS 216 216 LYS 217 217 ASP 218 218 MET 219 219 GLN 220 220 LEU 221 221 ALA 222 222 ARG 223 223 ARG 224 224 ILE 225 225 ARG 226 226 GLY 227 227 GLN 228 228 PHE 229 229 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CSE4_protein "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $CSE4_protein 'recombinant technology' . Escherichia coli . pKS387 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling urea 8 M 'natural abundance' 'sodium acetate' 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' EDTA 1 mM 'natural abundance' beta-mercaptoethanol 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HN(CO)CACAB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACAB' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNN_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _Sample_label $sample_1 save_ save_3D_CC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D 1H-15N TOCSY' '3D HN(CO)CACAB' '3D HNCACB' '3D HNN' '3D CC(CO)NH' 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 'CSE4 protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 176.849 0.000 1 2 1 1 MET CA C 57.509 0.000 1 3 1 1 MET CB C 34.078 0.000 1 4 2 2 SER CA C 59.615 0.006 1 5 2 2 SER CB C 65.227 0.004 1 6 2 2 SER H H 8.374 0.001 1 7 2 2 SER HA H 4.498 0.000 1 8 2 2 SER HB2 H 3.904 0.000 1 9 2 2 SER N N 116.418 0.000 1 10 3 3 SER C C 174.743 0.019 1 11 3 3 SER CA C 59.159 0.020 1 12 3 3 SER CB C 64.709 0.014 1 13 3 3 SER H H 8.443 0.001 1 14 3 3 SER HA H 4.529 0.000 1 15 3 3 SER HB2 H 3.936 0.000 1 16 3 3 SER N N 117.268 0.004 1 17 4 4 LYS C C 176.592 0.025 1 18 4 4 LYS CA C 57.198 0.017 1 19 4 4 LYS CB C 33.722 0.070 1 20 4 4 LYS CD C 29.813 0.000 1 21 4 4 LYS CG C 25.570 0.000 1 22 4 4 LYS H H 8.393 0.001 1 23 4 4 LYS HA H 4.321 0.000 1 24 4 4 LYS HB2 H 1.882 0.000 2 25 4 4 LYS HB3 H 1.722 0.000 2 26 4 4 LYS HG2 H 1.439 0.000 1 27 4 4 LYS N N 122.923 0.004 1 28 5 5 GLN C C 176.448 0.004 1 29 5 5 GLN CA C 56.751 0.040 1 30 5 5 GLN CB C 30.068 0.004 1 31 5 5 GLN CG C 34.543 0.000 1 32 5 5 GLN H H 8.358 0.000 1 33 5 5 GLN HA H 4.275 0.000 1 34 5 5 GLN HB2 H 1.997 0.000 1 35 5 5 GLN HG2 H 2.362 0.000 1 36 5 5 GLN N N 121.237 0.004 1 37 6 6 GLN C C 175.507 0.003 1 38 6 6 GLN CA C 56.666 0.012 1 39 6 6 GLN CB C 30.260 0.005 1 40 6 6 GLN CG C 34.415 0.000 1 41 6 6 GLN H H 8.418 0.001 1 42 6 6 GLN HA H 4.334 0.000 1 43 6 6 GLN HB2 H 1.997 0.000 1 44 6 6 GLN HG2 H 2.294 0.000 1 45 6 6 GLN N N 121.745 0.003 1 46 7 7 TRP C C 175.936 0.002 1 47 7 7 TRP CA C 57.955 0.026 1 48 7 7 TRP CB C 30.341 0.024 1 49 7 7 TRP H H 8.290 0.001 1 50 7 7 TRP HA H 4.719 0.000 1 51 7 7 TRP HB2 H 3.300 0.000 1 52 7 7 TRP N N 122.694 0.003 1 53 8 8 VAL C C 175.761 0.013 1 54 8 8 VAL CA C 62.670 0.087 1 55 8 8 VAL CB C 33.856 0.048 1 56 8 8 VAL CG1 C 21.424 0.000 1 57 8 8 VAL H H 8.051 0.001 1 58 8 8 VAL HA H 4.122 0.000 1 59 8 8 VAL HB H 2.021 0.000 1 60 8 8 VAL HG1 H 0.921 0.000 1 61 8 8 VAL N N 122.432 0.014 1 62 9 9 SER C C 174.762 0.010 1 63 9 9 SER CA C 58.941 0.025 1 64 9 9 SER CB C 64.643 0.002 1 65 9 9 SER H H 8.328 0.002 1 66 9 9 SER HA H 4.406 0.000 1 67 9 9 SER HB2 H 3.902 0.000 1 68 9 9 SER N N 119.430 0.003 1 69 10 10 SER C C 174.241 0.004 1 70 10 10 SER CA C 59.062 0.009 1 71 10 10 SER CB C 64.674 0.045 1 72 10 10 SER H H 8.404 0.002 1 73 10 10 SER HA H 4.504 0.000 1 74 10 10 SER HB2 H 3.886 0.000 1 75 10 10 SER N N 118.203 0.010 1 76 11 11 ALA C C 177.609 0.001 1 77 11 11 ALA CA C 53.263 0.006 1 78 11 11 ALA CB C 19.808 0.007 1 79 11 11 ALA H H 8.315 0.002 1 80 11 11 ALA HA H 4.383 0.000 1 81 11 11 ALA HB H 1.415 0.000 1 82 11 11 ALA N N 125.850 0.007 1 83 12 12 ILE C C 176.320 0.005 1 84 12 12 ILE CA C 61.952 0.014 1 85 12 12 ILE CB C 39.348 0.001 1 86 12 12 ILE CD1 C 13.591 0.000 1 87 12 12 ILE CG1 C 28.191 0.000 1 88 12 12 ILE CG2 C 18.148 0.000 1 89 12 12 ILE H H 8.085 0.001 1 90 12 12 ILE HA H 4.184 0.000 1 91 12 12 ILE HB H 1.883 0.000 1 92 12 12 ILE HG12 H 1.230 0.000 2 93 12 12 ILE HG13 H 1.535 0.000 2 94 12 12 ILE HG2 H 0.948 0.000 1 95 12 12 ILE N N 119.916 0.004 1 96 13 13 GLN C C 175.897 0.007 1 97 13 13 GLN CA C 56.531 0.022 1 98 13 13 GLN CB C 30.183 0.006 1 99 13 13 GLN CG C 34.555 0.000 1 100 13 13 GLN H H 8.504 0.001 1 101 13 13 GLN HA H 4.460 0.000 1 102 13 13 GLN HB2 H 2.033 0.000 2 103 13 13 GLN HB3 H 2.133 0.000 2 104 13 13 GLN HG2 H 2.417 0.000 1 105 13 13 GLN N N 124.771 0.006 1 106 14 14 SER C C 174.282 0.001 1 107 14 14 SER CA C 59.038 0.076 1 108 14 14 SER CB C 64.830 0.038 1 109 14 14 SER H H 8.431 0.003 1 110 14 14 SER HA H 4.524 0.000 1 111 14 14 SER HB2 H 3.930 0.000 1 112 14 14 SER N N 117.495 0.016 1 113 15 15 ASP C C 176.692 0.011 1 114 15 15 ASP CA C 54.811 0.087 1 115 15 15 ASP CB C 42.119 0.014 1 116 15 15 ASP H H 8.518 0.002 1 117 15 15 ASP HA H 4.767 0.000 1 118 15 15 ASP HB2 H 2.829 0.000 1 119 15 15 ASP N N 122.505 0.033 1 120 16 16 SER C C 175.103 0.001 1 121 16 16 SER CA C 59.413 0.034 1 122 16 16 SER CB C 64.456 0.005 1 123 16 16 SER H H 8.473 0.003 1 124 16 16 SER HA H 4.521 0.000 1 125 16 16 SER HB2 H 3.956 0.000 1 126 16 16 SER N N 116.733 0.019 1 127 17 17 SER C C 175.242 0.009 1 128 17 17 SER CA C 59.929 0.026 1 129 17 17 SER CB C 64.673 0.011 1 130 17 17 SER H H 8.472 0.002 1 131 17 17 SER N N 117.979 0.001 1 132 18 18 GLY C C 174.183 0.008 1 133 18 18 GLY CA C 46.138 0.022 1 134 18 18 GLY H H 8.386 0.002 1 135 18 18 GLY HA2 H 4.031 0.000 1 136 18 18 GLY N N 110.435 0.008 1 137 19 19 ARG C C 176.484 0.015 1 138 19 19 ARG CA C 56.846 0.026 1 139 19 19 ARG CB C 31.713 0.001 1 140 19 19 ARG CD C 44.141 0.000 1 141 19 19 ARG CG C 27.890 0.000 1 142 19 19 ARG H H 8.160 0.002 1 143 19 19 ARG HA H 4.383 0.000 1 144 19 19 ARG HB2 H 1.875 0.000 2 145 19 19 ARG HB3 H 1.815 0.000 2 146 19 19 ARG HD2 H 3.221 0.000 1 147 19 19 ARG HG2 H 1.680 0.000 1 148 19 19 ARG N N 120.542 0.009 1 149 20 20 SER C C 174.819 0.007 1 150 20 20 SER CA C 59.070 0.023 1 151 20 20 SER CB C 64.625 0.020 1 152 20 20 SER H H 8.493 0.001 1 153 20 20 SER HA H 4.529 0.000 1 154 20 20 SER HB2 H 3.929 0.000 1 155 20 20 SER N N 117.240 0.010 1 156 21 21 LEU C C 177.426 0.011 1 157 21 21 LEU CA C 55.964 0.060 1 158 21 21 LEU CB C 43.081 0.008 1 159 21 21 LEU CD1 C 25.609 0.000 2 160 21 21 LEU CD2 C 23.965 0.000 2 161 21 21 LEU CG C 27.688 0.000 1 162 21 21 LEU H H 8.432 0.001 1 163 21 21 LEU HA H 4.473 0.000 1 164 21 21 LEU HB2 H 1.647 0.000 1 165 21 21 LEU HD1 H 0.952 0.000 1 166 21 21 LEU N N 124.610 0.005 1 167 22 22 SER C C 174.453 0.006 1 168 22 22 SER CA C 59.107 0.008 1 169 22 22 SER CB C 64.714 0.031 1 170 22 22 SER H H 8.362 0.002 1 171 22 22 SER HA H 4.489 0.000 1 172 22 22 SER HB2 H 3.901 0.000 1 173 22 22 SER N N 115.997 0.004 1 174 23 23 ASN C C 175.275 0.000 1 175 23 23 ASN CA C 54.067 0.082 1 176 23 23 ASN CB C 39.553 0.012 1 177 23 23 ASN H H 8.539 0.002 1 178 23 23 ASN HA H 4.708 0.000 1 179 23 23 ASN HB2 H 2.861 0.000 1 180 23 23 ASN N N 121.151 0.010 1 181 24 24 VAL C C 175.824 0.006 1 182 24 24 VAL CA C 63.318 0.058 1 183 24 24 VAL CB C 33.355 0.058 1 184 24 24 VAL CG1 C 21.376 0.000 1 185 24 24 VAL H H 8.054 0.001 1 186 24 24 VAL HA H 4.141 0.000 1 187 24 24 VAL HB H 2.117 0.000 1 188 24 24 VAL HG1 H 0.966 0.000 1 189 24 24 VAL N N 119.479 0.005 1 190 25 25 ASN C C 175.219 0.014 1 191 25 25 ASN CA C 53.919 0.060 1 192 25 25 ASN CB C 39.562 0.009 1 193 25 25 ASN H H 8.529 0.001 1 194 25 25 ASN HA H 4.732 0.000 1 195 25 25 ASN HB2 H 2.845 0.000 1 196 25 25 ASN N N 122.060 0.024 1 197 26 26 ARG C C 176.211 0.008 1 198 26 26 ARG CA C 56.951 0.011 1 199 26 26 ARG CB C 31.524 0.019 1 200 26 26 ARG CD C 44.110 0.000 1 201 26 26 ARG CG C 27.953 0.000 1 202 26 26 ARG H H 8.353 0.002 1 203 26 26 ARG HA H 4.407 0.000 1 204 26 26 ARG HB2 H 1.846 0.000 1 205 26 26 ARG HD2 H 3.231 0.000 1 206 26 26 ARG HG2 H 1.680 0.000 1 207 26 26 ARG N N 122.069 0.003 1 208 27 27 LEU C C 177.159 0.002 1 209 27 27 LEU CA C 55.754 0.012 1 210 27 27 LEU CB C 42.952 0.024 1 211 27 27 LEU CD1 C 25.549 0.000 2 212 27 27 LEU CD2 C 24.049 0.000 2 213 27 27 LEU CG C 27.524 0.000 1 214 27 27 LEU H H 8.365 0.001 1 215 27 27 LEU HA H 4.235 0.000 1 216 27 27 LEU HB2 H 1.671 0.000 1 217 27 27 LEU HD1 H 0.941 0.000 1 218 27 27 LEU N N 123.260 0.004 1 219 28 28 ALA C C 178.184 0.011 1 220 28 28 ALA CA C 53.305 0.006 1 221 28 28 ALA CB C 19.983 0.013 1 222 28 28 ALA H H 8.316 0.001 1 223 28 28 ALA HA H 4.370 0.000 1 224 28 28 ALA HB H 1.446 0.000 1 225 28 28 ALA N N 124.690 0.002 1 226 29 29 GLY C C 173.997 0.008 1 227 29 29 GLY CA C 46.023 0.011 1 228 29 29 GLY H H 8.336 0.001 1 229 29 29 GLY HA2 H 4.004 0.000 1 230 29 29 GLY N N 107.961 0.009 1 231 30 30 ASP C C 176.604 0.001 1 232 30 30 ASP CA C 55.017 0.061 1 233 30 30 ASP CB C 42.026 0.020 1 234 30 30 ASP H H 8.298 0.002 1 235 30 30 ASP HB2 H 2.741 0.000 1 236 30 30 ASP N N 120.288 0.003 1 237 31 31 GLN C C 176.204 0.004 1 238 31 31 GLN CA C 56.933 0.018 1 239 31 31 GLN CB C 30.035 0.019 1 240 31 31 GLN CG C 34.609 0.000 1 241 31 31 GLN H H 8.439 0.002 1 242 31 31 GLN HA H 4.349 0.000 1 243 31 31 GLN HB2 H 2.073 0.000 1 244 31 31 GLN HG2 H 2.432 0.000 1 245 31 31 GLN N N 120.384 0.003 1 246 32 32 GLN C C 176.234 0.020 1 247 32 32 GLN CA C 56.875 0.012 1 248 32 32 GLN CB C 30.268 0.004 1 249 32 32 GLN CG C 34.613 0.000 1 250 32 32 GLN H H 8.470 0.002 1 251 32 32 GLN HA H 4.350 0.000 1 252 32 32 GLN HB2 H 2.063 0.000 1 253 32 32 GLN HG2 H 2.408 0.000 1 254 32 32 GLN N N 120.838 0.002 1 255 33 33 SER C C 174.827 0.007 1 256 33 33 SER CA C 59.102 0.010 1 257 33 33 SER CB C 64.565 0.010 1 258 33 33 SER H H 8.441 0.001 1 259 33 33 SER HA H 4.530 0.000 1 260 33 33 SER HB2 H 3.933 0.000 1 261 33 33 SER N N 117.197 0.003 1 262 34 34 ILE C C 176.139 0.020 1 263 34 34 ILE CA C 62.356 0.015 1 264 34 34 ILE CB C 39.544 0.007 1 265 34 34 ILE CD1 C 13.912 0.000 1 266 34 34 ILE CG1 C 28.160 0.000 1 267 34 34 ILE CG2 C 18.158 0.000 1 268 34 34 ILE H H 8.240 0.001 1 269 34 34 ILE HA H 4.203 0.000 1 270 34 34 ILE HB H 1.904 0.000 1 271 34 34 ILE HG12 H 1.490 0.000 2 272 34 34 ILE HG13 H 1.244 0.000 2 273 34 34 ILE HG2 H 0.968 0.000 1 274 34 34 ILE N N 122.344 0.002 1 275 35 35 ASN C C 175.131 0.003 1 276 35 35 ASN CA C 54.050 0.019 1 277 35 35 ASN CB C 39.627 0.009 1 278 35 35 ASN H H 8.446 0.002 1 279 35 35 ASN HA H 4.719 0.000 1 280 35 35 ASN HB2 H 2.823 0.000 1 281 35 35 ASN N N 121.881 0.004 1 282 36 36 ASP C C 176.653 0.001 1 283 36 36 ASP CA C 55.605 0.009 1 284 36 36 ASP CB C 41.929 0.012 1 285 36 36 ASP H H 8.306 0.002 1 286 36 36 ASP HB2 H 2.739 0.000 1 287 36 36 ASP N N 121.392 0.003 1 288 37 37 ARG C C 176.486 0.004 1 289 37 37 ARG CA C 57.345 0.011 1 290 37 37 ARG CB C 31.303 0.002 1 291 37 37 ARG CD C 44.179 0.000 1 292 37 37 ARG CG C 27.933 0.000 1 293 37 37 ARG H H 8.270 0.002 1 294 37 37 ARG HA H 4.315 0.000 1 295 37 37 ARG HB2 H 1.880 0.000 1 296 37 37 ARG HD2 H 3.192 0.000 1 297 37 37 ARG HG2 H 1.720 0.000 1 298 37 37 ARG N N 121.172 0.002 1 299 38 38 ALA C C 178.120 0.004 1 300 38 38 ALA CA C 53.600 0.009 1 301 38 38 ALA CB C 19.610 0.001 1 302 38 38 ALA H H 8.267 0.001 1 303 38 38 ALA HA H 4.321 0.000 1 304 38 38 ALA HB H 1.457 0.000 1 305 38 38 ALA N N 124.062 0.005 1 306 39 39 LEU C C 177.841 0.015 1 307 39 39 LEU CA C 56.243 0.030 1 308 39 39 LEU CB C 43.047 0.001 1 309 39 39 LEU CD1 C 25.557 0.000 2 310 39 39 LEU CD2 C 24.131 0.000 2 311 39 39 LEU CG C 27.661 0.000 1 312 39 39 LEU H H 8.152 0.001 1 313 39 39 LEU HA H 4.356 0.000 1 314 39 39 LEU HB2 H 1.680 0.000 1 315 39 39 LEU HD1 H 0.956 0.000 1 316 39 39 LEU N N 120.825 0.009 1 317 40 40 SER C C 174.900 0.004 1 318 40 40 SER CA C 59.306 0.006 1 319 40 40 SER CB C 64.509 0.005 1 320 40 40 SER H H 8.318 0.001 1 321 40 40 SER HA H 4.473 0.000 1 322 40 40 SER HB2 H 3.939 0.000 1 323 40 40 SER N N 116.341 0.007 1 324 41 41 LEU C C 177.543 0.006 1 325 41 41 LEU CA C 56.194 0.032 1 326 41 41 LEU CB C 42.900 0.013 1 327 41 41 LEU CD1 C 25.569 0.000 2 328 41 41 LEU CD2 C 24.144 0.000 2 329 41 41 LEU CG C 27.564 0.000 1 330 41 41 LEU H H 8.247 0.001 1 331 41 41 LEU HA H 4.358 0.000 1 332 41 41 LEU HB2 H 1.683 0.000 1 333 41 41 LEU HD1 H 0.960 0.000 1 334 41 41 LEU N N 123.850 0.002 1 335 42 42 LEU C C 177.545 0.001 1 336 42 42 LEU CA C 56.087 0.011 1 337 42 42 LEU CB C 43.044 0.014 1 338 42 42 LEU CD1 C 25.658 0.000 2 339 42 42 LEU CD2 C 24.098 0.000 2 340 42 42 LEU CG C 27.726 0.000 1 341 42 42 LEU H H 8.174 0.001 1 342 42 42 LEU HA H 4.325 0.000 1 343 42 42 LEU HB2 H 1.669 0.000 1 344 42 42 LEU HD1 H 0.946 0.000 1 345 42 42 LEU N N 122.084 0.005 1 346 43 43 GLN C C 176.176 0.009 1 347 43 43 GLN CA C 56.746 0.008 1 348 43 43 GLN CB C 30.162 0.010 1 349 43 43 GLN CG C 34.642 0.000 1 350 43 43 GLN H H 8.358 0.001 1 351 43 43 GLN HA H 4.346 0.000 1 352 43 43 GLN HB2 H 2.031 0.000 1 353 43 43 GLN HG2 H 2.399 0.000 1 354 43 43 GLN N N 120.959 0.002 1 355 44 44 ARG C C 176.620 0.031 1 356 44 44 ARG CA C 57.154 0.022 1 357 44 44 ARG CB C 31.538 0.018 1 358 44 44 ARG CD C 44.213 0.000 1 359 44 44 ARG CG C 28.018 0.000 1 360 44 44 ARG H H 8.438 0.002 1 361 44 44 ARG HA H 4.446 0.000 1 362 44 44 ARG HB2 H 1.859 0.000 1 363 44 44 ARG HD2 H 3.176 0.000 1 364 44 44 ARG HG2 H 1.705 0.000 1 365 44 44 ARG N N 122.299 0.004 1 366 45 45 THR C C 174.520 0.005 1 367 45 45 THR CA C 62.442 0.077 1 368 45 45 THR CB C 70.808 0.008 1 369 45 45 THR CG2 C 22.246 0.000 1 370 45 45 THR H H 8.260 0.002 1 371 45 45 THR HA H 4.407 0.000 1 372 45 45 THR HB H 4.309 0.000 1 373 45 45 THR HG2 H 1.254 0.000 1 374 45 45 THR N N 115.267 0.002 1 375 46 46 ARG C C 176.283 0.000 1 376 46 46 ARG CA C 56.871 0.020 1 377 46 46 ARG CB C 31.716 0.008 1 378 46 46 ARG CD C 44.209 0.000 1 379 46 46 ARG CG C 27.972 0.000 1 380 46 46 ARG H H 8.577 0.001 1 381 46 46 ARG HA H 4.386 0.000 1 382 46 46 ARG N N 123.144 0.006 1 383 47 47 ALA C C 177.852 0.012 1 384 47 47 ALA CA C 53.197 0.015 1 385 47 47 ALA CB C 19.981 0.009 1 386 47 47 ALA H H 8.443 0.002 1 387 47 47 ALA HA H 4.375 0.000 1 388 47 47 ALA HB H 1.455 0.000 1 389 47 47 ALA N N 125.689 0.008 1 390 48 48 THR C C 174.582 0.009 1 391 48 48 THR CA C 62.492 0.011 1 392 48 48 THR CB C 70.666 0.025 1 393 48 48 THR H H 8.216 0.001 1 394 48 48 THR HA H 4.374 0.000 1 395 48 48 THR HG2 H 1.270 0.000 1 396 48 48 THR N N 113.956 0.019 1 397 49 49 LYS C C 176.115 0.017 1 398 49 49 LYS CA C 57.165 0.005 1 399 49 49 LYS CB C 34.127 0.030 1 400 49 49 LYS CD C 30.909 0.000 1 401 49 49 LYS CG C 25.526 0.000 1 402 49 49 LYS H H 8.386 0.002 1 403 49 49 LYS HA H 4.320 0.000 1 404 49 49 LYS HB2 H 1.771 0.000 1 405 49 49 LYS HG2 H 1.449 0.000 1 406 49 49 LYS N N 123.453 0.003 1 407 50 50 ASN C C 174.867 0.015 1 408 50 50 ASN CA C 53.760 0.039 1 409 50 50 ASN CB C 39.568 0.045 1 410 50 50 ASN H H 8.570 0.002 1 411 50 50 ASN HA H 4.732 0.000 1 412 50 50 ASN HB2 H 2.801 0.000 1 413 50 50 ASN N N 120.330 0.030 1 414 51 51 LEU C C 176.587 0.003 1 415 51 51 LEU CA C 55.921 0.064 1 416 51 51 LEU CB C 43.270 0.026 1 417 51 51 LEU CD1 C 25.515 0.000 2 418 51 51 LEU CD2 C 24.006 0.000 2 419 51 51 LEU CG C 27.520 0.000 1 420 51 51 LEU H H 8.245 0.019 1 421 51 51 LEU HA H 4.319 0.000 1 422 51 51 LEU HB2 H 1.655 0.000 1 423 51 51 LEU HD1 H 0.893 0.000 1 424 51 51 LEU N N 123.027 0.055 1 425 52 52 PHE C C 175.689 0.000 1 426 52 52 PHE CA C 58.650 0.000 1 427 52 52 PHE CB C 39.557 0.000 1 428 52 52 PHE H H 8.273 0.002 1 429 52 52 PHE HA H 4.669 0.000 1 430 52 52 PHE HB2 H 3.162 0.000 1 431 52 52 PHE N N 120.732 0.004 1 432 53 53 PRO C C 176.064 0.000 1 433 53 53 PRO CA C 63.246 0.036 1 434 53 53 PRO CB C 34.934 0.000 1 435 53 53 PRO CG C 25.321 0.000 1 436 54 54 ARG C C 176.323 0.000 1 437 54 54 ARG CA C 57.154 0.006 1 438 54 54 ARG CB C 31.415 0.001 1 439 54 54 ARG CD C 43.953 0.000 1 440 54 54 ARG CG C 27.977 0.000 1 441 54 54 ARG H H 8.775 0.003 1 442 54 54 ARG HA H 4.326 0.000 1 443 54 54 ARG HB2 H 1.870 0.000 1 444 54 54 ARG HD2 H 3.238 0.000 1 445 54 54 ARG HG2 H 1.703 0.000 1 446 54 54 ARG N N 121.901 0.007 1 447 55 55 ARG C C 176.141 0.006 1 448 55 55 ARG CA C 56.912 0.003 1 449 55 55 ARG CB C 31.492 0.015 1 450 55 55 ARG CG C 27.941 0.000 1 451 55 55 ARG H H 8.523 0.001 1 452 55 55 ARG HA H 4.362 0.000 1 453 55 55 ARG HB2 H 1.763 0.000 1 454 55 55 ARG HD2 H 3.197 0.000 1 455 55 55 ARG N N 123.013 0.002 1 456 56 56 GLU C C 176.326 0.002 1 457 56 56 GLU CA C 57.055 0.004 1 458 56 56 GLU CB C 31.289 0.003 1 459 56 56 GLU CG C 36.997 0.000 1 460 56 56 GLU H H 8.499 0.002 1 461 56 56 GLU HA H 4.329 0.000 1 462 56 56 GLU HB2 H 2.009 0.000 1 463 56 56 GLU HG2 H 2.323 0.000 1 464 56 56 GLU N N 122.245 0.002 1 465 57 57 GLU C C 176.364 0.006 1 466 57 57 GLU CA C 57.014 0.003 1 467 57 57 GLU CB C 31.331 0.003 1 468 57 57 GLU CG C 37.055 0.000 1 469 57 57 GLU H H 8.548 0.001 1 470 57 57 GLU HA H 4.336 0.000 1 471 57 57 GLU HB2 H 2.038 0.000 1 472 57 57 GLU HG2 H 2.303 0.000 1 473 57 57 GLU N N 123.050 0.003 1 474 58 58 ARG C C 176.411 0.001 1 475 58 58 ARG CA C 56.905 0.008 1 476 58 58 ARG CB C 31.686 0.010 1 477 58 58 ARG CD C 44.188 0.000 1 478 58 58 ARG CG C 28.001 0.000 1 479 58 58 ARG H H 8.490 0.002 1 480 58 58 ARG HA H 4.334 0.000 1 481 58 58 ARG HB2 H 1.846 0.000 1 482 58 58 ARG HD2 H 3.215 0.000 1 483 58 58 ARG HG2 H 1.695 0.000 1 484 58 58 ARG N N 122.696 0.003 1 485 59 59 ARG C C 176.324 0.000 1 486 59 59 ARG CA C 56.948 0.054 1 487 59 59 ARG CB C 31.562 0.035 1 488 59 59 ARG CD C 44.190 0.000 1 489 59 59 ARG CG C 28.047 0.000 1 490 59 59 ARG H H 8.471 0.002 1 491 59 59 ARG HA H 4.417 0.000 1 492 59 59 ARG HB2 H 1.828 0.000 1 493 59 59 ARG HD2 H 3.227 0.000 1 494 59 59 ARG HG2 H 1.690 0.000 1 495 59 59 ARG N N 123.049 0.003 1 496 60 60 ARG C C 176.341 0.000 1 497 60 60 ARG CA C 56.816 0.004 1 498 60 60 ARG CB C 31.741 0.009 1 499 60 60 ARG CD C 44.087 0.000 1 500 60 60 ARG CG C 27.985 0.000 1 501 60 60 ARG H H 8.635 0.001 1 502 60 60 ARG HA H 4.366 0.000 1 503 60 60 ARG HB2 H 1.861 0.000 1 504 60 60 ARG HD2 H 3.234 0.000 1 505 60 60 ARG HG2 H 1.696 0.000 1 506 60 60 ARG N N 123.625 0.004 1 507 61 61 TYR C C 175.691 0.008 1 508 61 61 TYR CA C 58.591 0.013 1 509 61 61 TYR CB C 39.656 0.018 1 510 61 61 TYR H H 8.424 0.001 1 511 61 61 TYR HA H 4.336 0.000 1 512 61 61 TYR HB2 H 3.010 0.000 1 513 61 61 TYR N N 121.894 0.003 1 514 62 62 GLU C C 176.219 0.022 1 515 62 62 GLU CA C 57.013 0.012 1 516 62 62 GLU CB C 31.396 0.021 1 517 62 62 GLU CG C 36.971 0.000 1 518 62 62 GLU H H 8.480 0.002 1 519 62 62 GLU HA H 4.404 0.000 1 520 62 62 GLU HG2 H 2.297 0.000 1 521 62 62 GLU N N 123.083 0.019 1 522 63 63 SER C C 174.645 0.002 1 523 63 63 SER CA C 59.046 0.015 1 524 63 63 SER CB C 64.690 0.013 1 525 63 63 SER H H 8.405 0.001 1 526 63 63 SER HA H 4.522 0.000 1 527 63 63 SER HB2 H 3.942 0.000 1 528 63 63 SER N N 117.107 0.002 1 529 64 64 SER C C 174.645 0.002 1 530 64 64 SER CA C 59.128 0.020 1 531 64 64 SER CB C 64.689 0.025 1 532 64 64 SER H H 8.498 0.001 1 533 64 64 SER HA H 4.500 0.000 1 534 64 64 SER HB2 H 3.935 0.000 1 535 64 64 SER N N 117.980 0.007 1 536 65 65 LYS C C 176.554 0.050 1 537 65 65 LYS CA C 57.199 0.002 1 538 65 65 LYS CB C 33.921 0.025 1 539 65 65 LYS CD C 30.251 0.000 1 540 65 65 LYS CG C 25.572 0.000 1 541 65 65 LYS H H 8.422 0.001 1 542 65 65 LYS HA H 4.330 0.000 1 543 65 65 LYS HB2 H 1.878 0.000 1 544 65 65 LYS HG2 H 1.460 0.000 1 545 65 65 LYS N N 123.254 0.004 1 546 66 66 SER C C 174.534 0.041 1 547 66 66 SER CA C 59.104 0.027 1 548 66 66 SER CB C 64.728 0.035 1 549 66 66 SER H H 8.457 0.002 1 550 66 66 SER HA H 4.532 0.000 1 551 66 66 SER HB2 H 3.933 0.000 1 552 66 66 SER N N 116.965 0.004 1 553 67 67 ASP C C 176.199 0.004 1 554 67 67 ASP CA C 55.453 0.007 1 555 67 67 ASP CB C 41.707 0.035 1 556 67 67 ASP H H 8.491 0.002 1 557 67 67 ASP HA H 4.388 0.000 1 558 67 67 ASP HB2 H 2.730 0.000 1 559 67 67 ASP N N 122.795 0.005 1 560 68 68 LEU C C 177.143 0.003 1 561 68 68 LEU CA C 56.010 0.016 1 562 68 68 LEU CB C 43.194 0.008 1 563 68 68 LEU CD1 C 24.052 0.000 1 564 68 68 LEU CG C 27.651 0.000 1 565 68 68 LEU H H 8.104 0.002 1 566 68 68 LEU HA H 4.284 0.000 1 567 68 68 LEU HB2 H 1.640 0.000 1 568 68 68 LEU HD1 H 0.920 0.000 1 569 68 68 LEU N N 120.996 0.003 1 570 69 69 ASP C C 176.099 0.011 1 571 69 69 ASP CA C 55.158 0.001 1 572 69 69 ASP CB C 41.851 0.009 1 573 69 69 ASP H H 8.348 0.001 1 574 69 69 ASP HA H 4.691 0.000 1 575 69 69 ASP HB2 H 2.711 0.000 1 576 69 69 ASP N N 121.207 0.003 1 577 70 70 ILE C C 176.125 0.015 1 578 70 70 ILE CA C 61.926 0.036 1 579 70 70 ILE CB C 39.827 0.017 1 580 70 70 ILE CD1 C 13.874 0.000 1 581 70 70 ILE CG1 C 27.969 0.000 1 582 70 70 ILE CG2 C 18.297 0.000 1 583 70 70 ILE H H 7.968 0.002 1 584 70 70 ILE HA H 4.232 0.000 1 585 70 70 ILE HB H 1.913 0.000 1 586 70 70 ILE HG12 H 0.946 0.000 1 587 70 70 ILE N N 119.978 0.009 1 588 71 71 GLU C C 176.614 0.006 1 589 71 71 GLU CA C 57.365 0.014 1 590 71 71 GLU CB C 31.043 0.011 1 591 71 71 GLU CG C 37.117 0.000 1 592 71 71 GLU H H 8.530 0.002 1 593 71 71 GLU HA H 4.410 0.000 1 594 71 71 GLU HB2 H 2.035 0.000 1 595 71 71 GLU HG2 H 2.332 0.000 1 596 71 71 GLU N N 124.462 0.002 1 597 72 72 THR C C 174.036 0.001 1 598 72 72 THR CA C 62.557 0.010 1 599 72 72 THR CB C 70.777 0.006 1 600 72 72 THR CG2 C 21.983 0.000 1 601 72 72 THR H H 8.175 0.002 1 602 72 72 THR HA H 4.351 0.000 1 603 72 72 THR HB H 4.166 0.000 1 604 72 72 THR HG2 H 1.173 0.000 1 605 72 72 THR N N 115.247 0.006 1 606 73 73 ASP C C 176.016 0.010 1 607 73 73 ASP CA C 54.886 0.045 1 608 73 73 ASP CB C 42.010 0.015 1 609 73 73 ASP H H 8.420 0.003 1 610 73 73 ASP HA H 4.695 0.000 1 611 73 73 ASP HB2 H 2.668 0.000 1 612 73 73 ASP N N 122.867 0.005 1 613 74 74 TYR C C 175.884 0.026 1 614 74 74 TYR CA C 58.887 0.015 1 615 74 74 TYR CB C 39.633 0.012 1 616 74 74 TYR H H 8.181 0.002 1 617 74 74 TYR HA H 4.510 0.000 1 618 74 74 TYR HB2 H 3.031 0.000 1 619 74 74 TYR N N 120.830 0.006 1 620 75 75 GLU C C 176.060 0.018 1 621 75 75 GLU CA C 57.228 0.008 1 622 75 75 GLU CB C 31.199 0.017 1 623 75 75 GLU CG C 37.067 0.000 1 624 75 75 GLU H H 8.387 0.002 1 625 75 75 GLU HA H 4.297 0.000 1 626 75 75 GLU HB2 H 2.021 0.000 1 627 75 75 GLU HG2 H 2.256 0.000 1 628 75 75 GLU N N 122.386 0.014 1 629 76 76 ASP C C 176.407 0.040 1 630 76 76 ASP CA C 55.135 0.013 1 631 76 76 ASP CB C 42.087 0.014 1 632 76 76 ASP H H 8.358 0.001 1 633 76 76 ASP HA H 4.661 0.000 1 634 76 76 ASP HB2 H 2.729 0.000 1 635 76 76 ASP N N 121.813 0.003 1 636 77 77 GLN C C 175.954 0.003 1 637 77 77 GLN CA C 56.650 0.009 1 638 77 77 GLN CB C 30.055 0.006 1 639 77 77 GLN CG C 34.480 0.000 1 640 77 77 GLN H H 8.385 0.001 1 641 77 77 GLN HA H 4.345 0.000 1 642 77 77 GLN HB2 H 1.998 0.000 1 643 77 77 GLN HG2 H 2.409 0.000 1 644 77 77 GLN N N 120.954 0.004 1 645 78 78 ALA C C 178.211 0.011 1 646 78 78 ALA CA C 53.582 0.019 1 647 78 78 ALA CB C 19.894 0.007 1 648 78 78 ALA H H 8.358 0.001 1 649 78 78 ALA HA H 4.255 0.000 1 650 78 78 ALA HB H 1.456 0.000 1 651 78 78 ALA N N 124.651 0.004 1 652 79 79 GLY C C 173.931 0.036 1 653 79 79 GLY CA C 45.967 0.013 1 654 79 79 GLY H H 8.327 0.003 1 655 79 79 GLY HA2 H 3.977 0.000 1 656 79 79 GLY N N 107.563 0.009 1 657 80 80 ASN C C 175.263 0.004 1 658 80 80 ASN CA C 53.942 0.016 1 659 80 80 ASN CB C 39.687 0.001 1 660 80 80 ASN H H 8.339 0.002 1 661 80 80 ASN HA H 4.756 0.000 1 662 80 80 ASN HB2 H 2.822 0.000 1 663 80 80 ASN N N 118.715 0.003 1 664 81 81 LEU C C 177.203 0.010 1 665 81 81 LEU CA C 55.924 0.004 1 666 81 81 LEU CB C 43.195 0.007 1 667 81 81 LEU CD1 C 25.447 0.000 2 668 81 81 LEU CD2 C 24.102 0.000 2 669 81 81 LEU CG C 27.805 0.000 1 670 81 81 LEU H H 8.335 0.001 1 671 81 81 LEU HA H 4.370 0.000 1 672 81 81 LEU HB2 H 1.653 0.000 1 673 81 81 LEU HD1 H 0.948 0.000 1 674 81 81 LEU N N 122.722 0.012 1 675 82 82 GLU C C 176.332 0.002 1 676 82 82 GLU CA C 57.157 0.008 1 677 82 82 GLU CB C 30.775 0.013 1 678 82 82 GLU CG C 37.071 0.000 1 679 82 82 GLU H H 8.498 0.001 1 680 82 82 GLU HA H 4.313 0.000 1 681 82 82 GLU HB2 H 2.014 0.000 1 682 82 82 GLU HG2 H 2.305 0.000 1 683 82 82 GLU N N 122.203 0.001 1 684 83 83 ILE C C 176.024 0.003 1 685 83 83 ILE CA C 61.728 0.050 1 686 83 83 ILE CB C 39.571 0.017 1 687 83 83 ILE CD1 C 13.458 0.000 1 688 83 83 ILE CG1 C 27.980 0.000 1 689 83 83 ILE CG2 C 18.168 0.000 1 690 83 83 ILE H H 8.169 0.002 1 691 83 83 ILE HA H 4.242 0.000 1 692 83 83 ILE HB H 1.898 0.000 1 693 83 83 ILE HG12 H 0.945 0.000 1 694 83 83 ILE N N 121.742 0.007 1 695 84 84 GLU C C 176.568 0.006 1 696 84 84 GLU CA C 57.216 0.009 1 697 84 84 GLU CB C 31.212 0.076 1 698 84 84 GLU CG C 37.079 0.000 1 699 84 84 GLU H H 8.604 0.001 1 700 84 84 GLU HA H 4.461 0.000 1 701 84 84 GLU HB2 H 2.060 0.000 1 702 84 84 GLU HG2 H 2.317 0.000 1 703 84 84 GLU N N 125.391 0.002 1 704 85 85 THR C C 174.557 0.006 1 705 85 85 THR CA C 62.500 0.015 1 706 85 85 THR CB C 70.783 0.007 1 707 85 85 THR CG2 C 22.327 0.000 1 708 85 85 THR H H 8.269 0.002 1 709 85 85 THR HA H 4.413 0.000 1 710 85 85 THR HG2 H 1.255 0.000 1 711 85 85 THR N N 115.561 0.003 1 712 86 86 GLU C C 176.158 0.006 1 713 86 86 GLU CA C 57.304 0.046 1 714 86 86 GLU CB C 31.308 0.064 1 715 86 86 GLU CG C 37.022 0.000 1 716 86 86 GLU H H 8.469 0.001 1 717 86 86 GLU N N 123.429 0.002 1 718 87 87 ASN C C 175.280 0.000 1 719 87 87 ASN CA C 53.981 0.055 1 720 87 87 ASN CB C 39.843 0.054 1 721 87 87 ASN H H 8.570 0.002 1 722 87 87 ASN HA H 4.703 0.000 1 723 87 87 ASN HB2 H 2.822 0.000 1 724 87 87 ASN N N 120.228 0.006 1 725 88 88 GLU C C 176.472 0.048 1 726 88 88 GLU CA C 57.506 0.005 1 727 88 88 GLU CB C 31.040 0.014 1 728 88 88 GLU CG C 37.078 0.000 1 729 88 88 GLU H H 8.604 0.002 1 730 88 88 GLU HA H 4.335 0.000 1 731 88 88 GLU HB2 H 2.016 0.000 1 732 88 88 GLU HG2 H 2.331 0.000 1 733 88 88 GLU N N 122.290 0.015 1 734 89 89 GLU C C 176.589 0.016 1 735 89 89 GLU CA C 57.415 0.009 1 736 89 89 GLU CB C 31.095 0.003 1 737 89 89 GLU CG C 37.108 0.000 1 738 89 89 GLU H H 8.495 0.002 1 739 89 89 GLU HA H 4.320 0.000 1 740 89 89 GLU HB2 H 2.013 0.000 1 741 89 89 GLU HG2 H 2.327 0.000 1 742 89 89 GLU N N 121.801 0.011 1 743 90 90 GLU C C 176.280 0.017 1 744 90 90 GLU CA C 57.319 0.002 1 745 90 90 GLU CB C 31.129 0.005 1 746 90 90 GLU CG C 37.087 0.000 1 747 90 90 GLU H H 8.465 0.002 1 748 90 90 GLU HA H 4.310 0.000 1 749 90 90 GLU HB2 H 2.004 0.000 1 750 90 90 GLU HG2 H 2.325 0.000 1 751 90 90 GLU N N 122.224 0.003 1 752 91 91 ALA C C 177.701 0.007 1 753 91 91 ALA CA C 53.145 0.003 1 754 91 91 ALA CB C 20.106 0.024 1 755 91 91 ALA H H 8.350 0.001 1 756 91 91 ALA HA H 4.368 0.000 1 757 91 91 ALA HB H 1.435 0.000 1 758 91 91 ALA N N 125.371 0.002 1 759 92 92 GLU C C 176.590 0.010 1 760 92 92 GLU CA C 57.226 0.011 1 761 92 92 GLU CB C 31.012 0.020 1 762 92 92 GLU CG C 37.078 0.000 1 763 92 92 GLU H H 8.460 0.003 1 764 92 92 GLU HA H 4.319 0.000 1 765 92 92 GLU HB2 H 2.043 0.000 1 766 92 92 GLU HG2 H 2.336 0.000 1 767 92 92 GLU N N 120.534 0.003 1 768 93 93 MET C C 176.222 0.018 1 769 93 93 MET CA C 56.233 0.026 1 770 93 93 MET CB C 34.028 0.009 1 771 93 93 MET CG C 32.699 0.000 1 772 93 93 MET H H 8.452 0.001 1 773 93 93 MET HA H 4.527 0.000 1 774 93 93 MET HB2 H 2.047 0.000 1 775 93 93 MET HG2 H 2.615 0.000 1 776 93 93 MET N N 121.714 0.004 1 777 94 94 GLU C C 176.575 0.011 1 778 94 94 GLU CA C 57.372 0.019 1 779 94 94 GLU CB C 31.044 0.013 1 780 94 94 GLU CG C 37.138 0.000 1 781 94 94 GLU H H 8.630 0.002 1 782 94 94 GLU HA H 4.406 0.000 1 783 94 94 GLU HB2 H 2.042 0.000 1 784 94 94 GLU HG2 H 2.362 0.000 1 785 94 94 GLU N N 122.719 0.008 1 786 95 95 THR C C 174.436 0.010 1 787 95 95 THR CA C 62.513 0.002 1 788 95 95 THR CB C 70.706 0.018 1 789 95 95 THR CG2 C 22.282 0.000 1 790 95 95 THR H H 8.240 0.002 1 791 95 95 THR HA H 4.403 0.000 1 792 95 95 THR HG2 H 1.261 0.000 1 793 95 95 THR N N 115.051 0.003 1 794 96 96 GLU C C 176.146 0.019 1 795 96 96 GLU CA C 57.249 0.009 1 796 96 96 GLU CB C 31.215 0.028 1 797 96 96 GLU CG C 37.066 0.000 1 798 96 96 GLU H H 8.502 0.002 1 799 96 96 GLU HA H 4.408 0.000 1 800 96 96 GLU HB2 H 2.009 0.000 1 801 96 96 GLU HG2 H 2.294 0.000 1 802 96 96 GLU N N 123.352 0.007 1 803 97 97 VAL C C 176.129 0.000 1 804 97 97 VAL CA C 62.307 0.000 1 805 97 97 VAL CB C 33.312 0.000 1 806 97 97 VAL H H 8.241 0.001 1 807 97 97 VAL HA H 4.201 0.000 1 808 97 97 VAL HB H 2.120 0.000 1 809 97 97 VAL HG1 H 0.981 0.000 1 810 97 97 VAL N N 122.502 0.002 1 811 98 98 PRO C C 176.153 0.000 1 812 98 98 PRO CA C 63.772 0.004 1 813 98 98 PRO CB C 32.829 0.001 1 814 98 98 PRO CD C 51.806 0.000 1 815 98 98 PRO CG C 28.126 0.000 1 816 99 99 ALA C C 177.799 0.000 1 817 99 99 ALA CA C 51.342 0.000 1 818 99 99 ALA CB C 18.566 0.000 1 819 99 99 ALA H H 8.413 0.004 1 820 99 99 ALA HA H 4.331 0.000 1 821 99 99 ALA HB H 1.429 0.000 1 822 99 99 ALA N N 125.565 0.004 1 823 100 100 PRO C C 176.820 0.000 1 824 100 100 PRO CA C 63.788 0.002 1 825 100 100 PRO CB C 32.735 0.002 1 826 100 100 PRO CG C 28.097 0.000 1 827 101 101 VAL C C 176.317 0.004 1 828 101 101 VAL CA C 63.119 0.005 1 829 101 101 VAL CB C 33.448 0.013 1 830 101 101 VAL CG1 C 21.634 0.000 1 831 101 101 VAL H H 8.220 0.004 1 832 101 101 VAL HA H 4.102 0.000 1 833 101 101 VAL HG1 H 0.988 0.000 1 834 101 101 VAL N N 120.357 0.037 1 835 102 102 ARG C C 176.397 0.012 1 836 102 102 ARG CA C 56.588 0.022 1 837 102 102 ARG CB C 31.688 0.001 1 838 102 102 ARG CG C 28.051 0.000 1 839 102 102 ARG H H 8.506 0.002 1 840 102 102 ARG HA H 4.465 0.000 1 841 102 102 ARG HB2 H 1.810 0.000 1 842 102 102 ARG HD2 H 3.194 0.000 1 843 102 102 ARG HG2 H 1.681 0.000 1 844 102 102 ARG N N 125.078 0.003 1 845 103 103 THR C C 174.563 0.000 1 846 103 103 THR CA C 62.563 0.004 1 847 103 103 THR CB C 70.708 0.008 1 848 103 103 THR CG2 C 22.308 0.000 1 849 103 103 THR H H 8.275 0.003 1 850 103 103 THR HA H 4.411 0.000 1 851 103 103 THR HG2 H 1.255 0.000 1 852 103 103 THR N N 115.531 0.002 1 853 104 104 HIS C C 176.442 0.061 1 854 104 104 HIS CA C 56.789 0.010 1 855 104 104 HIS CB C 31.507 0.030 1 856 104 104 HIS H H 8.284 0.001 1 857 104 104 HIS N N 123.722 0.002 1 858 105 105 SER C C 174.316 0.010 1 859 105 105 SER CA C 58.902 0.029 1 860 105 105 SER CB C 64.582 0.005 1 861 105 105 SER H H 8.344 0.005 1 862 105 105 SER HA H 4.457 0.000 1 863 105 105 SER HB2 H 3.866 0.000 1 864 105 105 SER N N 117.032 0.003 1 865 106 106 TYR C C 175.494 0.040 1 866 106 106 TYR CA C 58.581 0.017 1 867 106 106 TYR CB C 39.576 0.022 1 868 106 106 TYR H H 8.336 0.001 1 869 106 106 TYR HA H 4.358 0.000 1 870 106 106 TYR HB2 H 3.135 0.000 1 871 106 106 TYR N N 122.465 0.003 1 872 107 107 ALA C C 177.608 0.013 1 873 107 107 ALA CA C 53.168 0.013 1 874 107 107 ALA CB C 19.975 0.006 1 875 107 107 ALA H H 8.290 0.001 1 876 107 107 ALA HA H 4.337 0.000 1 877 107 107 ALA HB H 1.393 0.000 1 878 107 107 ALA N N 124.953 0.006 1 879 108 108 LEU C C 177.216 0.019 1 880 108 108 LEU CA C 56.033 0.013 1 881 108 108 LEU CB C 43.117 0.010 1 882 108 108 LEU CD1 C 25.699 0.000 2 883 108 108 LEU CD2 C 24.073 0.000 2 884 108 108 LEU CG C 27.632 0.000 1 885 108 108 LEU H H 8.127 0.002 1 886 108 108 LEU HA H 4.349 0.000 1 887 108 108 LEU HB2 H 1.652 0.000 1 888 108 108 LEU HD1 H 0.936 0.000 1 889 108 108 LEU N N 121.094 0.007 1 890 109 109 ASP C C 176.331 0.026 1 891 109 109 ASP CA C 55.068 0.040 1 892 109 109 ASP CB C 41.987 0.022 1 893 109 109 ASP H H 8.332 0.001 1 894 109 109 ASP HA H 4.638 0.000 1 895 109 109 ASP HB2 H 2.711 0.000 1 896 109 109 ASP N N 120.750 0.003 1 897 110 110 ARG C C 175.970 0.018 1 898 110 110 ARG CA C 57.244 0.010 1 899 110 110 ARG CB C 31.424 0.011 1 900 110 110 ARG CD C 43.972 0.000 1 901 110 110 ARG CG C 27.646 0.000 1 902 110 110 ARG H H 8.190 0.002 1 903 110 110 ARG HA H 4.252 0.000 1 904 110 110 ARG HD2 H 3.055 0.000 1 905 110 110 ARG HG2 H 1.699 0.000 1 906 110 110 ARG N N 120.663 0.002 1 907 111 111 TYR C C 175.706 0.007 1 908 111 111 TYR CA C 58.576 0.021 1 909 111 111 TYR CB C 39.440 0.006 1 910 111 111 TYR H H 8.266 0.002 1 911 111 111 TYR HA H 4.619 0.000 1 912 111 111 TYR HB2 H 2.971 0.000 1 913 111 111 TYR N N 120.644 0.002 1 914 112 112 VAL C C 175.805 0.017 1 915 112 112 VAL CA C 63.037 0.017 1 916 112 112 VAL CB C 33.583 0.024 1 917 112 112 VAL CG1 C 21.662 0.000 1 918 112 112 VAL H H 8.043 0.003 1 919 112 112 VAL HA H 4.078 0.000 1 920 112 112 VAL HB H 2.034 0.000 1 921 112 112 VAL HG1 H 0.930 0.000 1 922 112 112 VAL N N 122.679 0.006 1 923 113 113 ARG C C 176.268 0.000 1 924 113 113 ARG CA C 56.964 0.000 1 925 113 113 ARG CB C 31.474 0.000 1 926 113 113 ARG H H 8.424 0.001 1 927 113 113 ARG HA H 4.338 0.000 1 928 113 113 ARG HB2 H 1.837 0.000 1 929 113 113 ARG HD2 H 3.232 0.000 1 930 113 113 ARG HG2 H 1.681 0.000 1 931 113 113 ARG N N 125.271 0.006 1 932 114 114 GLN C C 176.035 0.000 1 933 114 114 GLN CA C 56.459 0.009 1 934 114 114 GLN CB C 30.425 0.003 1 935 114 114 GLN CG C 34.501 0.000 1 936 115 115 LYS C C 176.551 0.011 1 937 115 115 LYS CA C 56.974 0.018 1 938 115 115 LYS CB C 33.911 0.009 1 939 115 115 LYS CD C 30.123 0.000 1 940 115 115 LYS CG C 25.599 0.000 1 941 115 115 LYS H H 8.524 0.002 1 942 115 115 LYS HA H 4.357 0.000 1 943 115 115 LYS HB2 H 1.787 0.000 1 944 115 115 LYS HG2 H 1.480 0.000 1 945 115 115 LYS N N 123.694 0.004 1 946 116 116 ARG C C 176.356 0.005 1 947 116 116 ARG CA C 56.934 0.004 1 948 116 116 ARG CB C 31.595 0.002 1 949 116 116 ARG CD C 44.170 0.000 1 950 116 116 ARG CG C 28.023 0.000 1 951 116 116 ARG H H 8.548 0.001 1 952 116 116 ARG HA H 4.436 0.000 1 953 116 116 ARG HB2 H 1.836 0.000 1 954 116 116 ARG HD2 H 3.229 0.000 1 955 116 116 ARG HG2 H 1.654 0.000 1 956 116 116 ARG N N 123.797 0.003 1 957 117 117 ARG C C 176.330 0.094 1 958 117 117 ARG CA C 56.995 0.039 1 959 117 117 ARG CB C 31.656 0.016 1 960 117 117 ARG CD C 44.162 0.000 1 961 117 117 ARG CG C 27.972 0.000 1 962 117 117 ARG H H 8.629 0.002 1 963 117 117 ARG HA H 4.365 0.000 1 964 117 117 ARG HB2 H 1.949 0.000 1 965 117 117 ARG HG2 H 1.707 0.000 1 966 117 117 ARG N N 123.250 0.003 1 967 118 118 GLU C C 176.300 0.000 1 968 118 118 GLU CA C 57.042 0.016 1 969 118 118 GLU CB C 31.502 0.097 1 970 118 118 GLU CG C 36.979 0.000 1 971 118 118 GLU H H 8.697 0.003 1 972 118 118 GLU HA H 4.361 0.000 1 973 118 118 GLU HB2 H 1.993 0.000 1 974 118 118 GLU HG2 H 2.319 0.000 1 975 118 118 GLU N N 123.013 0.008 1 976 119 119 LYS C C 176.589 0.020 1 977 119 119 LYS CA C 57.219 0.011 1 978 119 119 LYS CB C 33.896 0.026 1 979 119 119 LYS CG C 25.809 0.000 1 980 119 119 LYS H H 8.538 0.002 1 981 119 119 LYS HA H 4.334 0.000 1 982 119 119 LYS HB2 H 1.746 0.000 1 983 119 119 LYS HG2 H 1.496 0.000 1 984 119 119 LYS N N 123.080 0.003 1 985 120 120 GLN C C 176.047 0.001 1 986 120 120 GLN CA C 56.605 0.012 1 987 120 120 GLN CB C 30.380 0.029 1 988 120 120 GLN CG C 34.600 0.000 1 989 120 120 GLN H H 8.560 0.001 1 990 120 120 GLN HA H 4.365 0.000 1 991 120 120 GLN HB2 H 2.039 0.000 1 992 120 120 GLN HG2 H 2.419 0.000 1 993 120 120 GLN N N 122.306 0.002 1 994 121 121 ARG C C 176.306 0.000 1 995 121 121 ARG CA C 56.852 0.020 1 996 121 121 ARG CB C 31.654 0.033 1 997 121 121 ARG CD C 44.201 0.000 1 998 121 121 ARG CG C 28.064 0.000 1 999 121 121 ARG H H 8.612 0.001 1 1000 121 121 ARG HA H 4.385 0.000 1 1001 121 121 ARG HB2 H 1.836 0.000 1 1002 121 121 ARG HG2 H 1.712 0.000 1 1003 121 121 ARG N N 123.800 0.005 1 1004 122 122 LYS C C 176.274 0.000 1 1005 122 122 LYS CA C 57.291 0.024 1 1006 122 122 LYS CB C 33.945 0.006 1 1007 122 122 LYS CD C 29.969 0.000 1 1008 122 122 LYS CG C 25.737 0.000 1 1009 122 122 LYS H H 8.577 0.002 1 1010 122 122 LYS HA H 4.360 0.000 1 1011 122 122 LYS HB2 H 1.793 0.000 1 1012 122 122 LYS HG2 H 1.490 0.000 1 1013 122 122 LYS N N 123.660 0.004 1 1014 123 123 GLN C C 176.016 0.014 1 1015 123 123 GLN CA C 56.543 0.030 1 1016 123 123 GLN CB C 30.649 0.062 1 1017 123 123 GLN CG C 34.583 0.000 1 1018 123 123 GLN H H 8.626 0.002 1 1019 123 123 GLN HA H 4.398 0.000 1 1020 123 123 GLN HB2 H 2.053 0.000 1 1021 123 123 GLN HG2 H 2.382 0.000 1 1022 123 123 GLN N N 122.500 0.008 1 1023 124 124 SER C C 174.432 0.008 1 1024 124 124 SER CA C 59.002 0.006 1 1025 124 124 SER CB C 64.602 0.004 1 1026 124 124 SER H H 8.540 0.002 1 1027 124 124 SER HB2 H 3.929 0.000 1 1028 124 124 SER N N 118.024 0.004 1 1029 125 125 LEU C C 177.220 0.001 1 1030 125 125 LEU CA C 55.816 0.010 1 1031 125 125 LEU CB C 43.231 0.017 1 1032 125 125 LEU CD1 C 25.597 0.000 2 1033 125 125 LEU CD2 C 24.051 0.000 2 1034 125 125 LEU CG C 27.899 0.000 1 1035 125 125 LEU H H 8.422 0.003 1 1036 125 125 LEU HA H 4.442 0.000 1 1037 125 125 LEU HB2 H 1.652 0.000 1 1038 125 125 LEU N N 124.830 0.002 1 1039 126 126 LYS C C 176.294 0.000 1 1040 126 126 LYS CA C 57.028 0.000 1 1041 126 126 LYS CB C 33.966 0.000 1 1042 126 126 LYS H H 8.454 0.002 1 1043 126 126 LYS HA H 4.323 0.000 1 1044 126 126 LYS HB2 H 1.728 0.000 1 1045 126 126 LYS HG2 H 1.469 0.000 1 1046 126 126 LYS N N 123.017 0.001 1 1047 127 127 ARG C C 176.161 0.000 1 1048 127 127 ARG CA C 56.783 0.016 1 1049 127 127 ARG CB C 31.698 0.000 1 1050 128 128 VAL C C 176.001 0.015 1 1051 128 128 VAL CA C 62.918 0.009 1 1052 128 128 VAL CB C 33.699 0.035 1 1053 128 128 VAL CG1 C 21.590 0.000 1 1054 128 128 VAL H H 8.403 0.001 1 1055 128 128 VAL HA H 4.159 0.000 1 1056 128 128 VAL HB H 2.084 0.000 1 1057 128 128 VAL HG1 H 0.967 0.000 1 1058 128 128 VAL N N 122.883 0.004 1 1059 129 129 GLU C C 176.077 0.013 1 1060 129 129 GLU CA C 56.975 0.003 1 1061 129 129 GLU CB C 31.259 0.042 1 1062 129 129 GLU CG C 36.931 0.000 1 1063 129 129 GLU H H 8.600 0.002 1 1064 129 129 GLU HA H 4.363 0.000 1 1065 129 129 GLU HB2 H 1.994 0.000 1 1066 129 129 GLU HG2 H 2.301 0.000 1 1067 129 129 GLU N N 125.970 0.002 1 1068 130 130 LYS C C 176.107 0.013 1 1069 130 130 LYS CA C 56.979 0.002 1 1070 130 130 LYS CB C 33.929 0.024 1 1071 130 130 LYS CG C 25.586 0.000 1 1072 130 130 LYS H H 8.464 0.002 1 1073 130 130 LYS HA H 4.342 0.000 1 1074 130 130 LYS HB2 H 1.739 0.000 1 1075 130 130 LYS HG2 H 1.392 0.000 1 1076 130 130 LYS N N 123.720 0.004 1 1077 131 131 LYS C C 176.125 0.005 1 1078 131 131 LYS CA C 57.007 0.036 1 1079 131 131 LYS CB C 33.995 0.015 1 1080 131 131 LYS CD C 28.052 0.000 1 1081 131 131 LYS CG C 25.651 0.000 1 1082 131 131 LYS H H 8.456 0.002 1 1083 131 131 LYS HA H 4.359 0.000 1 1084 131 131 LYS HB2 H 1.740 0.000 1 1085 131 131 LYS HG2 H 1.415 0.000 1 1086 131 131 LYS N N 123.483 0.004 1 1087 132 132 TYR C C 175.778 0.004 1 1088 132 132 TYR CA C 58.575 0.057 1 1089 132 132 TYR CB C 39.886 0.010 1 1090 132 132 TYR H H 8.527 0.001 1 1091 132 132 TYR HA H 4.349 0.000 1 1092 132 132 TYR HB2 H 3.007 0.000 1 1093 132 132 TYR N N 122.879 0.003 1 1094 133 133 THR C C 172.645 0.000 1 1095 133 133 THR CA C 60.303 0.000 1 1096 133 133 THR CB C 70.493 0.000 1 1097 133 133 THR H H 8.411 0.002 1 1098 133 133 THR HA H 4.239 0.000 1 1099 133 133 THR HG2 H 1.281 0.000 1 1100 133 133 THR N N 119.344 0.005 1 1101 134 134 PRO C C 177.340 0.000 1 1102 134 134 PRO CA C 64.288 0.000 1 1103 134 134 PRO CB C 32.827 0.007 1 1104 134 134 PRO CG C 28.205 0.000 1 1105 135 135 SER C C 175.177 0.001 1 1106 135 135 SER CA C 59.941 0.072 1 1107 135 135 SER CB C 64.279 0.062 1 1108 135 135 SER H H 8.384 0.002 1 1109 135 135 SER HA H 4.407 0.000 1 1110 135 135 SER HB2 H 3.924 0.000 1 1111 135 135 SER N N 115.322 0.004 1 1112 136 136 GLU C C 176.734 0.048 1 1113 136 136 GLU CA C 57.646 0.058 1 1114 136 136 GLU CB C 31.042 0.032 1 1115 136 136 GLU CG C 37.276 0.000 1 1116 136 136 GLU H H 8.439 0.003 1 1117 136 136 GLU HA H 4.290 0.000 1 1118 136 136 GLU HB2 H 2.100 0.000 1 1119 136 136 GLU HG2 H 2.328 0.000 1 1120 136 136 GLU N N 122.748 0.002 1 1121 137 137 LEU C C 177.249 0.024 1 1122 137 137 LEU CA C 56.107 0.032 1 1123 137 137 LEU CB C 43.073 0.026 1 1124 137 137 LEU CD1 C 25.554 0.000 2 1125 137 137 LEU CD2 C 24.128 0.000 2 1126 137 137 LEU CG C 27.659 0.000 1 1127 137 137 LEU H H 8.144 0.003 1 1128 137 137 LEU HA H 4.318 0.000 1 1129 137 137 LEU HB2 H 1.641 0.000 1 1130 137 137 LEU N N 121.831 0.005 1 1131 138 138 ALA C C 177.805 0.011 1 1132 138 138 ALA CA C 53.294 0.015 1 1133 138 138 ALA CB C 19.624 0.018 1 1134 138 138 ALA H H 8.198 0.002 1 1135 138 138 ALA HA H 4.291 0.000 1 1136 138 138 ALA HB H 1.379 0.000 1 1137 138 138 ALA N N 124.158 0.006 1 1138 139 139 LEU C C 177.301 0.003 1 1139 139 139 LEU CA C 56.389 0.020 1 1140 139 139 LEU CB C 43.031 0.001 1 1141 139 139 LEU CD1 C 25.373 0.000 2 1142 139 139 LEU CD2 C 24.284 0.000 2 1143 139 139 LEU CG C 27.487 0.000 1 1144 139 139 LEU H H 8.040 0.001 1 1145 139 139 LEU HA H 4.252 0.000 1 1146 139 139 LEU HB2 H 1.543 0.000 1 1147 139 139 LEU N N 120.717 0.005 1 1148 140 140 TYR C C 175.783 0.001 1 1149 140 140 TYR CA C 58.527 0.025 1 1150 140 140 TYR CB C 39.469 0.005 1 1151 140 140 TYR H H 8.013 0.001 1 1152 140 140 TYR HA H 4.600 0.000 1 1153 140 140 TYR HB2 H 3.133 0.000 2 1154 140 140 TYR HB3 H 2.965 0.000 2 1155 140 140 TYR N N 119.296 0.007 1 1156 141 141 GLU C C 176.276 0.004 1 1157 141 141 GLU CA C 57.293 0.004 1 1158 141 141 GLU CB C 31.297 0.006 1 1159 141 141 GLU CG C 37.166 0.000 1 1160 141 141 GLU H H 8.209 0.001 1 1161 141 141 GLU HA H 4.305 0.000 1 1162 141 141 GLU HB2 H 2.025 0.000 2 1163 141 141 GLU HB3 H 2.261 0.000 2 1164 141 141 GLU N N 121.848 0.014 1 1165 142 142 ILE C C 176.407 0.021 1 1166 142 142 ILE CA C 62.147 0.017 1 1167 142 142 ILE CB C 39.348 0.005 1 1168 142 142 ILE CG1 C 28.322 0.000 1 1169 142 142 ILE CG2 C 18.188 0.000 1 1170 142 142 ILE H H 8.188 0.002 1 1171 142 142 ILE HA H 4.145 0.000 1 1172 142 142 ILE HB H 1.878 0.000 1 1173 142 142 ILE HG12 H 0.940 0.000 1 1174 142 142 ILE N N 122.358 0.005 1 1175 143 143 ARG C C 176.161 0.010 1 1176 143 143 ARG CA C 56.824 0.021 1 1177 143 143 ARG CB C 31.533 0.027 1 1178 143 143 ARG CD C 44.056 0.000 1 1179 143 143 ARG CG C 28.068 0.000 1 1180 143 143 ARG H H 8.451 0.001 1 1181 143 143 ARG HA H 4.349 0.000 1 1182 143 143 ARG HB2 H 1.730 0.000 1 1183 143 143 ARG N N 125.123 0.001 1 1184 144 144 LYS C C 176.224 0.000 1 1185 144 144 LYS CA C 57.213 0.003 1 1186 144 144 LYS CB C 33.888 0.036 1 1187 144 144 LYS CD C 27.705 0.000 1 1188 144 144 LYS CG C 25.549 0.000 1 1189 144 144 LYS H H 8.340 0.001 1 1190 144 144 LYS N N 122.694 0.001 1 1191 145 145 TYR C C 175.706 0.000 1 1192 145 145 TYR CA C 58.637 0.000 1 1193 145 145 TYR CB C 39.589 0.000 1 1194 145 145 TYR H H 8.274 0.002 1 1195 145 145 TYR HA H 4.914 0.000 1 1196 145 145 TYR HB2 H 2.968 0.000 1 1197 145 145 TYR N N 121.001 0.006 1 1198 146 146 GLN C C 175.577 0.000 1 1199 146 146 GLN CA C 56.425 0.000 1 1200 146 146 GLN CB C 30.587 0.010 1 1201 147 147 ARG C C 176.590 0.009 1 1202 147 147 ARG CA C 56.958 0.003 1 1203 147 147 ARG CB C 31.722 0.025 1 1204 147 147 ARG CD C 44.184 0.000 1 1205 147 147 ARG CG C 27.985 0.000 1 1206 147 147 ARG H H 8.510 0.001 1 1207 147 147 ARG N N 123.016 0.003 1 1208 148 148 SER C C 175.092 0.017 1 1209 148 148 SER CA C 59.324 0.050 1 1210 148 148 SER CB C 64.553 0.036 1 1211 148 148 SER H H 8.608 0.002 1 1212 148 148 SER HA H 4.291 0.000 1 1213 148 148 SER HB2 H 3.914 0.000 1 1214 148 148 SER N N 117.699 0.024 1 1215 149 149 THR C C 174.380 0.023 1 1216 149 149 THR CA C 62.754 0.029 1 1217 149 149 THR CB C 70.366 0.034 1 1218 149 149 THR CG2 C 22.317 0.000 1 1219 149 149 THR H H 8.217 0.001 1 1220 149 149 THR HA H 4.381 0.000 1 1221 149 149 THR HG2 H 1.254 0.000 1 1222 149 149 THR N N 114.922 0.006 1 1223 150 150 ASP C C 176.147 0.000 1 1224 150 150 ASP CA C 55.311 0.011 1 1225 150 150 ASP CB C 41.966 0.015 1 1226 150 150 ASP H H 8.313 0.001 1 1227 150 150 ASP HA H 4.678 0.000 1 1228 150 150 ASP HB2 H 2.689 0.000 1 1229 150 150 ASP N N 122.622 0.002 1 1230 151 151 LEU C C 177.125 0.001 1 1231 151 151 LEU CA C 55.947 0.013 1 1232 151 151 LEU CB C 43.107 0.001 1 1233 151 151 LEU CD1 C 25.504 0.000 2 1234 151 151 LEU CD2 C 24.211 0.000 2 1235 151 151 LEU CG C 27.633 0.000 1 1236 151 151 LEU H H 8.151 0.001 1 1237 151 151 LEU HA H 4.322 0.000 1 1238 151 151 LEU HB2 H 1.642 0.000 1 1239 151 151 LEU HG H 0.945 0.000 1 1240 151 151 LEU N N 122.141 0.005 1 1241 152 152 LEU C C 177.176 0.014 1 1242 152 152 LEU CA C 56.031 0.023 1 1243 152 152 LEU CB C 42.929 0.005 1 1244 152 152 LEU CD1 C 25.541 0.000 2 1245 152 152 LEU CD2 C 24.235 0.000 2 1246 152 152 LEU CG C 27.608 0.000 1 1247 152 152 LEU H H 8.325 0.002 1 1248 152 152 LEU HA H 4.423 0.000 1 1249 152 152 LEU HB2 H 1.657 0.000 1 1250 152 152 LEU HG H 0.938 0.000 1 1251 152 152 LEU N N 123.221 0.005 1 1252 153 153 ILE C C 176.239 0.003 1 1253 153 153 ILE CA C 61.864 0.021 1 1254 153 153 ILE CB C 39.498 0.030 1 1255 153 153 ILE CG1 C 28.087 0.000 1 1256 153 153 ILE CG2 C 18.217 0.000 1 1257 153 153 ILE H H 8.174 0.001 1 1258 153 153 ILE HA H 4.230 0.000 1 1259 153 153 ILE HB H 1.885 0.000 1 1260 153 153 ILE HG12 H 0.943 0.000 1 1261 153 153 ILE N N 121.938 0.003 1 1262 154 154 SER C C 174.469 0.029 1 1263 154 154 SER CA C 58.941 0.051 1 1264 154 154 SER CB C 64.705 0.019 1 1265 154 154 SER H H 8.389 0.002 1 1266 154 154 SER HA H 4.509 0.000 1 1267 154 154 SER HB2 H 3.877 0.000 1 1268 154 154 SER N N 119.797 0.008 1 1269 155 155 LYS C C 176.395 0.006 1 1270 155 155 LYS CA C 57.023 0.048 1 1271 155 155 LYS CB C 33.860 0.013 1 1272 155 155 LYS CE C 41.995 0.000 1 1273 155 155 LYS CG C 25.721 0.000 1 1274 155 155 LYS H H 8.421 0.001 1 1275 155 155 LYS HA H 4.386 0.000 1 1276 155 155 LYS HB2 H 1.795 0.000 1 1277 155 155 LYS HG2 H 1.479 0.000 1 1278 155 155 LYS N N 123.797 0.014 1 1279 156 156 ILE C C 176.337 0.000 1 1280 156 156 ILE CA C 59.447 0.000 1 1281 156 156 ILE CB C 39.363 0.000 1 1282 156 156 ILE H H 8.227 0.001 1 1283 156 156 ILE HA H 4.318 0.000 1 1284 156 156 ILE HB H 1.833 0.000 1 1285 156 156 ILE HG12 H 0.938 0.000 1 1286 156 156 ILE N N 123.287 0.006 1 1287 157 157 PRO C C 176.530 0.000 1 1288 157 157 PRO CA C 63.825 0.000 1 1289 157 157 PRO CB C 32.671 0.005 1 1290 157 157 PRO CG C 28.051 0.000 1 1291 158 158 PHE C C 175.591 0.003 1 1292 158 158 PHE CA C 58.742 0.009 1 1293 158 158 PHE CB C 40.072 0.056 1 1294 158 158 PHE H H 8.206 0.001 1 1295 158 158 PHE HA H 4.559 0.000 1 1296 158 158 PHE HB2 H 3.122 0.000 1 1297 158 158 PHE N N 120.624 0.002 1 1298 159 159 ALA C C 177.142 0.006 1 1299 159 159 ALA CA C 53.131 0.031 1 1300 159 159 ALA CB C 20.001 0.051 1 1301 159 159 ALA H H 8.285 0.002 1 1302 159 159 ALA HA H 4.334 0.000 1 1303 159 159 ALA HB H 1.395 0.000 1 1304 159 159 ALA N N 125.244 0.011 1 1305 160 160 ARG C C 176.079 0.003 1 1306 160 160 ARG CA C 56.526 0.018 1 1307 160 160 ARG CB C 31.510 0.002 1 1308 160 160 ARG CD C 44.210 0.000 1 1309 160 160 ARG CG C 28.028 0.000 1 1310 160 160 ARG H H 8.286 0.001 1 1311 160 160 ARG HA H 4.358 0.000 1 1312 160 160 ARG HB2 H 1.828 0.000 1 1313 160 160 ARG HD2 H 3.193 0.000 1 1314 160 160 ARG HG2 H 1.690 0.000 1 1315 160 160 ARG N N 120.522 0.009 1 1316 161 161 LEU C C 177.075 0.012 1 1317 161 161 LEU CA C 55.861 0.056 1 1318 161 161 LEU CB C 43.128 0.017 1 1319 161 161 LEU CD1 C 24.191 0.000 1 1320 161 161 LEU CG C 27.765 0.000 1 1321 161 161 LEU H H 8.377 0.001 1 1322 161 161 LEU HA H 4.435 0.000 1 1323 161 161 LEU HB2 H 1.631 0.000 1 1324 161 161 LEU N N 124.269 0.006 1 1325 162 162 VAL C C 175.927 0.007 1 1326 162 162 VAL CA C 62.903 0.007 1 1327 162 162 VAL CB C 33.579 0.022 1 1328 162 162 VAL CG1 C 21.588 0.000 1 1329 162 162 VAL H H 8.291 0.001 1 1330 162 162 VAL HA H 4.155 0.000 1 1331 162 162 VAL HB H 2.086 0.000 1 1332 162 162 VAL HG1 H 0.964 0.000 1 1333 162 162 VAL N N 122.027 0.040 1 1334 163 163 LYS C C 176.198 0.018 1 1335 163 163 LYS CA C 57.044 0.007 1 1336 163 163 LYS CB C 33.922 0.021 1 1337 163 163 LYS CD C 29.905 0.000 1 1338 163 163 LYS CG C 25.635 0.000 1 1339 163 163 LYS H H 8.454 0.003 1 1340 163 163 LYS HA H 4.387 0.000 1 1341 163 163 LYS HB2 H 1.786 0.000 1 1342 163 163 LYS HG2 H 1.455 0.000 1 1343 163 163 LYS N N 125.716 0.001 1 1344 164 164 GLU C C 176.321 0.039 1 1345 164 164 GLU CA C 57.239 0.005 1 1346 164 164 GLU CB C 31.219 0.010 1 1347 164 164 GLU CG C 37.039 0.000 1 1348 164 164 GLU H H 8.582 0.001 1 1349 164 164 GLU HA H 4.369 0.000 1 1350 164 164 GLU HB2 H 2.038 0.000 1 1351 164 164 GLU HG2 H 2.309 0.000 1 1352 164 164 GLU N N 123.175 0.003 1 1353 165 165 VAL C C 176.263 0.016 1 1354 165 165 VAL CA C 63.062 0.013 1 1355 165 165 VAL CB C 33.572 0.019 1 1356 165 165 VAL CG1 C 21.866 0.000 2 1357 165 165 VAL CG2 C 21.307 0.000 2 1358 165 165 VAL H H 8.363 0.001 1 1359 165 165 VAL HA H 4.257 0.000 1 1360 165 165 VAL HG1 H 0.993 0.000 1 1361 165 165 VAL N N 121.513 0.003 1 1362 166 166 THR C C 174.237 0.001 1 1363 166 166 THR CA C 62.052 0.014 1 1364 166 166 THR CB C 70.735 0.006 1 1365 166 166 THR CG2 C 22.148 0.000 1 1366 166 166 THR H H 8.273 0.001 1 1367 166 166 THR HA H 4.291 0.000 1 1368 166 166 THR HG2 H 1.242 0.000 1 1369 166 166 THR N N 117.398 0.007 1 1370 167 167 ASP C C 176.184 0.001 1 1371 167 167 ASP CA C 54.897 0.023 1 1372 167 167 ASP CB C 42.096 0.016 1 1373 167 167 ASP H H 8.373 0.001 1 1374 167 167 ASP HA H 4.689 0.000 1 1375 167 167 ASP HB2 H 2.697 0.000 1 1376 167 167 ASP N N 122.619 0.003 1 1377 168 168 GLU C C 176.273 0.001 1 1378 168 168 GLU CA C 57.596 0.004 1 1379 168 168 GLU CB C 30.951 0.010 1 1380 168 168 GLU CG C 36.914 0.000 1 1381 168 168 GLU H H 8.452 0.001 1 1382 168 168 GLU HA H 4.227 0.000 1 1383 168 168 GLU HB2 H 1.973 0.000 1 1384 168 168 GLU N N 121.083 0.003 1 1385 169 169 PHE C C 176.034 0.028 1 1386 169 169 PHE CA C 58.540 0.025 1 1387 169 169 PHE CB C 40.160 0.009 1 1388 169 169 PHE H H 8.346 0.002 1 1389 169 169 PHE HA H 4.740 0.000 1 1390 169 169 PHE HB2 H 3.256 0.000 2 1391 169 169 PHE HB3 H 3.076 0.000 2 1392 169 169 PHE N N 120.389 0.005 1 1393 170 170 THR C C 174.655 0.017 1 1394 170 170 THR CA C 62.473 0.008 1 1395 170 170 THR CB C 70.824 0.010 1 1396 170 170 THR CG2 C 22.172 0.000 1 1397 170 170 THR H H 8.125 0.002 1 1398 170 170 THR HA H 4.483 0.000 1 1399 170 170 THR HB H 4.275 0.000 1 1400 170 170 THR HG2 H 1.260 0.000 1 1401 170 170 THR N N 115.603 0.004 1 1402 171 171 THR C C 174.698 0.006 1 1403 171 171 THR CA C 62.562 0.025 1 1404 171 171 THR CB C 70.668 0.018 1 1405 171 171 THR CG2 C 22.412 0.000 1 1406 171 171 THR H H 8.268 0.001 1 1407 171 171 THR HA H 4.411 0.000 1 1408 171 171 THR HG2 H 1.281 0.000 1 1409 171 171 THR N N 116.245 0.001 1 1410 172 172 LYS C C 176.483 0.008 1 1411 172 172 LYS CA C 57.313 0.022 1 1412 172 172 LYS CB C 33.811 0.004 1 1413 172 172 LYS CE C 41.997 0.000 1 1414 172 172 LYS CG C 25.513 0.000 1 1415 172 172 LYS H H 8.411 0.003 1 1416 172 172 LYS HA H 4.364 0.000 1 1417 172 172 LYS HB2 H 1.821 0.000 1 1418 172 172 LYS HG2 H 1.459 0.000 1 1419 172 172 LYS N N 123.532 0.005 1 1420 173 173 ASP C C 176.490 0.006 1 1421 173 173 ASP CA C 55.415 0.012 1 1422 173 173 ASP CB C 41.830 0.012 1 1423 173 173 ASP H H 8.418 0.002 1 1424 173 173 ASP HA H 4.654 0.000 1 1425 173 173 ASP HB2 H 2.710 0.000 1 1426 173 173 ASP N N 121.089 0.004 1 1427 174 174 GLN C C 175.747 0.004 1 1428 174 174 GLN CA C 57.035 0.006 1 1429 174 174 GLN CB C 30.267 0.003 1 1430 174 174 GLN CG C 34.520 0.000 1 1431 174 174 GLN H H 8.330 0.001 1 1432 174 174 GLN HA H 4.306 0.000 1 1433 174 174 GLN HB2 H 2.052 0.000 1 1434 174 174 GLN HG2 H 2.375 0.000 1 1435 174 174 GLN N N 120.012 0.006 1 1436 175 175 ASP C C 176.470 0.002 1 1437 175 175 ASP CA C 55.463 0.008 1 1438 175 175 ASP CB C 41.930 0.011 1 1439 175 175 ASP H H 8.428 0.003 1 1440 175 175 ASP HA H 4.681 0.000 1 1441 175 175 ASP HB2 H 2.723 0.000 1 1442 175 175 ASP N N 121.382 0.004 1 1443 176 176 LEU C C 177.776 0.030 1 1444 176 176 LEU CA C 56.070 0.004 1 1445 176 176 LEU CB C 42.446 0.004 1 1446 176 176 LEU CD1 C 25.717 0.000 1 1447 176 176 LEU CG C 27.539 0.000 1 1448 176 176 LEU H H 8.220 0.002 1 1449 176 176 LEU HA H 4.425 0.000 1 1450 176 176 LEU HB2 H 1.624 0.000 1 1451 176 176 LEU HD1 H 0.943 0.000 1 1452 176 176 LEU N N 123.030 0.003 1 1453 177 177 ARG C C 176.658 0.007 1 1454 177 177 ARG CA C 57.593 0.027 1 1455 177 177 ARG CB C 31.186 0.015 1 1456 177 177 ARG CD C 44.063 0.000 1 1457 177 177 ARG CG C 27.730 0.000 1 1458 177 177 ARG H H 8.316 0.002 1 1459 177 177 ARG HA H 4.247 0.000 1 1460 177 177 ARG HB2 H 1.759 0.000 1 1461 177 177 ARG HG2 H 1.555 0.000 1 1462 177 177 ARG N N 121.008 0.014 1 1463 178 178 TRP C C 176.580 0.001 1 1464 178 178 TRP CA C 58.020 0.009 1 1465 178 178 TRP CB C 30.141 0.007 1 1466 178 178 TRP H H 8.085 0.001 1 1467 178 178 TRP HA H 4.699 0.000 1 1468 178 178 TRP HB2 H 3.337 0.000 1 1469 178 178 TRP N N 120.882 0.003 1 1470 179 179 GLN C C 175.955 0.017 1 1471 179 179 GLN CA C 56.890 0.006 1 1472 179 179 GLN CB C 30.240 0.047 1 1473 179 179 GLN CG C 34.420 0.000 1 1474 179 179 GLN H H 8.161 0.001 1 1475 179 179 GLN HA H 4.248 0.000 1 1476 179 179 GLN HB2 H 1.916 0.000 1 1477 179 179 GLN HE21 H 6.914 0.000 1 1478 179 179 GLN HG2 H 2.188 0.000 1 1479 179 179 GLN N N 121.440 0.003 1 1480 180 180 SER C C 174.780 0.016 1 1481 180 180 SER CA C 59.248 0.056 1 1482 180 180 SER CB C 64.561 0.008 1 1483 180 180 SER H H 8.237 0.002 1 1484 180 180 SER HA H 4.400 0.000 1 1485 180 180 SER HB2 H 3.918 0.000 1 1486 180 180 SER N N 116.391 0.003 1 1487 181 181 MET C C 176.071 0.050 1 1488 181 181 MET CA C 56.428 0.022 1 1489 181 181 MET CB C 33.744 0.003 1 1490 181 181 MET CG C 32.826 0.000 1 1491 181 181 MET H H 8.358 0.002 1 1492 181 181 MET HA H 4.444 0.000 1 1493 181 181 MET HB2 H 2.076 0.000 1 1494 181 181 MET HG2 H 2.583 0.000 1 1495 181 181 MET N N 122.149 0.013 1 1496 182 182 ALA C C 177.650 0.016 1 1497 182 182 ALA CA C 53.359 0.004 1 1498 182 182 ALA CB C 19.770 0.014 1 1499 182 182 ALA H H 8.283 0.001 1 1500 182 182 ALA HA H 4.341 0.000 1 1501 182 182 ALA HB H 1.394 0.000 1 1502 182 182 ALA N N 124.933 0.002 1 1503 183 183 ILE C C 176.480 0.005 1 1504 183 183 ILE CA C 62.017 0.004 1 1505 183 183 ILE CB C 39.306 0.017 1 1506 183 183 ILE CG1 C 28.217 0.000 1 1507 183 183 ILE CG2 C 18.205 0.000 1 1508 183 183 ILE H H 8.111 0.001 1 1509 183 183 ILE HA H 4.166 0.000 1 1510 183 183 ILE HB H 1.892 0.000 1 1511 183 183 ILE HG12 H 0.950 0.000 1 1512 183 183 ILE N N 120.040 0.003 1 1513 184 184 MET C C 175.955 0.009 1 1514 184 184 MET CA C 56.109 0.011 1 1515 184 184 MET CB C 33.712 0.004 1 1516 184 184 MET CG C 32.796 0.000 1 1517 184 184 MET H H 8.430 0.001 1 1518 184 184 MET HA H 4.485 0.000 1 1519 184 184 MET HB2 H 2.064 0.000 1 1520 184 184 MET HG2 H 2.598 0.000 1 1521 184 184 MET N N 124.381 0.001 1 1522 185 185 ALA C C 177.602 0.016 1 1523 185 185 ALA CA C 53.237 0.001 1 1524 185 185 ALA CB C 19.856 0.004 1 1525 185 185 ALA H H 8.315 0.001 1 1526 185 185 ALA HA H 4.363 0.000 1 1527 185 185 ALA HB H 1.433 0.000 1 1528 185 185 ALA N N 125.167 0.002 1 1529 186 186 LEU C C 177.561 0.000 1 1530 186 186 LEU CA C 56.095 0.008 1 1531 186 186 LEU CB C 43.034 0.009 1 1532 186 186 LEU CD1 C 24.175 0.000 1 1533 186 186 LEU CG C 27.860 0.000 1 1534 186 186 LEU H H 8.230 0.001 1 1535 186 186 LEU HA H 4.342 0.000 1 1536 186 186 LEU HB2 H 1.667 0.000 1 1537 186 186 LEU HD1 H 0.915 0.000 1 1538 186 186 LEU N N 121.567 0.004 1 1539 187 187 GLN C C 176.177 0.003 1 1540 187 187 GLN CA C 56.804 0.003 1 1541 187 187 GLN CB C 30.062 0.004 1 1542 187 187 GLN CG C 34.523 0.000 1 1543 187 187 GLN H H 8.470 0.002 1 1544 187 187 GLN HA H 4.399 0.000 1 1545 187 187 GLN HB2 H 2.111 0.000 1 1546 187 187 GLN HG2 H 2.412 0.000 1 1547 187 187 GLN N N 121.293 0.001 1 1548 188 188 GLU C C 176.333 0.009 1 1549 188 188 GLU CA C 57.350 0.002 1 1550 188 188 GLU CB C 31.112 0.007 1 1551 188 188 GLU CG C 37.122 0.000 1 1552 188 188 GLU H H 8.496 0.001 1 1553 188 188 GLU HA H 4.320 0.000 1 1554 188 188 GLU HB2 H 2.015 0.000 1 1555 188 188 GLU HG2 H 2.295 0.000 1 1556 188 188 GLU N N 122.219 0.009 1 1557 189 189 ALA C C 177.793 0.002 1 1558 189 189 ALA CA C 53.330 0.005 1 1559 189 189 ALA CB C 19.867 0.011 1 1560 189 189 ALA H H 8.399 0.001 1 1561 189 189 ALA HA H 4.414 0.000 1 1562 189 189 ALA HB H 1.465 0.000 1 1563 189 189 ALA N N 125.063 0.005 1 1564 190 190 SER C C 174.931 0.005 1 1565 190 190 SER CA C 59.353 0.005 1 1566 190 190 SER CB C 64.738 0.007 1 1567 190 190 SER H H 8.328 0.001 1 1568 190 190 SER HA H 4.478 0.000 1 1569 190 190 SER HB2 H 3.961 0.000 1 1570 190 190 SER N N 115.176 0.006 1 1571 191 191 GLU C C 176.387 0.014 1 1572 191 191 GLU CA C 57.536 0.008 1 1573 191 191 GLU CB C 30.940 0.004 1 1574 191 191 GLU CG C 37.110 0.000 1 1575 191 191 GLU H H 8.494 0.003 1 1576 191 191 GLU HA H 4.319 0.000 1 1577 191 191 GLU HB2 H 1.993 0.000 1 1578 191 191 GLU HG2 H 2.333 0.000 1 1579 191 191 GLU N N 122.586 0.013 1 1580 192 192 ALA C C 177.678 0.003 1 1581 192 192 ALA CA C 53.737 0.004 1 1582 192 192 ALA CB C 19.710 0.002 1 1583 192 192 ALA H H 8.238 0.002 1 1584 192 192 ALA HA H 4.234 0.000 1 1585 192 192 ALA HB H 1.367 0.000 1 1586 192 192 ALA N N 123.864 0.012 1 1587 193 193 TYR C C 175.796 0.000 1 1588 193 193 TYR CA C 58.813 0.032 1 1589 193 193 TYR CB C 39.340 0.002 1 1590 193 193 TYR H H 8.047 0.001 1 1591 193 193 TYR HA H 4.576 0.000 1 1592 193 193 TYR HB2 H 3.056 0.000 1 1593 193 193 TYR N N 118.861 0.006 1 1594 194 194 LEU C C 177.235 0.012 1 1595 194 194 LEU CA C 55.972 0.004 1 1596 194 194 LEU CB C 43.077 0.002 1 1597 194 194 LEU CD1 C 24.126 0.000 1 1598 194 194 LEU CG C 27.389 0.000 1 1599 194 194 LEU H H 8.108 0.002 1 1600 194 194 LEU HA H 4.355 0.000 1 1601 194 194 LEU HB2 H 1.629 0.000 1 1602 194 194 LEU HD1 H 0.900 0.000 1 1603 194 194 LEU N N 123.486 0.017 1 1604 195 195 VAL C C 176.796 0.015 1 1605 195 195 VAL CA C 63.562 0.012 1 1606 195 195 VAL CB C 33.322 0.004 1 1607 195 195 VAL CG1 C 21.646 0.000 1 1608 195 195 VAL H H 8.077 0.001 1 1609 195 195 VAL HA H 4.072 0.000 1 1610 195 195 VAL HB H 2.109 0.000 1 1611 195 195 VAL HG1 H 0.994 0.000 1 1612 195 195 VAL N N 120.369 0.006 1 1613 196 196 GLY C C 174.105 0.007 1 1614 196 196 GLY CA C 46.059 0.006 1 1615 196 196 GLY H H 8.378 0.002 1 1616 196 196 GLY HA2 H 3.987 0.000 1 1617 196 196 GLY N N 111.627 0.005 1 1618 197 197 LEU C C 177.523 0.000 1 1619 197 197 LEU CA C 56.161 0.018 1 1620 197 197 LEU CB C 43.198 0.006 1 1621 197 197 LEU CD1 C 24.282 0.000 1 1622 197 197 LEU CG C 27.957 0.000 1 1623 197 197 LEU H H 8.037 0.003 1 1624 197 197 LEU HA H 4.367 0.000 1 1625 197 197 LEU HB2 H 1.623 0.000 1 1626 197 197 LEU HD1 H 0.915 0.000 1 1627 197 197 LEU N N 121.575 0.007 1 1628 198 198 LEU C C 177.390 0.000 1 1629 198 198 LEU CA C 55.938 0.000 1 1630 198 198 LEU CB C 43.062 0.000 1 1631 198 198 LEU H H 8.323 0.004 1 1632 198 198 LEU HA H 4.371 0.000 1 1633 198 198 LEU HB2 H 1.657 0.000 1 1634 198 198 LEU HD1 H 0.948 0.000 1 1635 198 198 LEU N N 122.700 0.001 1 1636 199 199 GLU C C 175.950 0.000 1 1637 199 199 GLU CA C 56.682 0.000 1 1638 199 199 GLU CB C 30.084 0.000 1 1639 199 199 GLU CG C 37.088 0.000 1 1640 199 199 GLU H H 8.386 0.001 1 1641 199 199 GLU N N 121.248 0.006 1 1642 200 200 HIS CA C 56.961 0.000 1 1643 200 200 HIS CB C 29.997 0.000 1 1644 200 200 HIS H H 8.438 0.003 1 1645 200 200 HIS N N 119.970 0.002 1 1646 201 201 THR C C 174.175 0.000 1 1647 201 201 THR CA C 62.854 0.063 1 1648 201 201 THR CB C 70.584 0.001 1 1649 201 201 THR CG2 C 22.181 0.000 1 1650 201 201 THR H H 8.174 0.002 1 1651 201 201 THR N N 115.083 0.002 1 1652 202 202 ASN C C 175.362 0.062 1 1653 202 202 ASN CA C 53.852 0.187 1 1654 202 202 ASN CB C 39.396 0.019 1 1655 202 202 ASN H H 8.641 0.002 1 1656 202 202 ASN HA H 4.707 0.000 1 1657 202 202 ASN HB2 H 2.869 0.000 1 1658 202 202 ASN N N 121.397 0.002 1 1659 203 203 LEU C C 177.442 0.017 1 1660 203 203 LEU CA C 56.336 0.122 1 1661 203 203 LEU CB C 43.055 0.069 1 1662 203 203 LEU CD1 C 25.647 0.000 2 1663 203 203 LEU CD2 C 24.190 0.000 2 1664 203 203 LEU CG C 27.572 0.000 1 1665 203 203 LEU H H 8.282 0.011 1 1666 203 203 LEU HA H 4.308 0.000 1 1667 203 203 LEU HB2 H 1.654 0.000 1 1668 203 203 LEU HD1 H 0.947 0.000 1 1669 203 203 LEU N N 122.875 0.055 1 1670 204 204 LEU C C 177.281 0.042 1 1671 204 204 LEU CA C 56.113 0.010 1 1672 204 204 LEU CB C 42.988 0.011 1 1673 204 204 LEU CD1 C 25.535 0.000 2 1674 204 204 LEU CD2 C 24.135 0.000 2 1675 204 204 LEU CG C 27.605 0.000 1 1676 204 204 LEU H H 8.221 0.003 1 1677 204 204 LEU HA H 4.321 0.000 1 1678 204 204 LEU HB2 H 1.662 0.000 1 1679 204 204 LEU HD1 H 0.990 0.000 1 1680 204 204 LEU N N 122.036 0.002 1 1681 205 205 ALA C C 177.671 0.001 1 1682 205 205 ALA CA C 53.163 0.002 1 1683 205 205 ALA CB C 19.703 0.013 1 1684 205 205 ALA H H 8.141 0.001 1 1685 205 205 ALA HA H 4.318 0.000 1 1686 205 205 ALA HB H 1.390 0.000 1 1687 205 205 ALA N N 124.197 0.003 1 1688 206 206 LEU C C 177.468 0.001 1 1689 206 206 LEU CA C 56.233 0.000 1 1690 206 206 LEU CB C 43.094 0.011 1 1691 206 206 LEU CD1 C 25.386 0.000 2 1692 206 206 LEU CD2 C 24.300 0.000 2 1693 206 206 LEU CG C 27.521 0.000 1 1694 206 206 LEU H H 8.093 0.001 1 1695 206 206 LEU HA H 4.266 0.000 1 1696 206 206 LEU HB2 H 1.563 0.000 1 1697 206 206 LEU HD1 H 0.894 0.000 1 1698 206 206 LEU N N 121.071 0.003 1 1699 207 207 HIS CA C 56.507 0.000 1 1700 207 207 HIS CB C 31.255 0.000 1 1701 207 207 HIS H H 8.271 0.002 1 1702 207 207 HIS HA H 4.693 0.000 1 1703 207 207 HIS HB2 H 3.174 0.000 1 1704 207 207 HIS N N 119.133 0.003 1 1705 208 208 ALA C C 177.504 0.000 1 1706 208 208 ALA CA C 53.176 0.007 1 1707 208 208 ALA CB C 19.989 0.000 1 1708 208 208 ALA H H 8.181 0.002 1 1709 208 208 ALA HA H 4.348 0.000 1 1710 208 208 ALA HB H 1.428 0.000 1 1711 208 208 ALA N N 124.728 0.006 1 1712 209 209 LYS C C 176.498 0.000 1 1713 209 209 LYS CA C 56.733 0.000 1 1714 209 209 LYS CB C 33.725 0.000 1 1715 209 209 LYS H H 8.397 0.004 1 1716 209 209 LYS HA H 4.346 0.000 1 1717 209 209 LYS HB2 H 1.782 0.000 1 1718 209 209 LYS HG2 H 1.526 0.000 1 1719 209 209 LYS N N 121.064 0.002 1 1720 210 210 ARG C C 176.188 0.000 1 1721 210 210 ARG CA C 56.789 0.000 1 1722 210 210 ARG CB C 31.608 0.008 1 1723 210 210 ARG CD C 44.224 0.000 1 1724 210 210 ARG CG C 27.890 0.000 1 1725 211 211 ILE C C 176.211 0.001 1 1726 211 211 ILE CA C 61.755 0.032 1 1727 211 211 ILE CB C 39.620 0.098 1 1728 211 211 ILE CG1 C 28.004 0.000 1 1729 211 211 ILE CG2 C 18.185 0.000 1 1730 211 211 ILE H H 8.421 0.007 1 1731 211 211 ILE HA H 4.153 0.000 1 1732 211 211 ILE HB H 1.855 0.000 1 1733 211 211 ILE HG12 H 0.965 0.000 1 1734 211 211 ILE N N 123.174 0.005 1 1735 212 212 THR C C 174.134 0.002 1 1736 212 212 THR CA C 62.374 0.016 1 1737 212 212 THR CB C 70.665 0.014 1 1738 212 212 THR CG2 C 22.311 0.000 1 1739 212 212 THR H H 8.427 0.002 1 1740 212 212 THR HA H 4.438 0.000 1 1741 212 212 THR HB H 4.165 0.000 1 1742 212 212 THR HG2 H 1.224 0.000 1 1743 212 212 THR N N 120.051 0.006 1 1744 213 213 ILE C C 175.953 0.000 1 1745 213 213 ILE CA C 61.596 0.010 1 1746 213 213 ILE CB C 39.457 0.031 1 1747 213 213 ILE CG1 C 28.034 0.000 1 1748 213 213 ILE CG2 C 18.177 0.000 1 1749 213 213 ILE H H 8.350 0.004 1 1750 213 213 ILE HA H 4.227 0.000 1 1751 213 213 ILE HB H 1.888 0.000 1 1752 213 213 ILE HG12 H 0.931 0.000 1 1753 213 213 ILE N N 124.568 0.003 1 1754 214 214 MET C C 176.052 0.005 1 1755 214 214 MET CA C 56.258 0.001 1 1756 214 214 MET CB C 33.772 0.005 1 1757 214 214 MET CG C 32.817 0.000 1 1758 214 214 MET H H 8.598 0.002 1 1759 214 214 MET HA H 4.446 0.000 1 1760 214 214 MET HB2 H 2.043 0.000 1 1761 214 214 MET HG2 H 2.585 0.000 1 1762 214 214 MET N N 125.658 0.003 1 1763 215 215 LYS C C 176.604 0.000 1 1764 215 215 LYS CA C 57.304 0.000 1 1765 215 215 LYS CB C 33.887 0.000 1 1766 215 215 LYS H H 8.524 0.001 1 1767 215 215 LYS HA H 4.352 0.000 1 1768 215 215 LYS HB2 H 1.811 0.000 1 1769 215 215 LYS HG2 H 1.483 0.000 1 1770 215 215 LYS N N 124.057 0.005 1 1771 216 216 LYS CA C 57.436 0.008 1 1772 216 216 LYS CB C 34.043 0.005 1 1773 216 216 LYS CG C 25.640 0.000 1 1774 217 217 ASP C C 176.469 0.003 1 1775 217 217 ASP CA C 55.059 0.010 1 1776 217 217 ASP CB C 41.934 0.009 1 1777 217 217 ASP H H 8.495 0.002 1 1778 217 217 ASP HA H 4.680 0.000 1 1779 217 217 ASP HB2 H 2.736 0.000 1 1780 217 217 ASP N N 121.695 0.002 1 1781 218 218 MET C C 176.428 0.005 1 1782 218 218 MET CA C 56.422 0.029 1 1783 218 218 MET CB C 33.584 0.073 1 1784 218 218 MET CG C 32.843 0.000 1 1785 218 218 MET H H 8.411 0.001 1 1786 218 218 MET HA H 4.490 0.000 1 1787 218 218 MET HB2 H 2.058 0.000 1 1788 218 218 MET HG2 H 2.597 0.000 1 1789 218 218 MET N N 121.334 0.028 1 1790 219 219 GLN C C 176.192 0.002 1 1791 219 219 GLN CA C 56.803 0.020 1 1792 219 219 GLN CB C 29.909 0.016 1 1793 219 219 GLN CG C 34.623 0.000 1 1794 219 219 GLN H H 8.521 0.001 1 1795 219 219 GLN HA H 4.350 0.000 1 1796 219 219 GLN HB2 H 2.097 0.000 1 1797 219 219 GLN HG2 H 2.406 0.000 1 1798 219 219 GLN N N 121.248 0.004 1 1799 220 220 LEU C C 177.167 0.012 1 1800 220 220 LEU CA C 55.979 0.002 1 1801 220 220 LEU CB C 43.076 0.028 1 1802 220 220 LEU CD1 C 25.597 0.000 2 1803 220 220 LEU CD2 C 23.986 0.000 2 1804 220 220 LEU CG C 27.629 0.000 1 1805 220 220 LEU H H 8.247 0.002 1 1806 220 220 LEU HA H 4.315 0.000 1 1807 220 220 LEU HB2 H 1.654 0.000 1 1808 220 220 LEU N N 123.301 0.006 1 1809 221 221 ALA C C 177.656 0.006 1 1810 221 221 ALA CA C 53.254 0.002 1 1811 221 221 ALA CB C 19.884 0.012 1 1812 221 221 ALA H H 8.317 0.002 1 1813 221 221 ALA HA H 4.377 0.000 1 1814 221 221 ALA HB H 1.457 0.000 1 1815 221 221 ALA N N 124.635 0.003 1 1816 222 222 ARG C C 176.338 0.003 1 1817 222 222 ARG CA C 57.044 0.000 1 1818 222 222 ARG CB C 31.443 0.010 1 1819 222 222 ARG CD C 44.167 0.000 1 1820 222 222 ARG CG C 27.927 0.000 1 1821 222 222 ARG H H 8.323 0.001 1 1822 222 222 ARG HA H 4.336 0.000 1 1823 222 222 ARG HB2 H 1.772 0.000 1 1824 222 222 ARG N N 120.588 0.041 1 1825 223 223 ARG C C 176.206 0.005 1 1826 223 223 ARG CA C 56.936 0.005 1 1827 223 223 ARG CB C 31.512 0.003 1 1828 223 223 ARG CD C 44.111 0.000 1 1829 223 223 ARG CG C 27.962 0.000 1 1830 223 223 ARG H H 8.557 0.001 1 1831 223 223 ARG HA H 4.342 0.000 1 1832 223 223 ARG HB2 H 1.755 0.000 1 1833 223 223 ARG N N 123.245 0.002 1 1834 224 224 ILE C C 176.189 0.027 1 1835 224 224 ILE CA C 61.817 0.081 1 1836 224 224 ILE CB C 39.586 0.011 1 1837 224 224 ILE CG1 C 28.026 0.000 1 1838 224 224 ILE CG2 C 18.190 0.000 1 1839 224 224 ILE H H 8.377 0.002 1 1840 224 224 ILE HA H 4.224 0.000 1 1841 224 224 ILE HB H 1.661 0.000 1 1842 224 224 ILE HG12 H 0.945 0.000 1 1843 224 224 ILE N N 122.999 0.004 1 1844 225 225 ARG C C 176.602 0.001 1 1845 225 225 ARG CA C 57.194 0.011 1 1846 225 225 ARG CB C 31.538 0.004 1 1847 225 225 ARG CD C 44.204 0.000 1 1848 225 225 ARG CG C 28.034 0.000 1 1849 225 225 ARG H H 8.566 0.001 1 1850 225 225 ARG HA H 4.380 0.000 1 1851 225 225 ARG HB2 H 1.874 0.000 1 1852 225 225 ARG HD2 H 3.244 0.000 1 1853 225 225 ARG HG2 H 1.711 0.000 1 1854 225 225 ARG N N 125.643 0.020 1 1855 226 226 GLY C C 173.557 0.017 1 1856 226 226 GLY CA C 45.904 0.025 1 1857 226 226 GLY H H 8.461 0.002 1 1858 226 226 GLY HA2 H 3.976 0.000 1 1859 226 226 GLY N N 110.334 0.007 1 1860 227 227 GLN C C 175.520 0.006 1 1861 227 227 GLN CA C 56.616 0.024 1 1862 227 227 GLN CB C 30.410 0.015 1 1863 227 227 GLN CG C 34.442 0.000 1 1864 227 227 GLN H H 8.210 0.003 1 1865 227 227 GLN HA H 4.319 0.000 1 1866 227 227 GLN HB2 H 1.931 0.000 1 1867 227 227 GLN HG2 H 2.219 0.000 1 1868 227 227 GLN N N 119.774 0.003 1 1869 228 228 PHE C C 174.790 0.004 1 1870 228 228 PHE CA C 58.385 0.014 1 1871 228 228 PHE CB C 40.237 0.035 1 1872 228 228 PHE H H 8.394 0.002 1 1873 228 228 PHE HA H 4.727 0.000 1 1874 228 228 PHE HB2 H 3.229 0.000 2 1875 228 228 PHE HB3 H 3.016 0.000 2 1876 228 228 PHE N N 121.665 0.021 1 1877 229 229 ILE C C 180.829 0.000 1 1878 229 229 ILE CA C 63.730 0.000 1 1879 229 229 ILE CB C 40.428 0.000 1 1880 229 229 ILE H H 7.840 0.002 1 1881 229 229 ILE HA H 4.106 0.000 1 1882 229 229 ILE HB H 1.850 0.000 1 1883 229 229 ILE HG12 H 0.918 0.000 1 1884 229 229 ILE N N 126.390 0.009 1 stop_ save_