data_15091 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Lipid Free Mouse Apolipoprotein-AI(mAI216)NMR Backbone Assignment ; _BMRB_accession_number 15091 _BMRB_flat_file_name bmr15091.str _Entry_type original _Submission_date 2007-01-02 _Accession_date 2007-01-02 _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 Yang Yunhuang . . 2 Wang Jianjun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 885 "13C chemical shifts" 641 "15N chemical shifts" 194 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'correct entry citation' 2009-05-20 update BMRB 'complete entry citation' 2007-08-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A complete NMR spectral assignment of the lipid-free mouse apolipoprotein A-I (apoAI) C-terminal truncation mutant, apoAI(1-216)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636841 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Yunhuang . . 2 Hoyt David . . 3 Wang Jianjun . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 109 _Page_last 111 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name mApoAI216 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label mApoAI216 $apoprotein_AI stop_ _System_molecular_weight 25228 _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apoprotein_AI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common apoprotein_AI _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'cholesterol inverse transfermation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 240 _Mol_residue_sequence ; DEPQSQWDKVKDFANVYVDA VKDSGRDYVSQFESSSLGQQ LNLNLLENWDTLGSTVSQLQ ERLGPLTRDFWDNLEKETDW VRQEMNKDLEEVKQKVQPYL DEFQKKWKEDVELYRQKASP QGAELQESARQKLQELQGRL SPVAEEFRDRMRTHVDSLRT QLAPHSEQMRESLAQRLAEL KSNPTLNEYHSSAKSHLKSL GEKARPALEDLRHSLMPQLE SLKTKAQSEIDKASENLNAQ ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 GLU 3 PRO 4 GLN 5 SER 6 GLN 7 TRP 8 ASP 9 LYS 10 VAL 11 LYS 12 ASP 13 PHE 14 ALA 15 ASN 16 VAL 17 TYR 18 VAL 19 ASP 20 ALA 21 VAL 22 LYS 23 ASP 24 SER 25 GLY 26 ARG 27 ASP 28 TYR 29 VAL 30 SER 31 GLN 32 PHE 33 GLU 34 SER 35 SER 36 SER 37 LEU 38 GLY 39 GLN 40 GLN 41 LEU 42 ASN 43 LEU 44 ASN 45 LEU 46 LEU 47 GLU 48 ASN 49 TRP 50 ASP 51 THR 52 LEU 53 GLY 54 SER 55 THR 56 VAL 57 SER 58 GLN 59 LEU 60 GLN 61 GLU 62 ARG 63 LEU 64 GLY 65 PRO 66 LEU 67 THR 68 ARG 69 ASP 70 PHE 71 TRP 72 ASP 73 ASN 74 LEU 75 GLU 76 LYS 77 GLU 78 THR 79 ASP 80 TRP 81 VAL 82 ARG 83 GLN 84 GLU 85 MET 86 ASN 87 LYS 88 ASP 89 LEU 90 GLU 91 GLU 92 VAL 93 LYS 94 GLN 95 LYS 96 VAL 97 GLN 98 PRO 99 TYR 100 LEU 101 ASP 102 GLU 103 PHE 104 GLN 105 LYS 106 LYS 107 TRP 108 LYS 109 GLU 110 ASP 111 VAL 112 GLU 113 LEU 114 TYR 115 ARG 116 GLN 117 LYS 118 ALA 119 SER 120 PRO 121 GLN 122 GLY 123 ALA 124 GLU 125 LEU 126 GLN 127 GLU 128 SER 129 ALA 130 ARG 131 GLN 132 LYS 133 LEU 134 GLN 135 GLU 136 LEU 137 GLN 138 GLY 139 ARG 140 LEU 141 SER 142 PRO 143 VAL 144 ALA 145 GLU 146 GLU 147 PHE 148 ARG 149 ASP 150 ARG 151 MET 152 ARG 153 THR 154 HIS 155 VAL 156 ASP 157 SER 158 LEU 159 ARG 160 THR 161 GLN 162 LEU 163 ALA 164 PRO 165 HIS 166 SER 167 GLU 168 GLN 169 MET 170 ARG 171 GLU 172 SER 173 LEU 174 ALA 175 GLN 176 ARG 177 LEU 178 ALA 179 GLU 180 LEU 181 LYS 182 SER 183 ASN 184 PRO 185 THR 186 LEU 187 ASN 188 GLU 189 TYR 190 HIS 191 SER 192 SER 193 ALA 194 LYS 195 SER 196 HIS 197 LEU 198 LYS 199 SER 200 LEU 201 GLY 202 GLU 203 LYS 204 ALA 205 ARG 206 PRO 207 ALA 208 LEU 209 GLU 210 ASP 211 LEU 212 ARG 213 HIS 214 SER 215 LEU 216 MET 217 PRO 218 GLN 219 LEU 220 GLU 221 SER 222 LEU 223 LYS 224 THR 225 LYS 226 ALA 227 GLN 228 SER 229 GLU 230 ILE 231 ASP 232 LYS 233 ALA 234 SER 235 GLU 236 ASN 237 LEU 238 ASN 239 ALA 240 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17717 entity 90.00 216 100.00 100.00 4.86e-154 PDB 2LEM "Monomeric Mouse Apoai(1-216)" 90.00 216 100.00 100.00 4.86e-154 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apoprotein_AI 'E. coli' 562 Bacteria . Escherichia coli 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 $apoprotein_AI 'recombinant technology' . Escherichia coli . pET-30a(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_triple_labeled_mAI216 _Saveframe_category sample _Sample_type solution _Details 'triple labeled mouse apoprotein AI(1-216)' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apoprotein_AI 1.5 mM '[U-13C; U-15N; U-2H]' D2O 5 % '[U-99% 2H]' DSS 0.1 mM 'natural abundance' H2O 95 % 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' EDTA 10 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $triple_labeled_mAI216 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $triple_labeled_mAI216 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $triple_labeled_mAI216 save_ save_3D_HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $triple_labeled_mAI216 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $triple_labeled_mAI216 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $triple_labeled_mAI216 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.08 0.005 M pH 6.8 0.1 pH pressure 1 . atm temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details ; H1:DSS(0.0ppm) C13: 13C-acetate(25.85ppm) N15: 15N-urea(78.98ppm) ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label acetate C 13 'methyl carbon' ppm 25.85 external indirect . . . 1 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1 $entry_citation $entry_citation urea N 15 nitrogen ppm 78.98 external indirect . . . 1 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CB' '3D HN(COCA)CB' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $triple_labeled_mAI216 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name mApoAI216 _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 ASP CA C 53.013 0.1 1 2 1 1 ASP CB C 40.642 0.1 1 3 2 2 GLU H H 8.276 0.005 1 4 2 2 GLU HA H 4.488 0.005 1 5 2 2 GLU HB2 H 2.117 0.005 1 6 2 2 GLU HB3 H 2.117 0.005 1 7 2 2 GLU HG2 H 2.289 0.005 1 8 2 2 GLU HG3 H 2.289 0.005 1 9 2 2 GLU CA C 56.418 0.1 1 10 2 2 GLU CB C 29.014 0.1 1 11 2 2 GLU CG C 35.331 0.1 1 12 2 2 GLU N N 121.678 0.1 1 13 3 3 PRO CA C 62.677 0.1 1 14 3 3 PRO CB C 31.095 0.1 1 15 3 3 PRO CG C 26.783 0.1 1 16 3 3 PRO CD C 50.117 0.1 1 17 4 4 GLN H H 8.502 0.005 1 18 4 4 GLN HA H 4.349 0.005 1 19 4 4 GLN HB2 H 1.992 0.005 2 20 4 4 GLN HB3 H 1.982 0.005 2 21 4 4 GLN HG2 H 2.418 0.005 1 22 4 4 GLN HG3 H 2.418 0.005 1 23 4 4 GLN CA C 55.501 0.1 1 24 4 4 GLN CB C 28.621 0.1 1 25 4 4 GLN CG C 32.988 0.1 1 26 4 4 GLN N N 121.147 0.1 1 27 5 5 SER H H 8.367 0.005 1 28 5 5 SER CA C 58.074 0.1 1 29 5 5 SER CB C 63.514 0.1 1 30 5 5 SER N N 117.429 0.1 1 31 6 6 GLN H H 8.624 0.005 1 32 6 6 GLN CA C 56.326 0.1 1 33 6 6 GLN CB C 27.775 0.1 1 34 6 6 GLN N N 123.803 0.1 1 35 7 7 TRP H H 7.964 0.005 1 36 7 7 TRP CA C 59.813 0.1 1 37 7 7 TRP CB C 28.867 0.1 1 38 7 7 TRP N N 119.022 0.1 1 39 8 8 ASP H H 8.443 0.005 1 40 8 8 ASP HA H 4.409 0.005 1 41 8 8 ASP HB2 H 2.718 0.005 2 42 8 8 ASP HB3 H 2.761 0.005 2 43 8 8 ASP CA C 54.904 0.1 1 44 8 8 ASP CB C 38.554 0.1 1 45 8 8 ASP N N 121.678 0.1 1 46 9 9 LYS H H 7.826 0.005 1 47 9 9 LYS HA H 4.122 0.005 1 48 9 9 LYS HB2 H 2.246 0.005 2 49 9 9 LYS HB3 H 2.418 0.005 2 50 9 9 LYS HG2 H 1.343 0.005 2 51 9 9 LYS HG3 H 1.472 0.005 2 52 9 9 LYS HD2 H 2.074 0.005 2 53 9 9 LYS HD3 H 2.160 0.005 2 54 9 9 LYS HE2 H 2.976 0.005 2 55 9 9 LYS HE3 H 3.002 0.005 2 56 9 9 LYS CA C 58.277 0.1 1 57 9 9 LYS CB C 31.444 0.1 1 58 9 9 LYS CG C 23.612 0.1 1 59 9 9 LYS CD C 28.066 0.1 1 60 9 9 LYS CE C 41.032 0.1 1 61 9 9 LYS N N 120.616 0.1 1 62 10 10 VAL H H 7.155 0.005 1 63 10 10 VAL HA H 3.830 0.005 1 64 10 10 VAL HB H 1.979 0.005 1 65 10 10 VAL HG1 H 1.148 0.005 2 66 10 10 VAL HG2 H 1.117 0.005 2 67 10 10 VAL CA C 65.628 0.1 1 68 10 10 VAL CB C 31.327 0.1 1 69 10 10 VAL CG1 C 21.991 0.1 2 70 10 10 VAL CG2 C 22.175 0.1 2 71 10 10 VAL N N 118.491 0.1 1 72 11 11 LYS H H 8.661 0.005 1 73 11 11 LYS HA H 3.879 0.005 1 74 11 11 LYS HB2 H 1.988 0.005 2 75 11 11 LYS HB3 H 2.031 0.005 2 76 11 11 LYS HG2 H 1.558 0.005 2 77 11 11 LYS HG3 H 1.515 0.005 2 78 11 11 LYS HD2 H 1.816 0.005 1 79 11 11 LYS HD3 H 1.816 0.005 1 80 11 11 LYS CA C 59.464 0.1 1 81 11 11 LYS CB C 31.526 0.1 1 82 11 11 LYS CG C 24.081 0.1 1 83 11 11 LYS CD C 28.066 0.1 1 84 11 11 LYS CE C 41.607 0.1 1 85 11 11 LYS N N 122.210 0.1 1 86 12 12 ASP H H 7.791 0.005 1 87 12 12 ASP HA H 4.480 0.005 1 88 12 12 ASP HB2 H 2.675 0.005 2 89 12 12 ASP HB3 H 2.718 0.005 2 90 12 12 ASP CA C 57.381 0.1 1 91 12 12 ASP CB C 40.051 0.1 1 92 12 12 ASP N N 119.553 0.1 1 93 13 13 PHE H H 7.681 0.005 1 94 13 13 PHE HA H 4.755 0.005 1 95 13 13 PHE HB2 H 3.014 0.005 2 96 13 13 PHE HB3 H 2.999 0.005 2 97 13 13 PHE CA C 58.662 0.1 1 98 13 13 PHE CB C 38.741 0.1 1 99 13 13 PHE N N 116.366 0.1 1 100 14 14 ALA H H 8.761 0.005 1 101 14 14 ALA HA H 4.008 0.005 1 102 14 14 ALA HB H 1.558 0.005 1 103 14 14 ALA CA C 54.848 0.1 1 104 14 14 ALA CB C 17.221 0.1 1 105 14 14 ALA N N 122.209 0.1 1 106 15 15 ASN H H 8.934 0.005 1 107 15 15 ASN HA H 4.480 0.005 1 108 15 15 ASN HB2 H 3.105 0.005 2 109 15 15 ASN HB3 H 3.062 0.005 2 110 15 15 ASN CA C 56.084 0.1 1 111 15 15 ASN CB C 38.555 0.1 1 112 15 15 ASN N N 119.553 0.1 1 113 16 16 VAL H H 7.872 0.005 1 114 16 16 VAL HA H 3.578 0.005 1 115 16 16 VAL HB H 1.515 0.005 1 116 16 16 VAL HG1 H 0.828 0.005 2 117 16 16 VAL HG2 H 0.183 0.005 2 118 16 16 VAL CA C 63.599 0.1 1 119 16 16 VAL CB C 31.765 0.1 1 120 16 16 VAL CG1 C 20.800 0.1 2 121 16 16 VAL CG2 C 19.394 0.1 2 122 16 16 VAL N N 116.897 0.1 1 123 17 17 TYR H H 7.979 0.005 1 124 17 17 TYR HA H 4.738 0.005 1 125 17 17 TYR HB2 H 3.062 0.005 1 126 17 17 TYR HB3 H 3.062 0.005 1 127 17 17 TYR CA C 58.985 0.1 1 128 17 17 TYR CB C 39.000 0.1 1 129 17 17 TYR N N 111.770 0.1 1 130 18 18 VAL H H 7.599 0.005 1 131 18 18 VAL HA H 4.240 0.005 1 132 18 18 VAL HB H 2.576 0.005 1 133 18 18 VAL HG1 H 0.833 0.005 2 134 18 18 VAL HG2 H 1.130 0.005 2 135 18 18 VAL CA C 63.374 0.1 1 136 18 18 VAL CB C 31.207 0.1 1 137 18 18 VAL CG1 C 20.582 0.1 2 138 18 18 VAL CG2 C 20.952 0.1 2 139 18 18 VAL N N 114.241 0.1 1 140 19 19 ASP H H 8.888 0.005 1 141 19 19 ASP HA H 4.523 0.005 1 142 19 19 ASP HB2 H 2.675 0.005 1 143 19 19 ASP HB3 H 2.675 0.005 1 144 19 19 ASP CA C 56.445 0.1 1 145 19 19 ASP CB C 38.575 0.1 1 146 19 19 ASP N N 123.272 0.1 1 147 20 20 ALA H H 6.625 0.005 1 148 20 20 ALA HA H 4.230 0.005 1 149 20 20 ALA HB H 1.446 0.005 1 150 20 20 ALA CA C 54.360 0.1 1 151 20 20 ALA CB C 18.746 0.1 1 152 20 20 ALA N N 118.491 0.1 1 153 21 21 VAL H H 7.415 0.005 1 154 21 21 VAL HA H 3.679 0.005 1 155 21 21 VAL HB H 2.222 0.005 1 156 21 21 VAL HG1 H 1.031 0.005 2 157 21 21 VAL HG2 H 1.043 0.005 2 158 21 21 VAL CA C 64.208 0.1 1 159 21 21 VAL CB C 29.920 0.1 1 160 21 21 VAL CG1 C 21.232 0.1 1 161 21 21 VAL CG2 C 21.269 0.1 2 162 21 21 VAL N N 116.897 0.1 1 163 22 22 LYS H H 8.203 0.005 1 164 22 22 LYS HA H 4.222 0.005 1 165 22 22 LYS HB2 H 2.117 0.005 1 166 22 22 LYS HB3 H 2.117 0.005 1 167 22 22 LYS HG2 H 0.914 0.005 1 168 22 22 LYS HG3 H 0.914 0.005 1 169 22 22 LYS HD2 H 1.644 0.005 1 170 22 22 LYS HD3 H 1.644 0.005 1 171 22 22 LYS HE2 H 2.632 0.005 1 172 22 22 LYS HE3 H 2.632 0.005 1 173 22 22 LYS CA C 59.506 0.1 1 174 22 22 LYS CB C 31.402 0.1 1 175 22 22 LYS CG C 24.081 0.1 1 176 22 22 LYS CD C 27.362 0.1 1 177 22 22 LYS CE C 40.019 0.1 1 178 22 22 LYS N N 121.147 0.1 1 179 23 23 ASP H H 8.863 0.005 1 180 23 23 ASP HA H 4.606 0.005 1 181 23 23 ASP HB2 H 2.701 0.005 2 182 23 23 ASP HB3 H 2.718 0.005 2 183 23 23 ASP CA C 56.560 0.1 1 184 23 23 ASP CB C 39.556 0.1 1 185 23 23 ASP N N 121.678 0.1 1 186 24 24 SER H H 7.938 0.005 1 187 24 24 SER HA H 4.496 0.005 1 188 24 24 SER HB2 H 4.093 0.005 1 189 24 24 SER HB3 H 4.093 0.005 1 190 24 24 SER CA C 59.737 0.1 1 191 24 24 SER CB C 63.168 0.1 1 192 24 24 SER N N 118.140 0.1 1 193 25 25 GLY H H 7.560 0.005 1 194 25 25 GLY HA2 H 3.965 0.005 1 195 25 25 GLY HA3 H 3.965 0.005 1 196 25 25 GLY CA C 45.148 0.1 1 197 25 25 GLY N N 108.140 0.1 1 198 26 26 ARG H H 8.202 0.005 1 199 26 26 ARG HA H 4.597 0.005 1 200 26 26 ARG HB2 H 2.160 0.005 1 201 26 26 ARG HB3 H 2.160 0.005 1 202 26 26 ARG HG2 H 1.644 0.005 1 203 26 26 ARG HG3 H 1.644 0.005 1 204 26 26 ARG HD2 H 2.632 0.005 2 205 26 26 ARG HD3 H 2.675 0.005 2 206 26 26 ARG CA C 57.038 0.1 1 207 26 26 ARG CB C 30.459 0.1 1 208 26 26 ARG CG C 25.956 0.1 1 209 26 26 ARG CD C 40.019 0.1 1 210 26 26 ARG N N 121.300 0.1 1 211 27 27 ASP H H 7.886 0.005 1 212 27 27 ASP HA H 4.211 0.005 1 213 27 27 ASP HB2 H 2.963 0.005 2 214 27 27 ASP HB3 H 2.933 0.005 2 215 27 27 ASP CA C 57.837 0.1 1 216 27 27 ASP CB C 38.060 0.1 1 217 27 27 ASP N N 121.678 0.1 1 218 28 28 TYR H H 7.919 0.005 1 219 28 28 TYR HA H 4.008 0.005 1 220 28 28 TYR HB2 H 3.105 0.005 2 221 28 28 TYR HB3 H 3.115 0.005 2 222 28 28 TYR CA C 61.876 0.1 1 223 28 28 TYR CB C 38.348 0.1 1 224 28 28 TYR N N 122.210 0.1 1 225 29 29 VAL H H 8.250 0.005 1 226 29 29 VAL HA H 3.707 0.005 1 227 29 29 VAL HB H 1.902 0.005 1 228 29 29 VAL HG1 H 0.398 0.005 2 229 29 29 VAL HG2 H 0.785 0.005 2 230 29 29 VAL CA C 66.115 0.1 1 231 29 29 VAL CB C 29.881 0.1 1 232 29 29 VAL CG1 C 21.269 0.1 2 233 29 29 VAL CG2 C 22.206 0.1 2 234 29 29 VAL N N 123.272 0.1 1 235 30 30 SER H H 8.930 0.005 1 236 30 30 SER HA H 4.230 0.005 1 237 30 30 SER HB2 H 4.002 0.005 2 238 30 30 SER HB3 H 3.979 0.005 2 239 30 30 SER CA C 61.371 0.1 1 240 30 30 SER CB C 62.487 0.1 1 241 30 30 SER N N 117.429 0.1 1 242 31 31 GLN H H 7.740 0.005 1 243 31 31 GLN HA H 4.050 0.005 1 244 31 31 GLN HB2 H 2.289 0.005 1 245 31 31 GLN HB3 H 2.289 0.005 1 246 31 31 GLN HG2 H 2.504 0.005 1 247 31 31 GLN HG3 H 2.504 0.005 1 248 31 31 GLN CA C 58.239 0.1 1 249 31 31 GLN CB C 27.449 0.1 1 250 31 31 GLN CG C 32.988 0.1 1 251 31 31 GLN N N 121.147 0.1 1 252 32 32 PHE H H 7.193 0.005 1 253 32 32 PHE HA H 3.477 0.005 1 254 32 32 PHE HB2 H 2.630 0.005 1 255 32 32 PHE HB3 H 2.630 0.005 1 256 32 32 PHE CA C 60.574 0.1 1 257 32 32 PHE CB C 37.072 0.1 1 258 32 32 PHE N N 117.429 0.1 1 259 33 33 GLU H H 8.153 0.005 1 260 33 33 GLU HA H 4.265 0.005 1 261 33 33 GLU HB2 H 2.117 0.005 1 262 33 33 GLU HB3 H 2.117 0.005 1 263 33 33 GLU HG2 H 2.289 0.005 1 264 33 33 GLU HG3 H 2.289 0.005 1 265 33 33 GLU CA C 59.456 0.1 1 266 33 33 GLU CB C 29.243 0.1 1 267 33 33 GLU CG C 35.331 0.1 1 268 33 33 GLU N N 122.210 0.1 1 269 34 34 SER H H 7.902 0.005 1 270 34 34 SER HA H 4.351 0.005 1 271 34 34 SER HB2 H 3.922 0.005 1 272 34 34 SER HB3 H 3.922 0.005 1 273 34 34 SER CA C 58.392 0.1 1 274 34 34 SER CB C 64.265 0.1 1 275 34 34 SER N N 109.991 0.1 1 276 35 35 SER H H 7.415 0.005 1 277 35 35 SER HA H 4.373 0.005 1 278 35 35 SER HB2 H 3.886 0.005 1 279 35 35 SER HB3 H 3.886 0.005 1 280 35 35 SER CA C 58.115 0.1 1 281 35 35 SER CB C 65.468 0.1 1 282 35 35 SER N N 120.085 0.1 1 283 36 36 SER H H 8.045 0.005 1 284 36 36 SER HA H 4.280 0.005 1 285 36 36 SER HB2 H 4.072 0.005 2 286 36 36 SER HB3 H 4.003 0.005 2 287 36 36 SER CA C 59.305 0.1 1 288 36 36 SER CB C 63.285 0.1 1 289 36 36 SER N N 122.310 0.1 1 290 37 37 LEU H H 8.382 0.005 1 291 37 37 LEU HA H 4.222 0.005 1 292 37 37 LEU HB2 H 1.636 0.005 2 293 37 37 LEU HB3 H 1.596 0.005 2 294 37 37 LEU HG H 1.665 0.005 1 295 37 37 LEU HD1 H 0.893 0.005 2 296 37 37 LEU HD2 H 0.913 0.005 2 297 37 37 LEU CA C 55.985 0.1 1 298 37 37 LEU CB C 41.033 0.1 1 299 37 37 LEU CG C 25.943 0.1 1 300 37 37 LEU CD1 C 23.309 0.1 2 301 37 37 LEU CD2 C 23.170 0.1 2 302 37 37 LEU N N 121.678 0.1 1 303 38 38 GLY H H 7.274 0.005 1 304 38 38 GLY HA2 H 3.836 0.005 2 305 38 38 GLY HA3 H 3.879 0.005 2 306 38 38 GLY CA C 45.053 0.1 1 307 38 38 GLY N N 108.397 0.1 1 308 39 39 GLN H H 8.000 0.005 1 309 39 39 GLN HA H 4.523 0.005 1 310 39 39 GLN HB2 H 2.117 0.005 1 311 39 39 GLN HB3 H 2.117 0.005 1 312 39 39 GLN HG2 H 2.418 0.005 1 313 39 39 GLN HG3 H 2.418 0.005 1 314 39 39 GLN CA C 57.335 0.1 1 315 39 39 GLN CB C 29.121 0.1 1 316 39 39 GLN CG C 32.988 0.1 1 317 39 39 GLN N N 121.147 0.1 1 318 40 40 GLN H H 7.627 0.005 1 319 40 40 GLN HA H 4.136 0.005 1 320 40 40 GLN HB2 H 2.160 0.005 2 321 40 40 GLN HB3 H 2.162 0.005 2 322 40 40 GLN HG2 H 2.375 0.005 2 323 40 40 GLN HG3 H 2.354 0.005 2 324 40 40 GLN CA C 57.620 0.1 1 325 40 40 GLN CB C 28.482 0.1 1 326 40 40 GLN CG C 33.484 0.1 1 327 40 40 GLN N N 118.491 0.1 1 328 41 41 LEU H H 8.014 0.005 1 329 41 41 LEU HA H 4.222 0.005 1 330 41 41 LEU HB2 H 1.838 0.005 2 331 41 41 LEU HB3 H 1.601 0.005 2 332 41 41 LEU HG H 1.470 0.005 1 333 41 41 LEU HD1 H 0.811 0.005 2 334 41 41 LEU HD2 H 0.811 0.005 2 335 41 41 LEU CA C 55.675 0.1 1 336 41 41 LEU CB C 41.482 0.1 1 337 41 41 LEU CG C 25.872 0.1 1 338 41 41 LEU CD1 C 24.579 0.1 2 339 41 41 LEU CD2 C 21.492 0.1 2 340 41 41 LEU N N 116.897 0.1 1 341 42 42 ASN H H 7.838 0.005 1 342 42 42 ASN HA H 4.485 0.005 1 343 42 42 ASN HB2 H 2.461 0.005 1 344 42 42 ASN HB3 H 2.461 0.005 1 345 42 42 ASN CA C 53.661 0.1 1 346 42 42 ASN CB C 37.193 0.1 1 347 42 42 ASN N N 115.835 0.1 1 348 43 43 LEU H H 9.677 0.005 1 349 43 43 LEU HA H 4.480 0.005 1 350 43 43 LEU HG H 0.957 0.005 1 351 43 43 LEU HD1 H 0.871 0.005 2 352 43 43 LEU CA C 55.519 0.1 1 353 43 43 LEU CB C 41.182 0.1 1 354 43 43 LEU CG C 25.487 0.1 1 355 43 43 LEU CD1 C 21.737 0.1 2 356 43 43 LEU N N 118.491 0.1 1 357 44 44 ASN H H 8.974 0.005 1 358 44 44 ASN HA H 4.535 0.005 1 359 44 44 ASN HB2 H 2.590 0.005 1 360 44 44 ASN HB3 H 2.590 0.005 1 361 44 44 ASN CA C 52.833 0.1 1 362 44 44 ASN CB C 36.229 0.1 1 363 44 44 ASN N N 119.553 0.1 1 364 45 45 LEU H H 8.958 0.005 1 365 45 45 LEU HA H 4.048 0.005 1 366 45 45 LEU HB2 H 1.543 0.005 2 367 45 45 LEU HB3 H 1.533 0.005 2 368 45 45 LEU HG H 0.904 0.005 1 369 45 45 LEU HD2 H 0.803 0.005 2 370 45 45 LEU CA C 56.241 0.1 1 371 45 45 LEU CB C 41.289 0.1 1 372 45 45 LEU CG C 25.718 0.1 1 373 45 45 LEU CD1 C 24.419 0.1 2 374 45 45 LEU CD2 C 21.304 0.1 2 375 45 45 LEU N N 119.553 0.1 1 376 46 46 LEU H H 8.453 0.005 1 377 46 46 LEU HA H 4.437 0.005 1 378 46 46 LEU HB2 H 1.773 0.005 1 379 46 46 LEU HB3 H 1.773 0.005 1 380 46 46 LEU HD1 H 0.782 0.005 2 381 46 46 LEU HD2 H 0.732 0.005 2 382 46 46 LEU CA C 54.568 0.1 1 383 46 46 LEU CB C 39.806 0.1 1 384 46 46 LEU CG C 26.239 0.1 1 385 46 46 LEU CD1 C 21.774 0.1 2 386 46 46 LEU CD2 C 23.887 0.1 2 387 46 46 LEU N N 116.897 0.1 1 388 47 47 GLU H H 7.478 0.005 1 389 47 47 GLU HA H 4.018 0.005 1 390 47 47 GLU HB2 H 2.074 0.005 2 391 47 47 GLU HB3 H 2.117 0.005 2 392 47 47 GLU HG2 H 2.246 0.005 1 393 47 47 GLU HG3 H 2.246 0.005 1 394 47 47 GLU CA C 58.280 0.1 1 395 47 47 GLU CB C 28.580 0.1 1 396 47 47 GLU CG C 34.863 0.1 1 397 47 47 GLU N N 122.741 0.1 1 398 48 48 ASN H H 7.689 0.005 1 399 48 48 ASN HA H 4.524 0.005 1 400 48 48 ASN HB2 H 2.717 0.005 1 401 48 48 ASN HB3 H 2.717 0.005 1 402 48 48 ASN CA C 54.554 0.1 1 403 48 48 ASN CB C 40.069 0.1 1 404 48 48 ASN N N 117.429 0.1 1 405 49 49 TRP H H 8.025 0.005 1 406 49 49 TRP CA C 61.758 0.1 1 407 49 49 TRP CB C 30.139 0.1 1 408 49 49 TRP N N 123.272 0.1 1 409 50 50 ASP H H 8.486 0.005 1 410 50 50 ASP CA C 54.280 0.1 1 411 50 50 ASP CB C 37.590 0.1 1 412 50 50 ASP N N 124.860 0.1 1 413 51 51 THR H H 7.922 0.005 1 414 51 51 THR HA H 4.250 0.005 1 415 51 51 THR HG2 H 1.180 0.005 1 416 51 51 THR CA C 61.769 0.1 1 417 51 51 THR CB C 69.049 0.1 1 418 51 51 THR CG2 C 20.582 0.1 1 419 51 51 THR N N 114.241 0.1 1 420 52 52 LEU H H 8.005 0.005 1 421 52 52 LEU HA H 4.310 0.005 1 422 52 52 LEU HB2 H 1.601 0.005 1 423 52 52 LEU HB3 H 1.601 0.005 1 424 52 52 LEU HG H 1.546 0.005 1 425 52 52 LEU HD1 H 0.863 0.005 2 426 52 52 LEU HD2 H 0.764 0.005 2 427 52 52 LEU CA C 54.810 0.1 1 428 52 52 LEU CB C 41.214 0.1 1 429 52 52 LEU CG C 25.804 0.1 1 430 52 52 LEU CD1 C 23.956 0.1 2 431 52 52 LEU CD2 C 22.477 0.1 2 432 52 52 LEU N N 124.335 0.1 1 433 53 53 GLY H H 8.448 0.005 1 434 53 53 GLY HA2 H 4.023 0.005 2 435 53 53 GLY HA3 H 4.008 0.005 2 436 53 53 GLY CA C 44.614 0.1 1 437 53 53 GLY N N 109.991 0.1 1 438 54 54 SER H H 8.058 0.005 1 439 54 54 SER HB2 H 4.222 0.005 2 440 54 54 SER HB3 H 4.223 0.005 2 441 54 54 SER CA C 59.402 0.1 1 442 54 54 SER CB C 60.737 0.1 1 443 54 54 SER N N 113.710 0.1 1 444 55 55 THR H H 8.191 0.005 1 445 55 55 THR HB H 3.909 0.005 1 446 55 55 THR HG2 H 0.957 0.005 1 447 55 55 THR CA C 61.597 0.1 1 448 55 55 THR CB C 69.235 0.1 1 449 55 55 THR CG2 C 21.269 0.1 1 450 55 55 THR N N 116.897 0.1 1 451 56 56 VAL H H 8.279 0.005 1 452 56 56 VAL HA H 3.745 0.005 1 453 56 56 VAL HB H 1.773 0.005 1 454 56 56 VAL HG1 H 0.785 0.005 2 455 56 56 VAL CA C 66.384 0.1 1 456 56 56 VAL CB C 29.993 0.1 1 457 56 56 VAL CG1 C 22.206 0.1 2 458 56 56 VAL CG2 C 21.269 0.1 2 459 56 56 VAL N N 123.300 0.1 1 460 57 57 SER H H 7.846 0.005 1 461 57 57 SER HB2 H 3.953 0.005 2 462 57 57 SER HB3 H 3.914 0.005 2 463 57 57 SER CA C 61.074 0.1 1 464 57 57 SER CB C 62.243 0.1 1 465 57 57 SER N N 117.429 0.1 1 466 58 58 GLN H H 7.959 0.005 1 467 58 58 GLN CA C 56.590 0.1 1 468 58 58 GLN CB C 31.562 0.1 1 469 58 58 GLN CG C 33.424 0.1 1 470 59 59 LEU H H 8.051 0.005 1 471 59 59 LEU HA H 4.250 0.005 1 472 59 59 LEU HB2 H 1.644 0.005 2 473 59 59 LEU HB3 H 1.687 0.005 2 474 59 59 LEU HG H 1.646 0.005 1 475 59 59 LEU HD1 H 0.853 0.005 2 476 59 59 LEU HD2 H 0.833 0.005 2 477 59 59 LEU CA C 56.285 0.1 1 478 59 59 LEU CB C 41.052 0.1 1 479 59 59 LEU CG C 25.897 0.1 1 480 59 59 LEU CD1 C 23.910 0.1 2 481 59 59 LEU CD2 C 22.061 0.1 2 482 59 59 LEU N N 122.210 0.1 1 483 60 60 GLN H H 8.210 0.005 1 484 60 60 GLN HA H 4.222 0.005 1 485 60 60 GLN HB2 H 2.074 0.005 2 486 60 60 GLN HB3 H 2.117 0.005 2 487 60 60 GLN HG2 H 2.375 0.005 1 488 60 60 GLN HG3 H 2.375 0.005 1 489 60 60 GLN CA C 56.273 0.1 1 490 60 60 GLN CB C 30.468 0.1 1 491 60 60 GLN CG C 35.331 0.1 1 492 60 60 GLN N N 120.085 0.1 1 493 61 61 GLU H H 8.534 0.005 1 494 61 61 GLU HA H 4.246 0.005 1 495 61 61 GLU HB2 H 2.031 0.005 1 496 61 61 GLU HB3 H 2.031 0.005 1 497 61 61 GLU HG2 H 2.289 0.005 2 498 61 61 GLU HG3 H 2.304 0.005 2 499 61 61 GLU CA C 57.582 0.1 1 500 61 61 GLU CB C 28.585 0.1 1 501 61 61 GLU CG C 35.326 0.1 1 502 61 61 GLU N N 121.678 0.1 1 503 62 62 ARG H H 7.719 0.005 1 504 62 62 ARG HA H 4.161 0.005 1 505 62 62 ARG HB2 H 2.074 0.005 2 506 62 62 ARG HB3 H 2.117 0.005 2 507 62 62 ARG HG2 H 3.062 0.005 2 508 62 62 ARG HG3 H 3.019 0.005 2 509 62 62 ARG HD2 H 1.687 0.005 2 510 62 62 ARG HD3 H 1.730 0.005 2 511 62 62 ARG CA C 58.296 0.1 1 512 62 62 ARG CB C 29.362 0.1 1 513 62 62 ARG CG C 41.190 0.1 1 514 62 62 ARG CD C 55.956 0.1 1 515 62 62 ARG N N 119.022 0.1 1 516 63 63 LEU H H 8.353 0.005 1 517 63 63 LEU HA H 4.351 0.005 1 518 63 63 LEU HB2 H 1.687 0.005 1 519 63 63 LEU HB3 H 1.687 0.005 1 520 63 63 LEU HG H 1.687 0.005 1 521 63 63 LEU HD1 H 0.892 0.005 2 522 63 63 LEU HD2 H 0.871 0.005 2 523 63 63 LEU CA C 56.003 0.1 1 524 63 63 LEU CB C 41.618 0.1 1 525 63 63 LEU CG C 25.956 0.1 1 526 63 63 LEU CD1 C 24.398 0.1 2 527 63 63 LEU CD2 C 22.206 0.1 2 528 63 63 LEU N N 123.270 0.1 1 529 64 64 GLY H H 7.215 0.005 1 530 64 64 GLY HA2 H 4.652 0.005 1 531 64 64 GLY HA3 H 4.652 0.005 1 532 64 64 GLY CA C 44.145 0.1 1 533 64 64 GLY N N 104.679 0.1 1 534 65 65 PRO CA C 62.817 0.1 1 535 65 65 PRO CB C 30.818 0.1 1 536 65 65 PRO CG C 27.005 0.1 1 537 65 65 PRO CD C 48.812 0.1 1 538 66 66 LEU H H 8.554 0.005 1 539 66 66 LEU HA H 4.609 0.005 1 540 66 66 LEU HB2 H 1.730 0.005 1 541 66 66 LEU HB3 H 1.730 0.005 1 542 66 66 LEU HG H 1.816 0.005 1 543 66 66 LEU HD1 H 0.760 0.005 2 544 66 66 LEU HD2 H 0.760 0.005 2 545 66 66 LEU CA C 53.319 0.1 1 546 66 66 LEU CB C 43.164 0.1 1 547 66 66 LEU CG C 23.612 0.1 1 548 66 66 LEU CD1 C 25.019 0.1 2 549 66 66 LEU CD2 C 20.331 0.1 2 550 66 66 LEU N N 124.866 0.1 1 551 67 67 THR H H 7.656 0.005 1 552 67 67 THR HA H 4.824 0.005 1 553 67 67 THR HB H 3.163 0.005 1 554 67 67 THR HG2 H 1.321 0.005 1 555 67 67 THR CA C 59.409 0.1 1 556 67 67 THR CB C 71.624 0.1 1 557 67 67 THR CG2 C 20.971 0.1 1 558 67 67 THR N N 112.116 0.1 1 559 68 68 ARG H H 8.953 0.005 1 560 68 68 ARG CA C 58.611 0.1 1 561 68 68 ARG CB C 28.926 0.1 1 562 68 68 ARG CG C 26.023 0.1 1 563 68 68 ARG CD C 40.799 0.1 1 564 68 68 ARG N N 120.085 0.1 1 565 69 69 ASP H H 8.103 0.005 1 566 69 69 ASP HA H 4.290 0.005 1 567 69 69 ASP HB2 H 2.675 0.005 1 568 69 69 ASP HB3 H 2.675 0.005 1 569 69 69 ASP CA C 56.262 0.1 1 570 69 69 ASP CB C 39.786 0.1 1 571 69 69 ASP N N 116.366 0.1 1 572 70 70 PHE H H 7.420 0.005 1 573 70 70 PHE HA H 4.112 0.005 1 574 70 70 PHE HB2 H 3.148 0.005 1 575 70 70 PHE HB3 H 3.148 0.005 1 576 70 70 PHE CA C 60.591 0.1 1 577 70 70 PHE CB C 38.172 0.1 1 578 70 70 PHE N N 119.553 0.1 1 579 71 71 TRP H H 6.945 0.005 1 580 71 71 TRP HA H 4.136 0.005 1 581 71 71 TRP HB2 H 3.062 0.005 2 582 71 71 TRP HB3 H 3.105 0.005 2 583 71 71 TRP CA C 58.214 0.1 1 584 71 71 TRP CB C 28.322 0.1 1 585 71 71 TRP N N 120.085 0.1 1 586 72 72 ASP H H 7.782 0.005 1 587 72 72 ASP HA H 4.488 0.005 1 588 72 72 ASP HB2 H 2.718 0.005 1 589 72 72 ASP HB3 H 2.718 0.005 1 590 72 72 ASP CA C 55.819 0.1 1 591 72 72 ASP CB C 40.646 0.1 1 592 72 72 ASP N N 119.553 0.1 1 593 73 73 ASN H H 8.292 0.005 1 594 73 73 ASN HA H 4.607 0.005 1 595 73 73 ASN HB2 H 2.718 0.005 1 596 73 73 ASN HB3 H 2.718 0.005 1 597 73 73 ASN CA C 53.008 0.1 1 598 73 73 ASN CB C 38.349 0.1 1 599 73 73 ASN N N 119.553 0.1 1 600 74 74 LEU H H 8.268 0.005 1 601 74 74 LEU HA H 4.607 0.005 1 602 74 74 LEU HB2 H 1.601 0.005 1 603 74 74 LEU HB3 H 1.601 0.005 1 604 74 74 LEU HG H 1.644 0.005 1 605 74 74 LEU HD1 H 0.914 0.005 2 606 74 74 LEU HD2 H 0.828 0.005 2 607 74 74 LEU CA C 54.322 0.1 1 608 74 74 LEU CB C 40.945 0.1 1 609 74 74 LEU CG C 25.956 0.1 1 610 74 74 LEU CD1 C 24.081 0.1 2 611 74 74 LEU CD2 C 22.206 0.1 2 612 74 74 LEU N N 121.678 0.1 1 613 75 75 GLU H H 7.815 0.005 1 614 75 75 GLU CA C 58.597 0.1 1 615 75 75 GLU CB C 28.976 0.1 1 616 75 75 GLU N N 127.410 0.1 1 617 76 76 LYS H H 7.688 0.005 1 618 76 76 LYS HA H 4.117 0.005 1 619 76 76 LYS HB2 H 1.988 0.005 1 620 76 76 LYS HB3 H 1.988 0.005 1 621 76 76 LYS HG2 H 1.601 0.005 1 622 76 76 LYS HG3 H 1.601 0.005 1 623 76 76 LYS HD2 H 2.203 0.005 2 624 76 76 LYS HD3 H 2.260 0.005 2 625 76 76 LYS HE2 H 2.976 0.005 1 626 76 76 LYS HE3 H 2.976 0.005 1 627 76 76 LYS CA C 58.308 0.1 1 628 76 76 LYS CB C 32.377 0.1 1 629 76 76 LYS CG C 24.081 0.1 1 630 76 76 LYS CD C 27.904 0.1 1 631 76 76 LYS CE C 41.425 0.1 1 632 76 76 LYS N N 118.491 0.1 1 633 77 77 GLU H H 8.290 0.005 1 634 77 77 GLU HA H 4.280 0.005 1 635 77 77 GLU HB2 H 2.117 0.005 1 636 77 77 GLU HB3 H 2.117 0.005 1 637 77 77 GLU HG2 H 2.160 0.005 1 638 77 77 GLU HG3 H 2.160 0.005 1 639 77 77 GLU CA C 54.758 0.1 1 640 77 77 GLU CB C 28.176 0.1 1 641 77 77 GLU CG C 33.456 0.1 1 642 77 77 GLU N N 115.835 0.1 1 643 78 78 THR H H 7.491 0.005 1 644 78 78 THR HA H 4.410 0.005 1 645 78 78 THR HB H 3.965 0.005 1 646 78 78 THR HG2 H 1.386 0.005 1 647 78 78 THR CA C 68.012 0.1 1 648 78 78 THR CB C 69.451 0.1 1 649 78 78 THR CG2 C 20.331 0.1 1 650 78 78 THR N N 120.085 0.1 1 651 79 79 ASP H H 8.884 0.005 1 652 79 79 ASP HA H 4.480 0.005 1 653 79 79 ASP HB2 H 2.718 0.005 1 654 79 79 ASP HB3 H 2.718 0.005 1 655 79 79 ASP CA C 57.442 0.1 1 656 79 79 ASP CB C 39.362 0.1 1 657 79 79 ASP N N 120.085 0.1 1 658 80 80 TRP H H 7.758 0.005 1 659 80 80 TRP HA H 4.280 0.005 1 660 80 80 TRP HB2 H 3.363 0.005 2 661 80 80 TRP HB3 H 3.707 0.005 2 662 80 80 TRP CA C 60.948 0.1 1 663 80 80 TRP CB C 27.351 0.1 1 664 80 80 TRP N N 123.803 0.1 1 665 81 81 VAL H H 8.060 0.005 1 666 81 81 VAL HA H 4.310 0.005 1 667 81 81 VAL HB H 2.031 0.005 1 668 81 81 VAL HG1 H 0.828 0.005 2 669 81 81 VAL HG2 H 0.828 0.005 2 670 81 81 VAL CA C 64.875 0.1 1 671 81 81 VAL CB C 29.852 0.1 1 672 81 81 VAL CG1 C 22.206 0.1 1 673 81 81 VAL CG2 C 22.206 0.1 1 674 81 81 VAL N N 121.140 0.1 1 675 82 82 ARG H H 7.100 0.005 1 676 82 82 ARG HA H 4.480 0.005 1 677 82 82 ARG HB2 H 1.300 0.005 2 678 82 82 ARG HB3 H 1.343 0.005 2 679 82 82 ARG HG2 H 1.773 0.005 1 680 82 82 ARG HG3 H 1.773 0.005 1 681 82 82 ARG CA C 58.315 0.1 1 682 82 82 ARG CB C 28.653 0.1 1 683 82 82 ARG CG C 27.128 0.1 1 684 82 82 ARG N N 119.022 0.1 1 685 83 83 GLN H H 8.049 0.005 1 686 83 83 GLN HA H 4.222 0.005 1 687 83 83 GLN HB2 H 2.117 0.005 2 688 83 83 GLN HB3 H 2.160 0.005 2 689 83 83 GLN HG2 H 2.375 0.005 1 690 83 83 GLN HG3 H 2.375 0.005 1 691 83 83 GLN CA C 55.625 0.1 1 692 83 83 GLN CB C 28.506 0.1 1 693 83 83 GLN CG C 32.988 0.1 1 694 83 83 GLN N N 117.960 0.1 1 695 84 84 GLU H H 7.918 0.005 1 696 84 84 GLU HA H 4.211 0.005 1 697 84 84 GLU HB2 H 2.203 0.005 1 698 84 84 GLU HB3 H 2.203 0.005 1 699 84 84 GLU HG2 H 2.332 0.005 1 700 84 84 GLU HG3 H 2.332 0.005 1 701 84 84 GLU CA C 57.859 0.1 1 702 84 84 GLU CB C 28.265 0.1 1 703 84 84 GLU CG C 35.331 0.1 1 704 84 84 GLU N N 119.022 0.1 1 705 85 85 MET H H 8.284 0.005 1 706 85 85 MET HA H 4.265 0.005 1 707 85 85 MET HB2 H 2.074 0.005 2 708 85 85 MET HB3 H 2.160 0.005 2 709 85 85 MET HG2 H 2.332 0.005 2 710 85 85 MET HG3 H 2.375 0.005 2 711 85 85 MET CA C 54.626 0.1 1 712 85 85 MET CB C 25.198 0.1 1 713 85 85 MET CG C 32.519 0.1 1 714 85 85 MET N N 117.090 0.1 1 715 86 86 ASN H H 8.594 0.005 1 716 86 86 ASN HA H 4.523 0.005 1 717 86 86 ASN HB2 H 3.062 0.005 2 718 86 86 ASN HB3 H 2.847 0.005 2 719 86 86 ASN CA C 56.045 0.1 1 720 86 86 ASN CB C 37.792 0.1 1 721 86 86 ASN N N 119.022 0.1 1 722 87 87 LYS H H 7.212 0.005 1 723 87 87 LYS HA H 4.072 0.005 1 724 87 87 LYS HB2 H 1.945 0.005 1 725 87 87 LYS HB3 H 1.945 0.005 1 726 87 87 LYS HG2 H 1.558 0.005 1 727 87 87 LYS HG3 H 1.558 0.005 1 728 87 87 LYS HD2 H 1.687 0.005 2 729 87 87 LYS HD3 H 1.689 0.005 2 730 87 87 LYS HE2 H 2.890 0.005 1 731 87 87 LYS HE3 H 2.890 0.005 1 732 87 87 LYS CA C 59.034 0.1 1 733 87 87 LYS CB C 30.855 0.1 1 734 87 87 LYS CG C 23.612 0.1 1 735 87 87 LYS CD C 32.261 0.1 1 736 87 87 LYS CE C 40.956 0.1 1 737 87 87 LYS N N 120.085 0.1 1 738 88 88 ASP H H 7.411 0.005 1 739 88 88 ASP HA H 4.480 0.005 1 740 88 88 ASP HB2 H 2.632 0.005 1 741 88 88 ASP HB3 H 2.632 0.005 1 742 88 88 ASP CA C 56.961 0.1 1 743 88 88 ASP CB C 39.513 0.1 1 744 88 88 ASP N N 121.147 0.1 1 745 89 89 LEU H H 8.890 0.005 1 746 89 89 LEU HA H 4.480 0.005 1 747 89 89 LEU HB2 H 2.289 0.005 1 748 89 89 LEU HB3 H 2.289 0.005 1 749 89 89 LEU HD2 H 1.129 0.005 2 750 89 89 LEU CA C 57.140 0.1 1 751 89 89 LEU CB C 41.051 0.1 1 752 89 89 LEU CG C 26.572 0.1 1 753 89 89 LEU CD1 C 24.440 0.1 2 754 89 89 LEU CD2 C 21.269 0.1 2 755 89 89 LEU N N 122.741 0.1 1 756 90 90 GLU H H 8.277 0.005 1 757 90 90 GLU HA H 4.050 0.005 1 758 90 90 GLU HB2 H 2.160 0.005 1 759 90 90 GLU HB3 H 2.160 0.005 1 760 90 90 GLU HG2 H 2.418 0.005 2 761 90 90 GLU HG3 H 2.436 0.005 2 762 90 90 GLU CA C 59.156 0.1 1 763 90 90 GLU CB C 28.345 0.1 1 764 90 90 GLU CG C 35.290 0.1 1 765 90 90 GLU N N 119.553 0.1 1 766 91 91 GLU H H 7.472 0.005 1 767 91 91 GLU HA H 4.136 0.005 1 768 91 91 GLU HB2 H 2.203 0.005 1 769 91 91 GLU HB3 H 2.203 0.005 1 770 91 91 GLU HG2 H 2.418 0.005 1 771 91 91 GLU HG3 H 2.418 0.005 1 772 91 91 GLU CA C 58.305 0.1 1 773 91 91 GLU CB C 28.611 0.1 1 774 91 91 GLU CG C 34.863 0.1 1 775 91 91 GLU N N 118.491 0.1 1 776 92 92 VAL H H 8.396 0.005 1 777 92 92 VAL HA H 3.775 0.005 1 778 92 92 VAL HB H 2.182 0.005 1 779 92 92 VAL HG1 H 1.289 0.005 2 780 92 92 VAL HG2 H 1.147 0.005 2 781 92 92 VAL CA C 65.938 0.1 1 782 92 92 VAL CB C 30.111 0.1 1 783 92 92 VAL CG1 C 24.544 0.1 2 784 92 92 VAL CG2 C 21.304 0.1 2 785 92 92 VAL N N 122.033 0.1 1 786 93 93 LYS H H 8.999 0.005 1 787 93 93 LYS HA H 3.836 0.005 1 788 93 93 LYS HB2 H 1.902 0.005 1 789 93 93 LYS HB3 H 1.902 0.005 1 790 93 93 LYS HG2 H 1.429 0.005 1 791 93 93 LYS HG3 H 1.429 0.005 1 792 93 93 LYS HD2 H 1.687 0.005 1 793 93 93 LYS HD3 H 1.687 0.005 1 794 93 93 LYS HE2 H 2.933 0.005 1 795 93 93 LYS HE3 H 2.933 0.005 1 796 93 93 LYS CA C 59.898 0.1 1 797 93 93 LYS CB C 31.243 0.1 1 798 93 93 LYS CG C 25.019 0.1 1 799 93 93 LYS CD C 28.300 0.1 1 800 93 93 LYS CE C 40.488 0.1 1 801 93 93 LYS N N 121.147 0.1 1 802 94 94 GLN H H 7.318 0.005 1 803 94 94 GLN HA H 4.136 0.005 1 804 94 94 GLN HB2 H 2.203 0.005 2 805 94 94 GLN HB3 H 2.246 0.005 2 806 94 94 GLN HG2 H 2.590 0.005 2 807 94 94 GLN HG3 H 2.504 0.005 2 808 94 94 GLN CA C 58.030 0.1 1 809 94 94 GLN CB C 27.945 0.1 1 810 94 94 GLN CG C 32.988 0.1 1 811 94 94 GLN N N 116.897 0.1 1 812 95 95 LYS H H 7.610 0.005 1 813 95 95 LYS HA H 4.119 0.005 1 814 95 95 LYS HB2 H 1.816 0.005 2 815 95 95 LYS HB3 H 1.773 0.005 2 816 95 95 LYS HG2 H 1.604 0.005 2 817 95 95 LYS HG3 H 1.558 0.005 2 818 95 95 LYS HD2 H 2.203 0.005 1 819 95 95 LYS HD3 H 2.203 0.005 1 820 95 95 LYS HE2 H 3.062 0.005 1 821 95 95 LYS HE3 H 3.062 0.005 1 822 95 95 LYS CA C 57.724 0.1 1 823 95 95 LYS CB C 31.737 0.1 1 824 95 95 LYS CG C 24.172 0.1 1 825 95 95 LYS CD C 27.831 0.1 1 826 95 95 LYS CE C 41.425 0.1 1 827 95 95 LYS N N 119.553 0.1 1 828 96 96 VAL H H 7.964 0.005 1 829 96 96 VAL HA H 4.160 0.005 1 830 96 96 VAL HB H 1.859 0.005 1 831 96 96 VAL HG1 H 0.785 0.005 2 832 96 96 VAL HG2 H 0.914 0.005 2 833 96 96 VAL CA C 61.596 0.1 1 834 96 96 VAL CB C 31.278 0.1 1 835 96 96 VAL CG1 C 20.800 0.1 2 836 96 96 VAL CG2 C 19.394 0.1 2 837 96 96 VAL N N 111.054 0.1 1 838 97 97 GLN H H 7.376 0.005 1 839 97 97 GLN HA H 4.179 0.005 1 840 97 97 GLN HB2 H 2.071 0.005 2 841 97 97 GLN HB3 H 2.061 0.005 2 842 97 97 GLN HG2 H 2.458 0.005 2 843 97 97 GLN HG3 H 2.448 0.005 2 844 97 97 GLN CA C 59.226 0.1 1 845 97 97 GLN CB C 24.578 0.1 1 846 97 97 GLN CG C 32.350 0.1 1 847 97 97 GLN N N 122.210 0.1 1 848 98 98 PRO CA C 65.379 0.1 1 849 98 98 PRO CB C 30.111 0.1 1 850 98 98 PRO CG C 27.731 0.1 1 851 98 98 PRO CD C 49.985 0.1 1 852 99 99 TYR H H 7.100 0.005 1 853 99 99 TYR HA H 4.523 0.005 1 854 99 99 TYR HB2 H 2.847 0.005 1 855 99 99 TYR HB3 H 2.847 0.005 1 856 99 99 TYR CA C 58.446 0.1 1 857 99 99 TYR CB C 36.431 0.1 1 858 99 99 TYR N N 116.366 0.1 1 859 100 100 LEU H H 7.512 0.005 1 860 100 100 LEU HA H 4.028 0.005 1 861 100 100 LEU HB2 H 2.246 0.005 2 862 100 100 LEU HB3 H 2.203 0.005 2 863 100 100 LEU HD1 H 0.699 0.005 2 864 100 100 LEU CA C 57.229 0.1 1 865 100 100 LEU CB C 37.612 0.1 1 866 100 100 LEU CG C 26.514 0.1 1 867 100 100 LEU CD1 C 24.081 0.1 2 868 100 100 LEU CD2 C 22.815 0.1 2 869 100 100 LEU N N 123.271 0.1 1 870 101 101 ASP H H 8.458 0.005 1 871 101 101 ASP HA H 4.141 0.005 1 872 101 101 ASP HB2 H 2.718 0.005 1 873 101 101 ASP HB3 H 2.718 0.005 1 874 101 101 ASP CA C 58.617 0.1 1 875 101 101 ASP CB C 39.580 0.1 1 876 101 101 ASP N N 119.022 0.1 1 877 102 102 GLU H H 8.185 0.005 1 878 102 102 GLU HA H 4.222 0.005 1 879 102 102 GLU HB2 H 2.117 0.005 1 880 102 102 GLU HB3 H 2.117 0.005 1 881 102 102 GLU HG2 H 2.289 0.005 1 882 102 102 GLU HG3 H 2.289 0.005 1 883 102 102 GLU CA C 59.238 0.1 1 884 102 102 GLU CB C 31.113 0.1 1 885 102 102 GLU CG C 35.331 0.1 1 886 102 102 GLU N N 121.220 0.1 1 887 103 103 PHE H H 8.231 0.005 1 888 103 103 PHE CA C 57.167 0.1 1 889 103 103 PHE CB C 38.624 0.1 1 890 103 103 PHE N N 124.340 0.1 1 891 104 104 GLN H H 8.034 0.005 1 892 104 104 GLN HA H 4.222 0.005 1 893 104 104 GLN HB2 H 2.124 0.005 2 894 104 104 GLN HG2 H 2.439 0.005 2 895 104 104 GLN CA C 55.449 0.1 1 896 104 104 GLN CB C 30.139 0.1 1 897 104 104 GLN CG C 32.864 0.1 1 898 104 104 GLN N N 123.272 0.1 1 899 105 105 LYS H H 7.820 0.005 1 900 105 105 LYS HA H 4.136 0.005 1 901 105 105 LYS HB2 H 1.788 0.005 2 902 105 105 LYS HB3 H 1.797 0.005 2 903 105 105 LYS HG2 H 1.515 0.005 2 904 105 105 LYS HG3 H 1.511 0.005 2 905 105 105 LYS HD2 H 1.630 0.005 2 906 105 105 LYS HD3 H 1.640 0.005 2 907 105 105 LYS HE2 H 2.962 0.005 2 908 105 105 LYS HE3 H 2.972 0.005 2 909 105 105 LYS CA C 57.831 0.1 1 910 105 105 LYS CB C 32.219 0.1 1 911 105 105 LYS CG C 24.085 0.1 1 912 105 105 LYS CD C 27.920 0.1 1 913 105 105 LYS CE C 41.150 0.1 1 914 105 105 LYS N N 118.440 0.1 1 915 106 106 LYS H H 7.732 0.005 1 916 106 106 LYS CA C 57.180 0.1 1 917 106 106 LYS CB C 33.160 0.1 1 918 106 106 LYS N N 117.960 0.1 1 919 108 108 LYS CA C 62.265 0.1 1 920 108 108 LYS CB C 30.249 0.1 1 921 109 109 GLU H H 8.059 0.005 1 922 109 109 GLU HA H 4.136 0.005 1 923 109 109 GLU HB2 H 2.203 0.005 1 924 109 109 GLU HB3 H 2.203 0.005 1 925 109 109 GLU HG2 H 2.332 0.005 1 926 109 109 GLU HG3 H 2.332 0.005 1 927 109 109 GLU CA C 58.390 0.1 1 928 109 109 GLU CB C 29.160 0.1 1 929 109 109 GLU CG C 35.331 0.1 1 930 109 109 GLU N N 117.960 0.1 1 931 110 110 ASP H H 8.219 0.005 1 932 110 110 ASP HA H 4.458 0.005 1 933 110 110 ASP HB2 H 2.675 0.005 1 934 110 110 ASP HB3 H 2.675 0.005 1 935 110 110 ASP CA C 57.339 0.1 1 936 110 110 ASP CB C 40.215 0.1 1 937 110 110 ASP N N 121.678 0.1 1 938 111 111 VAL H H 9.198 0.005 1 939 111 111 VAL HB H 2.504 0.005 1 940 111 111 VAL HG1 H 1.515 0.005 2 941 111 111 VAL HG2 H 1.172 0.005 2 942 111 111 VAL CA C 66.387 0.1 1 943 111 111 VAL CB C 30.823 0.1 1 944 111 111 VAL CG1 C 24.081 0.1 2 945 111 111 VAL CG2 C 20.800 0.1 2 946 111 111 VAL N N 123.803 0.1 1 947 112 112 GLU H H 7.550 0.005 1 948 112 112 GLU HA H 4.179 0.005 1 949 112 112 GLU HB2 H 2.160 0.005 2 950 112 112 GLU HB3 H 2.203 0.005 2 951 112 112 GLU HG2 H 2.418 0.005 1 952 112 112 GLU HG3 H 2.418 0.005 1 953 112 112 GLU CA C 58.431 0.1 1 954 112 112 GLU CB C 28.378 0.1 1 955 112 112 GLU CG C 34.863 0.1 1 956 112 112 GLU N N 119.553 0.1 1 957 113 113 LEU H H 7.890 0.005 1 958 113 113 LEU HA H 4.211 0.005 1 959 113 113 LEU HB2 H 3.148 0.005 1 960 113 113 LEU HB3 H 3.148 0.005 1 961 113 113 LEU HG H 1.687 0.005 1 962 113 113 LEU HD1 H 0.957 0.005 2 963 113 113 LEU HD2 H 0.914 0.005 2 964 113 113 LEU CA C 55.107 0.1 1 965 113 113 LEU CB C 39.512 0.1 1 966 113 113 LEU CG C 25.956 0.1 1 967 113 113 LEU CD1 C 23.144 0.1 2 968 113 113 LEU CD2 C 19.862 0.1 2 969 113 113 LEU N N 120.080 0.1 1 970 114 114 TYR H H 8.035 0.005 1 971 114 114 TYR HA H 4.240 0.005 1 972 114 114 TYR HB2 H 2.718 0.005 2 973 114 114 TYR HB3 H 2.725 0.005 2 974 114 114 TYR CA C 57.370 0.1 1 975 114 114 TYR CB C 37.920 0.1 1 976 114 114 TYR N N 121.147 0.1 1 977 115 115 ARG H H 7.640 0.005 1 978 115 115 ARG CA C 56.356 0.1 1 979 115 115 ARG CB C 29.503 0.1 1 980 115 115 ARG N N 127.522 0.1 1 981 116 116 GLN H H 7.980 0.005 1 982 116 116 GLN CA C 57.243 0.1 1 983 116 116 GLN CB C 28.600 0.1 1 984 116 116 GLN CG C 33.459 0.1 1 985 116 116 GLN N N 121.678 0.1 1 986 117 117 LYS H H 7.790 0.005 1 987 117 117 LYS HA H 4.211 0.005 1 988 117 117 LYS HB2 H 2.031 0.005 1 989 117 117 LYS HB3 H 2.031 0.005 1 990 117 117 LYS HG2 H 1.515 0.005 2 991 117 117 LYS HG3 H 1.507 0.005 2 992 117 117 LYS HD2 H 2.203 0.005 1 993 117 117 LYS HD3 H 2.203 0.005 1 994 117 117 LYS HE2 H 2.992 0.005 1 995 117 117 LYS HE3 H 2.992 0.005 1 996 117 117 LYS CA C 56.585 0.1 1 997 117 117 LYS CB C 32.847 0.1 1 998 117 117 LYS CG C 24.019 0.1 1 999 117 117 LYS CD C 27.831 0.1 1 1000 117 117 LYS CE C 40.946 0.1 1 1001 117 117 LYS N N 119.022 0.1 1 1002 118 118 ALA H H 8.105 0.005 1 1003 118 118 ALA HA H 4.179 0.005 1 1004 118 118 ALA HB H 1.043 0.005 1 1005 118 118 ALA CA C 52.215 0.1 1 1006 118 118 ALA CB C 17.839 0.1 1 1007 118 118 ALA N N 122.741 0.1 1 1008 119 119 SER H H 7.804 0.005 1 1009 119 119 SER HA H 4.726 0.005 1 1010 119 119 SER HB2 H 3.879 0.005 2 1011 119 119 SER HB3 H 3.836 0.005 2 1012 119 119 SER CA C 56.153 0.1 1 1013 119 119 SER CB C 63.199 0.1 1 1014 119 119 SER N N 115.835 0.1 1 1015 120 120 PRO CA C 63.074 0.1 1 1016 120 120 PRO CB C 31.408 0.1 1 1017 120 120 PRO CG C 26.901 0.1 1 1018 120 120 PRO CD C 50.035 0.1 1 1019 121 121 GLN H H 8.503 0.005 1 1020 121 121 GLN HA H 4.330 0.005 1 1021 121 121 GLN HB2 H 2.074 0.005 1 1022 121 121 GLN HB3 H 2.074 0.005 1 1023 121 121 GLN HG2 H 2.375 0.005 1 1024 121 121 GLN HG3 H 2.375 0.005 1 1025 121 121 GLN CA C 55.868 0.1 1 1026 121 121 GLN CB C 28.102 0.1 1 1027 121 121 GLN CG C 32.988 0.1 1 1028 121 121 GLN N N 120.450 0.1 1 1029 122 122 GLY H H 8.375 0.005 1 1030 122 122 GLY HA2 H 3.963 0.005 1 1031 122 122 GLY HA3 H 3.963 0.005 1 1032 122 122 GLY CA C 44.478 0.1 1 1033 122 122 GLY N N 109.991 0.1 1 1034 123 123 ALA H H 8.196 0.005 1 1035 123 123 ALA HA H 4.280 0.005 1 1036 123 123 ALA HB H 1.343 0.005 1 1037 123 123 ALA CA C 78.326 0.1 1 1038 123 123 ALA CB C 18.340 0.1 1 1039 123 123 ALA N N 124.866 0.1 1 1040 124 124 GLU H H 8.507 0.005 1 1041 124 124 GLU HA H 4.265 0.005 1 1042 124 124 GLU HB2 H 2.117 0.005 2 1043 124 124 GLU HB3 H 2.160 0.005 2 1044 124 124 GLU HG2 H 2.289 0.005 1 1045 124 124 GLU HG3 H 2.289 0.005 1 1046 124 124 GLU CA C 56.524 0.1 1 1047 124 124 GLU CB C 29.013 0.1 1 1048 124 124 GLU CG C 35.331 0.1 1 1049 124 124 GLU N N 120.085 0.1 1 1050 125 125 LEU H H 8.106 0.005 1 1051 125 125 LEU HA H 4.222 0.005 1 1052 125 125 LEU HB2 H 1.644 0.005 2 1053 125 125 LEU HB3 H 1.655 0.005 2 1054 125 125 LEU HG H 1.644 0.005 1 1055 125 125 LEU HD1 H 0.914 0.005 2 1056 125 125 LEU HD2 H 0.871 0.005 2 1057 125 125 LEU CA C 55.756 0.1 1 1058 125 125 LEU CB C 38.787 0.1 1 1059 125 125 LEU CG C 25.956 0.1 1 1060 125 125 LEU CD1 C 24.081 0.1 2 1061 125 125 LEU CD2 C 22.206 0.1 2 1062 125 125 LEU N N 122.741 0.1 1 1063 126 126 GLN H H 8.190 0.005 1 1064 126 126 GLN HA H 4.201 0.005 1 1065 126 126 GLN HB2 H 1.644 0.005 1 1066 126 126 GLN HB3 H 1.644 0.005 1 1067 126 126 GLN HG2 H 2.418 0.005 1 1068 126 126 GLN HG3 H 2.418 0.005 1 1069 126 126 GLN CA C 56.394 0.1 1 1070 126 126 GLN CB C 28.138 0.1 1 1071 126 126 GLN CG C 32.988 0.1 1 1072 126 126 GLN N N 120.616 0.1 1 1073 127 127 GLU H H 8.130 0.005 1 1074 127 127 GLU HA H 4.480 0.005 1 1075 127 127 GLU HB2 H 2.074 0.005 1 1076 127 127 GLU HB3 H 2.074 0.005 1 1077 127 127 GLU HG2 H 2.246 0.005 1 1078 127 127 GLU HG3 H 2.246 0.005 1 1079 127 127 GLU CA C 57.956 0.1 1 1080 127 127 GLU CB C 15.250 0.1 1 1081 127 127 GLU CG C 35.331 0.1 1 1082 127 127 GLU N N 121.100 0.1 1 1083 128 128 SER H H 8.580 0.005 1 1084 128 128 SER HB2 H 4.072 0.005 2 1085 128 128 SER HB3 H 4.062 0.005 2 1086 128 128 SER CA C 57.890 0.1 1 1087 128 128 SER CB C 63.880 0.1 1 1088 128 128 SER N N 117.960 0.1 1 1089 129 129 ALA H H 7.980 0.005 1 1090 129 129 ALA CA C 53.022 0.1 1 1091 129 129 ALA CB C 18.608 0.1 1 1092 129 129 ALA N N 132.300 0.1 1 1093 130 130 ARG H H 8.151 0.005 1 1094 130 130 ARG HA H 4.274 0.005 1 1095 130 130 ARG HB2 H 1.936 0.005 2 1096 130 130 ARG HB3 H 1.946 0.005 2 1097 130 130 ARG HG2 H 1.601 0.005 2 1098 130 130 ARG HG3 H 1.590 0.005 2 1099 130 130 ARG HD2 H 3.189 0.005 2 1100 130 130 ARG HD3 H 3.199 0.005 2 1101 130 130 ARG CA C 55.245 0.1 1 1102 130 130 ARG CB C 29.495 0.1 1 1103 130 130 ARG CG C 26.037 0.1 1 1104 130 130 ARG CD C 42.241 0.1 1 1105 130 130 ARG N N 119.553 0.1 1 1106 131 131 GLN H H 7.884 0.005 1 1107 131 131 GLN HA H 4.112 0.005 1 1108 131 131 GLN HB2 H 2.203 0.005 1 1109 131 131 GLN HB3 H 2.203 0.005 1 1110 131 131 GLN HG2 H 2.461 0.005 1 1111 131 131 GLN HG3 H 2.461 0.005 1 1112 131 131 GLN CA C 56.072 0.1 1 1113 131 131 GLN CB C 29.048 0.1 1 1114 131 131 GLN CG C 32.519 0.1 1 1115 131 131 GLN N N 117.960 0.1 1 1116 132 132 LYS CA C 56.802 0.1 1 1117 132 132 LYS CB C 31.034 0.1 1 1118 133 133 LEU H H 8.318 0.005 1 1119 133 133 LEU HA H 4.324 0.005 1 1120 133 133 LEU HB2 H 1.630 0.005 2 1121 133 133 LEU HB3 H 1.640 0.005 2 1122 133 133 LEU HG H 1.649 0.005 1 1123 133 133 LEU HD1 H 0.821 0.005 2 1124 133 133 LEU HD2 H 0.909 0.005 2 1125 133 133 LEU CA C 53.881 0.1 1 1126 133 133 LEU CB C 40.346 0.1 1 1127 133 133 LEU CG C 26.118 0.1 1 1128 133 133 LEU CD1 C 22.363 0.1 2 1129 133 133 LEU CD2 C 24.342 0.1 2 1130 133 133 LEU N N 120.616 0.1 1 1131 134 134 GLN H H 7.879 0.005 1 1132 134 134 GLN HA H 4.222 0.005 1 1133 134 134 GLN HB2 H 2.094 0.005 2 1134 134 134 GLN HB3 H 2.074 0.005 2 1135 134 134 GLN HG2 H 2.409 0.005 2 1136 134 134 GLN HG3 H 2.399 0.005 2 1137 134 134 GLN CA C 56.106 0.1 1 1138 134 134 GLN CB C 31.810 0.1 1 1139 134 134 GLN CG C 33.361 0.1 1 1140 134 134 GLN N N 121.147 0.1 1 1141 135 135 GLU CA C 66.555 0.1 1 1142 135 135 GLU CB C 30.963 0.1 1 1143 136 136 LEU H H 8.602 0.005 1 1144 136 136 LEU CA C 54.832 0.1 1 1145 136 136 LEU CB C 41.234 0.1 1 1146 136 136 LEU CG C 26.316 0.1 1 1147 136 136 LEU CD1 C 24.593 0.1 2 1148 136 136 LEU CD2 C 22.813 0.1 2 1149 136 136 LEU N N 122.210 0.1 1 1150 137 137 GLN H H 7.938 0.005 1 1151 137 137 GLN CA C 56.262 0.1 1 1152 137 137 GLN CB C 27.983 0.1 1 1153 137 137 GLN CG C 33.397 0.1 1 1154 137 137 GLN N N 124.866 0.1 1 1155 138 138 GLY H H 8.395 0.005 1 1156 138 138 GLY HA2 H 3.965 0.005 2 1157 138 138 GLY HA3 H 3.973 0.005 2 1158 138 138 GLY CA C 44.960 0.1 1 1159 138 138 GLY N N 111.054 0.1 1 1160 139 139 ARG H H 8.083 0.005 1 1161 139 139 ARG HA H 4.284 0.005 1 1162 139 139 ARG HB2 H 2.054 0.005 1 1163 139 139 ARG HB3 H 2.054 0.005 1 1164 139 139 ARG HG2 H 1.644 0.005 2 1165 139 139 ARG HG3 H 1.640 0.005 2 1166 139 139 ARG HD2 H 3.288 0.005 1 1167 139 139 ARG HD3 H 3.288 0.005 1 1168 139 139 ARG CA C 55.999 0.1 1 1169 139 139 ARG CB C 29.817 0.1 1 1170 139 139 ARG CG C 26.012 0.1 1 1171 139 139 ARG CD C 42.494 0.1 1 1172 139 139 ARG N N 116.366 0.1 1 1173 140 140 LEU H H 7.740 0.005 1 1174 140 140 LEU HA H 4.265 0.005 1 1175 140 140 LEU HB2 H 1.644 0.005 1 1176 140 140 LEU HB3 H 1.644 0.005 1 1177 140 140 LEU HG H 1.590 0.005 1 1178 140 140 LEU HD1 H 0.939 0.005 2 1179 140 140 LEU HD2 H 0.850 0.005 2 1180 140 140 LEU CA C 55.446 0.1 1 1181 140 140 LEU CB C 41.192 0.1 1 1182 140 140 LEU CG C 25.814 0.1 1 1183 140 140 LEU CD1 C 24.139 0.1 2 1184 140 140 LEU CD2 C 22.262 0.1 2 1185 140 140 LEU N N 126.460 0.1 1 1186 141 141 SER H H 8.436 0.005 1 1187 141 141 SER HA H 4.419 0.005 1 1188 141 141 SER HB2 H 4.136 0.005 2 1189 141 141 SER HB3 H 4.179 0.005 2 1190 141 141 SER CA C 56.384 0.1 1 1191 141 141 SER CB C 62.996 0.1 1 1192 141 141 SER N N 119.022 0.1 1 1193 142 142 PRO CA C 64.605 0.1 1 1194 142 142 PRO CB C 31.173 0.1 1 1195 142 142 PRO CG C 27.361 0.1 1 1196 142 142 PRO CD C 49.937 0.1 1 1197 143 143 VAL H H 7.791 0.005 1 1198 143 143 VAL HA H 4.131 0.005 1 1199 143 143 VAL HB H 2.117 0.005 1 1200 143 143 VAL HG1 H 1.012 0.005 2 1201 143 143 VAL HG2 H 1.022 0.005 2 1202 143 143 VAL CA C 62.654 0.1 1 1203 143 143 VAL CB C 31.482 0.1 1 1204 143 143 VAL CG1 C 20.813 0.1 2 1205 143 143 VAL CG2 C 20.859 0.1 2 1206 143 143 VAL N N 116.897 0.1 1 1207 144 144 ALA H H 7.970 0.005 1 1208 144 144 ALA HA H 4.389 0.005 1 1209 144 144 ALA HB H 1.695 0.005 1 1210 144 144 ALA CA C 54.530 0.1 1 1211 144 144 ALA CB C 18.284 0.1 1 1212 144 144 ALA N N 125.390 0.1 1 1213 145 145 GLU H H 8.600 0.005 1 1214 145 145 GLU HA H 4.062 0.005 1 1215 145 145 GLU HB2 H 2.074 0.005 2 1216 145 145 GLU HB3 H 2.117 0.005 2 1217 145 145 GLU HG2 H 2.203 0.005 2 1218 145 145 GLU HG3 H 2.418 0.005 2 1219 145 145 GLU CA C 59.401 0.1 1 1220 145 145 GLU CB C 28.611 0.1 1 1221 145 145 GLU CG C 35.800 0.1 1 1222 145 145 GLU N N 120.085 0.1 1 1223 146 146 GLU H H 8.057 0.005 1 1224 146 146 GLU HA H 4.222 0.005 1 1225 146 146 GLU HB2 H 2.117 0.005 2 1226 146 146 GLU HB3 H 2.203 0.005 2 1227 146 146 GLU HG2 H 2.289 0.005 1 1228 146 146 GLU HG3 H 2.289 0.005 1 1229 146 146 GLU CA C 58.659 0.1 1 1230 146 146 GLU CB C 28.400 0.1 1 1231 146 146 GLU CG C 35.331 0.1 1 1232 146 146 GLU N N 118.491 0.1 1 1233 148 148 ARG CA C 57.734 0.1 1 1234 148 148 ARG CB C 28.808 0.1 1 1235 149 149 ASP H H 8.281 0.005 1 1236 149 149 ASP HA H 4.265 0.005 1 1237 149 149 ASP HB2 H 2.547 0.005 2 1238 149 149 ASP HB3 H 2.761 0.005 2 1239 149 149 ASP CA C 54.680 0.1 1 1240 149 149 ASP CB C 39.726 0.1 1 1241 149 149 ASP N N 118.491 0.1 1 1242 150 150 ARG H H 7.857 0.005 1 1243 150 150 ARG CA C 56.850 0.1 1 1244 150 150 ARG CB C 30.451 0.1 1 1245 150 150 ARG CG C 26.518 0.1 1 1246 150 150 ARG CD C 42.939 0.1 1 1247 150 150 ARG N N 126.460 0.1 1 1248 151 151 MET H H 8.353 0.005 1 1249 151 151 MET CA C 56.411 0.1 1 1250 151 151 MET CB C 32.128 0.1 1 1251 151 151 MET N N 123.272 0.1 1 1252 152 152 ARG H H 8.507 0.005 1 1253 152 152 ARG CA C 56.218 0.1 1 1254 152 152 ARG CB C 29.301 0.1 1 1255 152 152 ARG CG C 26.403 0.1 1 1256 152 152 ARG CD C 42.889 0.1 1 1257 152 152 ARG N N 122.741 0.1 1 1258 153 153 THR H H 8.182 0.005 1 1259 153 153 THR CA C 61.167 0.1 1 1260 153 153 THR CB C 69.415 0.1 1 1261 153 153 THR N N 115.832 0.1 1 1262 154 154 HIS H H 7.950 0.005 1 1263 154 154 HIS CA C 56.569 0.1 1 1264 154 154 HIS CB C 31.150 0.1 1 1265 154 154 HIS N N 129.120 0.1 1 1266 155 155 VAL H H 7.913 0.005 1 1267 155 155 VAL HA H 4.012 0.005 1 1268 155 155 VAL HB H 1.773 0.005 1 1269 155 155 VAL HG2 H 0.914 0.005 2 1270 155 155 VAL CA C 62.369 0.1 1 1271 155 155 VAL CB C 31.691 0.1 1 1272 155 155 VAL CG2 C 21.737 0.1 2 1273 155 155 VAL N N 120.085 0.1 1 1274 156 156 ASP H H 8.106 0.005 1 1275 156 156 ASP HA H 4.222 0.005 1 1276 156 156 ASP HB2 H 2.547 0.005 2 1277 156 156 ASP HB3 H 2.637 0.005 2 1278 156 156 ASP CA C 57.340 0.1 1 1279 156 156 ASP CB C 40.164 0.1 1 1280 156 156 ASP N N 121.147 0.1 1 1281 157 157 SER H H 8.696 0.005 1 1282 157 157 SER HA H 4.240 0.005 1 1283 157 157 SER HB2 H 4.022 0.005 2 1284 157 157 SER CA C 61.500 0.1 1 1285 157 157 SER CB C 62.668 0.1 1 1286 157 157 SER N N 116.366 0.1 1 1287 158 158 LEU H H 7.801 0.005 1 1288 158 158 LEU HA H 4.547 0.005 1 1289 158 158 LEU HB2 H 1.601 0.005 2 1290 158 158 LEU HB3 H 1.644 0.005 2 1291 158 158 LEU HD1 H 0.760 0.005 2 1292 158 158 LEU CA C 56.861 0.1 1 1293 158 158 LEU CB C 40.713 0.1 1 1294 158 158 LEU CD1 C 24.081 0.1 2 1295 158 158 LEU N N 123.272 0.1 1 1296 159 159 ARG H H 8.651 0.005 1 1297 159 159 ARG HA H 4.566 0.005 1 1298 159 159 ARG HB2 H 1.902 0.005 2 1299 159 159 ARG HB3 H 1.945 0.005 2 1300 159 159 ARG HG2 H 0.957 0.005 2 1301 159 159 ARG HG3 H 0.982 0.005 2 1302 159 159 ARG CA C 57.855 0.1 1 1303 159 159 ARG CB C 29.125 0.1 1 1304 159 159 ARG CG C 25.927 0.1 1 1305 159 159 ARG CD C 42.916 0.1 1 1306 159 159 ARG N N 119.553 0.1 1 1307 160 160 THR H H 8.099 0.005 1 1308 160 160 THR HA H 3.914 0.005 1 1309 160 160 THR HB H 4.330 0.005 1 1310 160 160 THR HG2 H 1.220 0.005 1 1311 160 160 THR CA C 65.284 0.1 1 1312 160 160 THR CB C 69.149 0.1 1 1313 160 160 THR CG2 C 20.859 0.1 1 1314 160 160 THR N N 114.772 0.1 1 1315 161 161 GLN H H 8.074 0.005 1 1316 161 161 GLN HA H 4.265 0.005 1 1317 161 161 GLN HB2 H 1.644 0.005 1 1318 161 161 GLN HB3 H 1.644 0.005 1 1319 161 161 GLN HG2 H 2.418 0.005 2 1320 161 161 GLN HG3 H 2.408 0.005 2 1321 161 161 GLN CA C 56.950 0.1 1 1322 161 161 GLN CB C 26.125 0.1 1 1323 161 161 GLN CG C 32.889 0.1 1 1324 161 161 GLN N N 122.741 0.1 1 1325 162 162 LEU H H 7.979 0.005 1 1326 162 162 LEU HA H 4.240 0.005 1 1327 162 162 LEU HB2 H 1.558 0.005 1 1328 162 162 LEU HB3 H 1.558 0.005 1 1329 162 162 LEU HG H 1.043 0.005 1 1330 162 162 LEU HD1 H 0.957 0.005 2 1331 162 162 LEU HD2 H 0.914 0.005 2 1332 162 162 LEU CA C 56.591 0.1 1 1333 162 162 LEU CB C 41.027 0.1 1 1334 162 162 LEU CG C 25.019 0.1 1 1335 162 162 LEU CD1 C 22.206 0.1 2 1336 162 162 LEU CD2 C 21.737 0.1 2 1337 162 162 LEU N N 115.304 0.1 1 1338 163 163 ALA H H 7.448 0.005 1 1339 163 163 ALA HA H 4.260 0.005 1 1340 163 163 ALA HB H 1.527 0.005 1 1341 163 163 ALA CA C 56.774 0.1 1 1342 163 163 ALA CB C 15.238 0.1 1 1343 163 163 ALA N N 122.210 0.1 1 1344 164 164 PRO CA C 62.640 0.1 1 1345 164 164 PRO CB C 31.510 0.1 1 1346 164 164 PRO CG C 25.507 0.1 1 1347 164 164 PRO CD C 49.782 0.1 1 1348 165 165 HIS H H 8.060 0.005 1 1349 165 165 HIS CA C 55.970 0.1 1 1350 165 165 HIS CB C 31.055 0.1 1 1351 165 165 HIS N N 120.080 0.1 1 1352 166 166 SER H H 8.050 0.005 1 1353 166 166 SER HA H 4.274 0.005 1 1354 166 166 SER HB2 H 3.840 0.005 2 1355 166 166 SER CA C 61.079 0.1 1 1356 166 166 SER CB C 63.224 0.1 1 1357 166 166 SER N N 116.366 0.1 1 1358 167 167 GLU H H 7.756 0.005 1 1359 167 167 GLU CA C 62.799 0.1 1 1360 167 167 GLU CB C 31.197 0.1 1 1361 167 167 GLU N N 121.678 0.1 1 1362 168 168 GLN H H 8.451 0.005 1 1363 168 168 GLN CA C 55.547 0.1 1 1364 168 168 GLN CB C 28.656 0.1 1 1365 168 168 GLN N N 120.616 0.1 1 1366 170 170 ARG H H 7.971 0.005 1 1367 170 170 ARG CA C 58.152 0.1 1 1368 170 170 ARG CB C 28.889 0.1 1 1369 170 170 ARG CG C 27.186 0.1 1 1370 170 170 ARG CD C 43.119 0.1 1 1371 171 171 GLU H H 7.779 0.005 1 1372 171 171 GLU HA H 4.093 0.005 1 1373 171 171 GLU HB2 H 2.160 0.005 2 1374 171 171 GLU HB3 H 2.153 0.005 2 1375 171 171 GLU HG2 H 2.375 0.005 2 1376 171 171 GLU HG3 H 2.390 0.005 2 1377 171 171 GLU CA C 57.688 0.1 1 1378 171 171 GLU CB C 30.343 0.1 1 1379 171 171 GLU CG C 34.835 0.1 1 1380 171 171 GLU N N 118.226 0.1 1 1381 172 172 SER H H 8.322 0.005 1 1382 172 172 SER HA H 4.211 0.005 1 1383 172 172 SER HB2 H 3.914 0.005 2 1384 172 172 SER HB3 H 3.923 0.005 2 1385 172 172 SER CA C 58.462 0.1 1 1386 172 172 SER CB C 63.321 0.1 1 1387 172 172 SER N N 116.366 0.1 1 1388 173 173 LEU H H 8.259 0.005 1 1389 173 173 LEU HA H 4.221 0.005 1 1390 173 173 LEU HB2 H 1.644 0.005 1 1391 173 173 LEU HB3 H 1.644 0.005 1 1392 173 173 LEU HG H 1.644 0.005 1 1393 173 173 LEU HD1 H 0.871 0.005 2 1394 173 173 LEU CA C 54.687 0.1 1 1395 173 173 LEU CB C 41.285 0.1 1 1396 173 173 LEU CG C 25.956 0.1 1 1397 173 173 LEU CD1 C 22.441 0.1 2 1398 173 173 LEU CD2 C 22.828 0.1 2 1399 173 173 LEU N N 124.866 0.1 1 1400 174 174 ALA H H 8.211 0.005 1 1401 174 174 ALA HA H 4.265 0.005 1 1402 174 174 ALA HB H 1.343 0.005 1 1403 174 174 ALA CA C 52.825 0.1 1 1404 174 174 ALA CB C 17.199 0.1 1 1405 174 174 ALA N N 126.460 0.1 1 1406 175 175 GLN H H 8.449 0.005 1 1407 175 175 GLN HA H 4.092 0.005 1 1408 175 175 GLN HB2 H 2.203 0.005 2 1409 175 175 GLN HB3 H 2.246 0.005 2 1410 175 175 GLN HG2 H 2.418 0.005 2 1411 175 175 GLN HG3 H 2.590 0.005 2 1412 175 175 GLN CA C 58.528 0.1 1 1413 175 175 GLN CB C 27.885 0.1 1 1414 175 175 GLN CG C 32.988 0.1 1 1415 175 175 GLN N N 117.429 0.1 1 1416 176 176 ARG H H 8.057 0.005 1 1417 176 176 ARG HA H 4.221 0.005 1 1418 176 176 ARG HB2 H 2.160 0.005 2 1419 176 176 ARG HB3 H 2.203 0.005 2 1420 176 176 ARG HG2 H 1.601 0.005 1 1421 176 176 ARG HG3 H 1.601 0.005 1 1422 176 176 ARG HD2 H 3.191 0.005 1 1423 176 176 ARG HD3 H 3.191 0.005 1 1424 176 176 ARG CA C 56.928 0.1 1 1425 176 176 ARG CB C 29.105 0.1 1 1426 176 176 ARG CG C 26.425 0.1 1 1427 176 176 ARG CD C 42.363 0.1 1 1428 176 176 ARG N N 119.553 0.1 1 1429 177 177 LEU H H 8.328 0.005 1 1430 177 177 LEU HA H 4.222 0.005 1 1431 177 177 LEU HB2 H 2.031 0.005 1 1432 177 177 LEU HB3 H 2.031 0.005 1 1433 177 177 LEU HG H 1.000 0.005 1 1434 177 177 LEU HD1 H 0.823 0.005 2 1435 177 177 LEU HD2 H 0.873 0.005 2 1436 177 177 LEU CA C 56.799 0.1 1 1437 177 177 LEU CB C 40.634 0.1 1 1438 177 177 LEU CG C 25.956 0.1 1 1439 177 177 LEU CD1 C 21.830 0.1 2 1440 177 177 LEU CD2 C 21.737 0.1 2 1441 177 177 LEU N N 115.835 0.1 1 1442 178 178 ALA H H 8.546 0.005 1 1443 178 178 ALA HA H 3.894 0.005 1 1444 178 178 ALA HB H 1.515 0.005 1 1445 178 178 ALA CA C 53.967 0.1 1 1446 178 178 ALA CB C 18.191 0.1 1 1447 178 178 ALA N N 121.020 0.1 1 1448 179 179 GLU H H 7.681 0.005 1 1449 179 179 GLU HA H 4.141 0.005 1 1450 179 179 GLU HB2 H 2.203 0.005 2 1451 179 179 GLU HB3 H 2.246 0.005 2 1452 179 179 GLU HG2 H 2.675 0.005 1 1453 179 179 GLU HG3 H 2.675 0.005 1 1454 179 179 GLU CA C 56.772 0.1 1 1455 179 179 GLU CB C 28.867 0.1 1 1456 179 179 GLU CG C 35.800 0.1 1 1457 179 179 GLU N N 118.491 0.1 1 1458 180 180 LEU H H 7.977 0.005 1 1459 180 180 LEU HA H 4.265 0.005 1 1460 180 180 LEU HB2 H 1.659 0.005 1 1461 180 180 LEU HB3 H 1.659 0.005 1 1462 180 180 LEU HG H 1.649 0.005 1 1463 180 180 LEU HD1 H 0.828 0.005 2 1464 180 180 LEU HD2 H 0.890 0.005 2 1465 180 180 LEU CA C 55.025 0.1 1 1466 180 180 LEU CB C 41.093 0.1 1 1467 180 180 LEU CG C 25.712 0.1 1 1468 180 180 LEU CD1 C 22.206 0.1 2 1469 180 180 LEU CD2 C 24.139 0.1 2 1470 180 180 LEU N N 122.210 0.1 1 1471 181 181 LYS H H 7.841 0.005 1 1472 181 181 LYS CA C 61.963 0.1 1 1473 181 181 LYS CB C 31.877 0.1 1 1474 182 182 SER H H 8.264 0.005 1 1475 182 182 SER HB2 H 3.860 0.005 2 1476 182 182 SER CA C 57.979 0.1 1 1477 182 182 SER CB C 63.426 0.1 1 1478 182 182 SER N N 119.553 0.1 1 1479 183 183 ASN H H 8.149 0.005 1 1480 183 183 ASN HA H 4.294 0.005 1 1481 183 183 ASN HB2 H 2.992 0.005 2 1482 183 183 ASN HB3 H 3.031 0.005 2 1483 183 183 ASN CA C 55.115 0.1 1 1484 183 183 ASN CB C 37.838 0.1 1 1485 183 183 ASN N N 123.272 0.1 1 1486 184 184 PRO CA C 63.072 0.1 1 1487 184 184 PRO CB C 31.175 0.1 1 1488 184 184 PRO CG C 26.658 0.1 1 1489 184 184 PRO CD C 49.990 0.1 1 1490 185 185 THR H H 8.154 0.005 1 1491 185 185 THR HA H 4.458 0.005 1 1492 185 185 THR HB H 4.222 0.005 1 1493 185 185 THR HG2 H 1.172 0.005 1 1494 185 185 THR CA C 61.340 0.1 1 1495 185 185 THR CB C 69.492 0.1 1 1496 185 185 THR CG2 C 20.800 0.1 1 1497 185 185 THR N N 114.241 0.1 1 1498 186 186 LEU H H 8.446 0.005 1 1499 186 186 LEU CA C 54.632 0.1 1 1500 186 186 LEU CB C 40.819 0.1 1 1501 186 186 LEU CG C 26.401 0.1 1 1502 186 186 LEU CD1 C 24.371 0.1 2 1503 186 186 LEU CD2 C 22.860 0.1 2 1504 186 186 LEU N N 123.272 0.1 1 1505 187 187 ASN H H 8.375 0.005 1 1506 187 187 ASN HA H 4.314 0.005 1 1507 187 187 ASN HB2 H 2.735 0.005 2 1508 187 187 ASN HB3 H 2.715 0.005 2 1509 187 187 ASN CA C 55.308 0.1 1 1510 187 187 ASN CB C 37.882 0.1 1 1511 187 187 ASN N N 119.022 0.1 1 1512 188 188 GLU H H 7.873 0.005 1 1513 188 188 GLU HA H 4.018 0.005 1 1514 188 188 GLU HB2 H 1.975 0.005 2 1515 188 188 GLU HB3 H 1.965 0.005 2 1516 188 188 GLU HG2 H 2.281 0.005 2 1517 188 188 GLU HG3 H 2.271 0.005 2 1518 188 188 GLU CA C 61.570 0.1 1 1519 188 188 GLU CB C 32.089 0.1 1 1520 188 188 GLU CG C 35.111 0.1 1 1521 188 188 GLU N N 123.272 0.1 1 1522 189 189 TYR H H 8.415 0.005 1 1523 189 189 TYR HA H 4.480 0.005 1 1524 189 189 TYR HB2 H 2.762 0.005 2 1525 189 189 TYR HB3 H 2.906 0.005 2 1526 189 189 TYR CA C 59.581 0.1 1 1527 189 189 TYR CB C 38.631 0.1 1 1528 189 189 TYR N N 123.272 0.1 1 1529 190 190 HIS H H 8.422 0.005 1 1530 190 190 HIS CA C 56.659 0.1 1 1531 190 190 HIS CB C 29.202 0.1 1 1532 190 190 HIS N N 124.866 0.1 1 1533 191 191 SER H H 8.261 0.005 1 1534 191 191 SER CA C 58.141 0.1 1 1535 191 191 SER CB C 63.140 0.1 1 1536 191 191 SER N N 117.429 0.1 1 1537 192 192 SER H H 8.009 0.005 1 1538 192 192 SER CA C 59.171 0.1 1 1539 192 192 SER CB C 63.341 0.1 1 1540 192 192 SER N N 124.335 0.1 1 1541 193 193 ALA H H 8.102 0.005 1 1542 193 193 ALA HA H 4.280 0.005 1 1543 193 193 ALA HB H 1.429 0.005 1 1544 193 193 ALA CA C 52.620 0.1 1 1545 193 193 ALA CB C 18.104 0.1 1 1546 193 193 ALA N N 125.928 0.1 1 1547 194 194 LYS H H 7.857 0.005 1 1548 194 194 LYS CA C 56.333 0.1 1 1549 194 194 LYS CB C 32.457 0.1 1 1550 194 194 LYS N N 126.460 0.1 1 1551 195 195 SER H H 8.271 0.005 1 1552 195 195 SER HB2 H 3.922 0.005 2 1553 195 195 SER CA C 58.562 0.1 1 1554 195 195 SER CB C 63.540 0.1 1 1555 195 195 SER N N 117.429 0.1 1 1556 196 196 HIS H H 8.349 0.005 1 1557 196 196 HIS CA C 58.115 0.1 1 1558 196 196 HIS CB C 28.549 0.1 1 1559 197 197 LEU H H 7.689 0.005 1 1560 197 197 LEU CA C 54.544 0.1 1 1561 197 197 LEU CB C 40.037 0.1 1 1562 197 197 LEU CG C 26.000 0.1 1 1563 197 197 LEU CD1 C 24.010 0.1 2 1564 197 197 LEU CD2 C 22.367 0.1 2 1565 197 197 LEU N N 117.429 0.1 1 1566 198 198 LYS H H 7.505 0.005 1 1567 198 198 LYS HA H 4.308 0.005 1 1568 198 198 LYS HB2 H 1.945 0.005 1 1569 198 198 LYS HB3 H 1.945 0.005 1 1570 198 198 LYS HG2 H 2.375 0.005 1 1571 198 198 LYS HG3 H 2.375 0.005 1 1572 198 198 LYS HD2 H 1.687 0.005 1 1573 198 198 LYS HD3 H 1.687 0.005 1 1574 198 198 LYS CA C 57.528 0.1 1 1575 198 198 LYS CB C 31.996 0.1 1 1576 198 198 LYS CG C 32.988 0.1 1 1577 198 198 LYS CD C 28.300 0.1 1 1578 198 198 LYS CE C 25.113 0.1 1 1579 198 198 LYS N N 117.429 0.1 1 1580 199 199 SER H H 7.931 0.005 1 1581 199 199 SER HA H 4.394 0.005 1 1582 199 199 SER HB2 H 3.836 0.005 1 1583 199 199 SER HB3 H 3.836 0.005 1 1584 199 199 SER CA C 61.900 0.1 1 1585 199 199 SER CB C 63.656 0.1 1 1586 199 199 SER N N 114.772 0.1 1 1587 200 200 LEU H H 8.170 0.005 1 1588 200 200 LEU HA H 4.359 0.005 1 1589 200 200 LEU HB2 H 1.644 0.005 2 1590 200 200 LEU HB3 H 1.636 0.005 2 1591 200 200 LEU HG H 1.616 0.005 1 1592 200 200 LEU HD1 H 0.853 0.005 2 1593 200 200 LEU HD2 H 0.804 0.005 2 1594 200 200 LEU CA C 54.915 0.1 1 1595 200 200 LEU CB C 41.138 0.1 1 1596 200 200 LEU CG C 25.943 0.1 1 1597 200 200 LEU CD1 C 23.863 0.1 2 1598 200 200 LEU CD2 C 22.384 0.1 2 1599 200 200 LEU N N 124.335 0.1 1 1600 201 201 GLY H H 8.285 0.005 1 1601 201 201 GLY HA2 H 3.965 0.005 1 1602 201 201 GLY HA3 H 3.965 0.005 1 1603 201 201 GLY CA C 45.308 0.1 1 1604 201 201 GLY N N 109.991 0.1 1 1605 202 202 GLU H H 7.759 0.005 1 1606 202 202 GLU HA H 4.230 0.005 1 1607 202 202 GLU HB2 H 2.359 0.005 2 1608 202 202 GLU HB3 H 2.388 0.005 2 1609 202 202 GLU HG2 H 3.052 0.005 2 1610 202 202 GLU HG3 H 3.042 0.005 2 1611 202 202 GLU CA C 55.332 0.1 1 1612 202 202 GLU CB C 30.417 0.1 1 1613 202 202 GLU CG C 36.024 0.1 1 1614 202 202 GLU N N 126.460 0.1 1 1615 203 203 LYS CA C 56.030 0.1 1 1616 203 203 LYS CB C 31.906 0.1 1 1617 203 203 LYS CG C 24.179 0.1 1 1618 203 203 LYS CD C 28.498 0.1 1 1619 203 203 LYS CE C 41.613 0.1 1 1620 204 204 ALA H H 8.187 0.005 1 1621 204 204 ALA HA H 4.304 0.005 1 1622 204 204 ALA HB H 1.393 0.005 1 1623 204 204 ALA CA C 52.154 0.1 1 1624 204 204 ALA CB C 18.392 0.1 1 1625 204 204 ALA N N 124.866 0.1 1 1626 205 205 ARG H H 8.352 0.005 1 1627 205 205 ARG HA H 4.245 0.005 1 1628 205 205 ARG HB2 H 1.988 0.005 1 1629 205 205 ARG HB3 H 1.988 0.005 1 1630 205 205 ARG HG2 H 1.644 0.005 1 1631 205 205 ARG HG3 H 1.644 0.005 1 1632 205 205 ARG HD2 H 3.191 0.005 1 1633 205 205 ARG HD3 H 3.191 0.005 1 1634 205 205 ARG CA C 56.384 0.1 1 1635 205 205 ARG CB C 29.193 0.1 1 1636 205 205 ARG CG C 25.956 0.1 1 1637 205 205 ARG CD C 42.363 0.1 1 1638 205 205 ARG N N 121.147 0.1 1 1639 206 206 PRO CA C 62.481 0.1 1 1640 206 206 PRO CB C 31.057 0.1 1 1641 206 206 PRO CG C 26.742 0.1 1 1642 206 206 PRO CD C 50.046 0.1 1 1643 207 207 ALA H H 8.401 0.005 1 1644 207 207 ALA HA H 4.308 0.005 1 1645 207 207 ALA HB H 1.386 0.005 1 1646 207 207 ALA CA C 52.020 0.1 1 1647 207 207 ALA CB C 18.166 0.1 1 1648 207 207 ALA N N 124.866 0.1 1 1649 208 208 LEU H H 8.182 0.005 1 1650 208 208 LEU HA H 4.265 0.005 1 1651 208 208 LEU HB2 H 1.644 0.005 2 1652 208 208 LEU HB3 H 1.626 0.005 2 1653 208 208 LEU HG H 1.644 0.005 1 1654 208 208 LEU HD1 H 0.873 0.005 2 1655 208 208 LEU HD2 H 0.853 0.005 2 1656 208 208 LEU CA C 55.133 0.1 1 1657 208 208 LEU CB C 41.007 0.1 1 1658 208 208 LEU CG C 25.956 0.1 1 1659 208 208 LEU CD1 C 23.956 0.1 2 1660 208 208 LEU CD2 C 22.246 0.1 2 1661 208 208 LEU N N 121.678 0.1 1 1662 209 209 GLU H H 8.387 0.005 1 1663 209 209 GLU HA H 4.221 0.005 1 1664 209 209 GLU HB2 H 1.972 0.005 2 1665 209 209 GLU HB3 H 1.982 0.005 2 1666 209 209 GLU HG2 H 2.246 0.005 2 1667 209 209 GLU HG3 H 2.210 0.005 2 1668 209 209 GLU CA C 56.477 0.1 1 1669 209 209 GLU CB C 29.252 0.1 1 1670 209 209 GLU CG C 35.354 0.1 1 1671 209 209 GLU N N 120.616 0.1 1 1672 210 210 ASP H H 8.387 0.005 1 1673 210 210 ASP HA H 4.344 0.005 1 1674 210 210 ASP HB2 H 2.718 0.005 1 1675 210 210 ASP HB3 H 2.718 0.005 1 1676 210 210 ASP CA C 55.039 0.1 1 1677 210 210 ASP CB C 37.107 0.1 1 1678 210 210 ASP N N 121.147 0.1 1 1679 211 211 LEU H H 8.642 0.005 1 1680 211 211 LEU HB2 H 1.773 0.005 2 1681 211 211 LEU HD1 H 1.343 0.005 2 1682 211 211 LEU CA C 55.790 0.1 1 1683 211 211 LEU CB C 40.139 0.1 1 1684 211 211 LEU CG C 26.304 0.1 1 1685 211 211 LEU CD1 C 24.081 0.1 2 1686 211 211 LEU CD2 C 23.070 0.1 2 1687 211 211 LEU N N 122.210 0.1 1 1688 212 212 ARG H H 7.908 0.005 1 1689 212 212 ARG CA C 61.940 0.1 1 1690 212 212 ARG CB C 37.401 0.1 1 1691 212 212 ARG N N 119.553 0.1 1 1692 213 213 HIS CA C 56.177 0.1 1 1693 213 213 HIS CB C 31.884 0.1 1 1694 214 214 SER H H 8.170 0.005 1 1695 214 214 SER HA H 4.265 0.005 1 1696 214 214 SER HB2 H 3.879 0.005 1 1697 214 214 SER HB3 H 3.879 0.005 1 1698 214 214 SER CA C 58.203 0.1 1 1699 214 214 SER CB C 63.527 0.1 1 1700 214 214 SER N N 116.366 0.1 1 1701 215 215 LEU H H 7.894 0.005 1 1702 215 215 LEU HA H 4.438 0.005 1 1703 215 215 LEU HB2 H 1.546 0.005 2 1704 215 215 LEU HB3 H 1.556 0.005 2 1705 215 215 LEU CA C 55.629 0.1 1 1706 215 215 LEU CB C 41.673 0.1 1 1707 215 215 LEU CG C 26.398 0.1 1 1708 215 215 LEU CD1 C 24.510 0.1 2 1709 215 215 LEU CD2 C 22.827 0.1 2 1710 215 215 LEU N N 130.178 0.1 1 1711 216 216 MET H H 7.799 0.005 1 1712 216 216 MET HA H 4.330 0.005 1 1713 216 216 MET HB2 H 1.962 0.005 2 1714 216 216 MET HB3 H 1.953 0.005 2 1715 216 216 MET HG2 H 2.504 0.005 2 1716 216 216 MET HG3 H 2.507 0.005 2 1717 216 216 MET CA C 56.610 0.1 1 1718 216 216 MET CB C 33.095 0.1 1 1719 216 216 MET CG C 31.142 0.1 1 1720 216 216 MET N N 125.928 0.1 1 stop_ save_