data_17717 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Monomeric Mouse ApoAI(1-216) ; _BMRB_accession_number 17717 _BMRB_flat_file_name bmr17717.str _Entry_type original _Submission_date 2011-06-17 _Accession_date 2011-06-17 _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 Chen Jianglei . . 2 Wang Jianjun . . 3 Yang Yunhuang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1167 "13C chemical shifts" 660 "15N chemical shifts" 230 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-12-17 original author . stop_ _Original_release_date 2012-12-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of Mouse ApoAI(1-216)' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Jianglei . . 2 Yang Yunhuang . . 3 Wang Jianjun . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NMR Structure of Mouse ApoAI(1-216)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NMR Structure of Mouse ApoAI(1-216)' $apaAOI stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apaAOI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 25264.260 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 216 _Mol_residue_sequence ; DEPQSQWDKVKDFANVYVDA VKDSGRDYVSQFESSSLGQQ LNLNLLENWDTLGSTVSQLQ ERLGPLTRDFWDNLEKETDW VRQEMNKDLEEVKQKVQPYL DEFQKKWKEDVELYRQKASP QGAELQESARQKLQELQGRL SPVAEEFRDRMRTHVDSLRT QLAPHSEQMRESLAQRLAEL KSNPTLNEYHSSAKSHLKSL GEKARPALEDLRHSLM ; 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 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 15091 apoprotein_AI 100.00 240 100.00 100.00 4.37e-154 PDB 2LEM "Monomeric Mouse Apoai(1-216)" 100.00 216 100.00 100.00 1.36e-153 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apaAOI mouse 10090 Eukaryota Metazoa Mus musculus 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 $apaAOI 'recombinant technology' . Escherichia coli . pET30(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N_labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apaAOI ~1.0 mM '[U-100% 13C; U-100% 15N]' DSS 0.03 mM 'natural abundance' 'sodium azide' 0.01 mM 'natural abundance' EDTA 10 mM '[U-100% 2H]' 'sodium phosphate' 25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_Triple_labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apaAOI ~1.0 mM '[U-13C; U-15N; U-2H]' DSS 0.03 mM 'natural abundance' 'sodium azide' 0.01 mM 'natural abundance' EDTA 10 mM '[U-100% 2H]' 'sodium phosphate' 25 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ save_InsightII _Saveframe_category software _Name InsightII _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13C15N_labeled save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Triple_labeled save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Triple_labeled save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Triple_labeled save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $Triple_labeled save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $13C15N_labeled save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C15N_labeled save_ save_3D_CCC-TOCSY-NNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCC-TOCSY-NNH' _Sample_label $13C15N_labeled save_ save_4D_13C15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C15N NOESY' _Sample_label $13C15N_labeled save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH pressure 1 . atm temperature 273 . 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 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(COCA)CB' '3D HCCH-TOCSY' '3D CCC-TOCSY-NNH' '4D 13C15N NOESY' stop_ loop_ _Sample_label $13C15N_labeled $Triple_labeled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NMR Structure of Mouse ApoAI(1-216)' _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 HA H 4.609 0.02 1 2 1 1 ASP HB2 H 2.976 0.02 2 3 1 1 ASP HB3 H 2.804 0.02 2 4 1 1 ASP H H 8.325 0.02 1 5 1 1 ASP CA C 53.000 0.5 1 6 1 1 ASP CB C 40.600 0.5 1 7 1 1 ASP N N 120.085 0.5 1 8 2 2 GLU H H 8.276 0.02 1 9 2 2 GLU HA H 4.488 0.02 1 10 2 2 GLU HB2 H 2.117 0.02 2 11 2 2 GLU HB3 H 1.890 0.02 2 12 2 2 GLU HG2 H 2.289 0.02 2 13 2 2 GLU HG3 H 2.289 0.02 2 14 2 2 GLU CA C 56.418 0.5 1 15 2 2 GLU CB C 29.014 0.5 1 16 2 2 GLU CG C 35.331 0.5 1 17 2 2 GLU N N 121.678 0.5 1 18 3 3 PRO CA C 62.923 0.5 1 19 3 3 PRO CB C 31.547 0.5 1 20 3 3 PRO CG C 26.783 0.5 1 21 3 3 PRO CD C 50.117 0.5 1 22 4 4 GLN H H 8.500 0.02 1 23 4 4 GLN HA H 4.349 0.02 1 24 4 4 GLN HB2 H 2.100 0.02 2 25 4 4 GLN HB3 H 1.987 0.02 2 26 4 4 GLN HG2 H 2.418 0.02 2 27 4 4 GLN HG3 H 2.418 0.02 2 28 4 4 GLN CA C 55.450 0.5 1 29 4 4 GLN CB C 28.854 0.5 1 30 4 4 GLN CG C 33.421 0.5 1 31 4 4 GLN N N 121.147 0.5 1 32 5 5 SER H H 8.370 0.02 1 33 5 5 SER HA H 4.329 0.02 1 34 5 5 SER HB2 H 4.116 0.02 2 35 5 5 SER HB3 H 4.097 0.02 2 36 5 5 SER CA C 58.100 0.5 1 37 5 5 SER CB C 63.485 0.5 1 38 5 5 SER N N 117.429 0.5 1 39 6 6 GLN H H 8.620 0.02 1 40 6 6 GLN HB2 H 2.070 0.02 2 41 6 6 GLN HB3 H 2.030 0.02 2 42 6 6 GLN HG2 H 2.760 0.02 2 43 6 6 GLN HG3 H 2.720 0.02 2 44 6 6 GLN HE21 H 6.630 0.02 2 45 6 6 GLN HE22 H 6.840 0.02 2 46 6 6 GLN CA C 56.330 0.5 1 47 6 6 GLN CB C 28.800 0.5 1 48 6 6 GLN CG C 31.113 0.5 1 49 6 6 GLN N N 123.803 0.5 1 50 6 6 GLN NE2 N 111.858 0.5 1 51 7 7 TRP H H 7.970 0.02 1 52 7 7 TRP HA H 4.394 0.02 1 53 7 7 TRP HB2 H 3.449 0.02 2 54 7 7 TRP HB3 H 3.150 0.02 2 55 7 7 TRP HD1 H 7.500 0.02 1 56 7 7 TRP HE1 H 10.600 0.02 1 57 7 7 TRP HE3 H 7.950 0.02 1 58 7 7 TRP HZ2 H 7.830 0.02 1 59 7 7 TRP HZ3 H 7.200 0.02 1 60 7 7 TRP HH2 H 7.350 0.02 1 61 7 7 TRP CA C 59.800 0.5 1 62 7 7 TRP CB C 27.800 0.5 1 63 7 7 TRP N N 119.022 0.5 1 64 7 7 TRP NE1 N 130.820 0.5 1 65 8 8 ASP H H 8.440 0.02 1 66 8 8 ASP HA H 4.409 0.02 1 67 8 8 ASP HB2 H 2.760 0.02 2 68 8 8 ASP HB3 H 2.720 0.02 2 69 8 8 ASP CA C 56.912 0.5 1 70 8 8 ASP CB C 38.400 0.5 1 71 8 8 ASP N N 121.678 0.5 1 72 9 9 LYS H H 7.830 0.02 1 73 9 9 LYS HA H 4.090 0.02 1 74 9 9 LYS HB2 H 1.990 0.02 2 75 9 9 LYS HB3 H 1.770 0.02 2 76 9 9 LYS HG2 H 1.300 0.02 2 77 9 9 LYS HG3 H 1.470 0.02 2 78 9 9 LYS HD2 H 2.120 0.02 2 79 9 9 LYS HD3 H 1.990 0.02 2 80 9 9 LYS HE2 H 3.020 0.02 2 81 9 9 LYS HE3 H 2.970 0.02 2 82 9 9 LYS CA C 58.277 0.5 1 83 9 9 LYS CB C 31.550 0.5 1 84 9 9 LYS CG C 23.620 0.5 1 85 9 9 LYS CD C 28.100 0.5 1 86 9 9 LYS CE C 41.500 0.5 1 87 9 9 LYS N N 120.616 0.5 1 88 10 10 VAL H H 7.160 0.02 1 89 10 10 VAL HA H 3.830 0.02 1 90 10 10 VAL HB H 2.160 0.02 1 91 10 10 VAL HG1 H 1.170 0.02 2 92 10 10 VAL HG2 H 1.040 0.02 2 93 10 10 VAL CA C 65.630 0.5 1 94 10 10 VAL CB C 31.300 0.5 1 95 10 10 VAL CG1 C 22.200 0.5 2 96 10 10 VAL CG2 C 22.200 0.5 2 97 10 10 VAL N N 118.491 0.5 1 98 11 11 LYS H H 8.660 0.02 1 99 11 11 LYS HA H 3.880 0.02 1 100 11 11 LYS HB2 H 1.900 0.02 2 101 11 11 LYS HB3 H 1.770 0.02 2 102 11 11 LYS HG2 H 1.520 0.02 2 103 11 11 LYS HG3 H 1.300 0.02 2 104 11 11 LYS HD2 H 1.860 0.02 2 105 11 11 LYS HD3 H 1.730 0.02 2 106 11 11 LYS HE2 H 2.718 0.02 2 107 11 11 LYS HE3 H 2.890 0.02 2 108 11 11 LYS CA C 59.460 0.5 1 109 11 11 LYS CB C 31.200 0.5 1 110 11 11 LYS CG C 24.300 0.5 1 111 11 11 LYS CD C 28.400 0.5 1 112 11 11 LYS CE C 39.800 0.5 1 113 11 11 LYS N N 122.210 0.5 1 114 12 12 ASP H H 7.790 0.02 1 115 12 12 ASP HA H 4.140 0.02 1 116 12 12 ASP HB2 H 2.850 0.02 2 117 12 12 ASP HB3 H 2.720 0.02 2 118 12 12 ASP CA C 57.381 0.5 1 119 12 12 ASP CB C 39.800 0.5 1 120 12 12 ASP N N 119.553 0.5 1 121 13 13 PHE H H 7.680 0.02 1 122 13 13 PHE HA H 4.690 0.02 1 123 13 13 PHE HB2 H 3.534 0.02 2 124 13 13 PHE HB3 H 3.279 0.02 2 125 13 13 PHE HD1 H 7.160 0.02 3 126 13 13 PHE HD2 H 7.080 0.02 3 127 13 13 PHE HE1 H 7.280 0.02 1 128 13 13 PHE HZ H 7.170 0.02 1 129 13 13 PHE CA C 58.662 0.5 1 130 13 13 PHE CB C 38.700 0.5 1 131 13 13 PHE N N 116.500 0.5 1 132 14 14 ALA H H 8.760 0.02 1 133 14 14 ALA HA H 4.008 0.02 1 134 14 14 ALA HB H 1.558 0.02 1 135 14 14 ALA CA C 54.550 0.5 1 136 14 14 ALA CB C 17.250 0.5 1 137 14 14 ALA N N 122.209 0.5 1 138 15 15 ASN H H 8.930 0.02 1 139 15 15 ASN HA H 4.520 0.02 1 140 15 15 ASN HB2 H 2.970 0.02 2 141 15 15 ASN HB3 H 2.760 0.02 2 142 15 15 ASN HD21 H 6.800 0.02 2 143 15 15 ASN HD22 H 7.830 0.02 2 144 15 15 ASN CA C 56.084 0.5 1 145 15 15 ASN CB C 38.544 0.5 1 146 15 15 ASN N N 119.553 0.5 1 147 15 15 ASN ND2 N 111.860 0.5 1 148 16 16 VAL H H 7.870 0.02 1 149 16 16 VAL HA H 3.590 0.02 1 150 16 16 VAL HB H 1.515 0.02 1 151 16 16 VAL HG1 H 0.828 0.02 2 152 16 16 VAL HG2 H 0.183 0.02 2 153 16 16 VAL CA C 64.600 0.5 1 154 16 16 VAL CB C 31.800 0.5 1 155 16 16 VAL CG1 C 21.000 0.5 2 156 16 16 VAL CG2 C 19.400 0.5 2 157 16 16 VAL N N 116.897 0.5 1 158 17 17 TYR H H 8.000 0.02 1 159 17 17 TYR HA H 4.751 0.02 1 160 17 17 TYR HB2 H 3.105 0.02 2 161 17 17 TYR HB3 H 2.802 0.02 2 162 17 17 TYR HD1 H 7.240 0.02 3 163 17 17 TYR HD2 H 7.120 0.02 3 164 17 17 TYR HE1 H 6.840 0.02 3 165 17 17 TYR HE2 H 6.790 0.02 3 166 17 17 TYR CA C 59.040 0.5 1 167 17 17 TYR CB C 39.060 0.5 1 168 17 17 TYR N N 112.116 0.5 1 169 18 18 VAL H H 7.600 0.02 1 170 18 18 VAL HA H 4.220 0.02 1 171 18 18 VAL HB H 2.590 0.02 1 172 18 18 VAL HG1 H 0.960 0.02 2 173 18 18 VAL HG2 H 0.870 0.02 2 174 18 18 VAL CA C 63.520 0.5 1 175 18 18 VAL CB C 31.128 0.5 1 176 18 18 VAL CG1 C 21.000 0.5 2 177 18 18 VAL CG2 C 20.800 0.5 2 178 18 18 VAL N N 114.241 0.5 1 179 19 19 ASP H H 8.890 0.02 1 180 19 19 ASP HA H 4.523 0.02 1 181 19 19 ASP HB2 H 2.717 0.02 2 182 19 19 ASP HB3 H 2.675 0.02 2 183 19 19 ASP CA C 56.445 0.5 1 184 19 19 ASP CB C 38.700 0.5 1 185 19 19 ASP N N 123.272 0.5 1 186 20 20 ALA H H 6.630 0.02 1 187 20 20 ALA HA H 4.230 0.02 1 188 20 20 ALA HB H 1.446 0.02 1 189 20 20 ALA CA C 54.100 0.5 1 190 20 20 ALA CB C 18.760 0.5 1 191 20 20 ALA N N 118.491 0.5 1 192 21 21 VAL H H 7.410 0.02 1 193 21 21 VAL HA H 3.664 0.02 1 194 21 21 VAL HB H 2.222 0.02 1 195 21 21 VAL HG1 H 1.165 0.02 2 196 21 21 VAL HG2 H 0.973 0.02 2 197 21 21 VAL CA C 66.200 0.5 1 198 21 21 VAL CB C 30.460 0.5 1 199 21 21 VAL CG1 C 21.230 0.5 2 200 21 21 VAL CG2 C 21.270 0.5 2 201 21 21 VAL N N 116.897 0.5 1 202 22 22 LYS H H 8.180 0.02 1 203 22 22 LYS HA H 4.222 0.02 1 204 22 22 LYS HB2 H 2.074 0.02 2 205 22 22 LYS HB3 H 1.816 0.02 2 206 22 22 LYS HG2 H 1.470 0.02 2 207 22 22 LYS HG3 H 1.380 0.02 2 208 22 22 LYS HD2 H 1.644 0.02 2 209 22 22 LYS HD3 H 1.644 0.02 2 210 22 22 LYS HE2 H 2.799 0.02 2 211 22 22 LYS HE3 H 2.576 0.02 2 212 22 22 LYS CA C 59.300 0.5 1 213 22 22 LYS CB C 31.100 0.5 1 214 22 22 LYS CG C 24.100 0.5 1 215 22 22 LYS CD C 27.362 0.5 1 216 22 22 LYS CE C 40.500 0.5 1 217 22 22 LYS N N 121.147 0.5 1 218 23 23 ASP H H 8.860 0.02 1 219 23 23 ASP HA H 4.566 0.02 1 220 23 23 ASP HB2 H 2.761 0.02 2 221 23 23 ASP HB3 H 2.674 0.02 2 222 23 23 ASP CA C 56.300 0.5 1 223 23 23 ASP CB C 38.800 0.5 1 224 23 23 ASP N N 121.278 0.5 1 225 24 24 SER H H 7.950 0.02 1 226 24 24 SER HA H 4.132 0.02 1 227 24 24 SER HB2 H 3.863 0.02 2 228 24 24 SER HB3 H 3.745 0.02 2 229 24 24 SER CA C 61.600 0.5 1 230 24 24 SER CB C 62.442 0.5 1 231 24 24 SER N N 118.491 0.5 1 232 25 25 GLY H H 7.560 0.02 1 233 25 25 GLY HA2 H 4.006 0.02 2 234 25 25 GLY HA3 H 3.954 0.02 2 235 25 25 GLY CA C 44.400 0.5 1 236 25 25 GLY N N 108.377 0.5 1 237 26 26 ARG H H 8.200 0.02 1 238 26 26 ARG HA H 4.303 0.02 1 239 26 26 ARG HB2 H 2.290 0.02 2 240 26 26 ARG HB3 H 2.070 0.02 2 241 26 26 ARG HG2 H 1.688 0.02 2 242 26 26 ARG HG3 H 1.601 0.02 2 243 26 26 ARG HD2 H 2.680 0.02 2 244 26 26 ARG HD3 H 2.590 0.02 2 245 26 26 ARG CA C 54.000 0.5 1 246 26 26 ARG CB C 28.240 0.5 1 247 26 26 ARG CG C 26.100 0.5 1 248 26 26 ARG CD C 40.200 0.5 1 249 26 26 ARG N N 124.240 0.5 1 250 27 27 ASP H H 7.880 0.02 1 251 27 27 ASP HA H 4.211 0.02 1 252 27 27 ASP HB2 H 2.760 0.02 2 253 27 27 ASP HB3 H 2.520 0.02 2 254 27 27 ASP CA C 58.380 0.5 1 255 27 27 ASP CB C 40.400 0.5 1 256 27 27 ASP N N 121.678 0.5 1 257 28 28 TYR H H 8.020 0.02 1 258 28 28 TYR HA H 4.480 0.02 1 259 28 28 TYR HB2 H 3.110 0.02 2 260 28 28 TYR HB3 H 2.909 0.02 2 261 28 28 TYR HD1 H 7.020 0.02 3 262 28 28 TYR HD2 H 7.180 0.02 3 263 28 28 TYR HE1 H 6.790 0.02 3 264 28 28 TYR HE2 H 6.930 0.02 3 265 28 28 TYR CA C 57.800 0.5 1 266 28 28 TYR CB C 38.322 0.5 1 267 28 28 TYR N N 121.440 0.5 1 268 29 29 VAL H H 8.280 0.02 1 269 29 29 VAL HA H 4.040 0.02 1 270 29 29 VAL HB H 1.850 0.02 1 271 29 29 VAL HG1 H 0.699 0.02 2 272 29 29 VAL HG2 H 0.785 0.02 2 273 29 29 VAL CA C 66.400 0.5 1 274 29 29 VAL CB C 30.500 0.5 1 275 29 29 VAL CG1 C 22.200 0.5 2 276 29 29 VAL CG2 C 22.200 0.5 2 277 29 29 VAL N N 123.272 0.5 1 278 30 30 SER H H 8.930 0.02 1 279 30 30 SER HA H 4.000 0.02 1 280 30 30 SER HB2 H 4.010 0.02 2 281 30 30 SER HB3 H 3.920 0.02 2 282 30 30 SER CA C 61.070 0.5 1 283 30 30 SER CB C 62.000 0.5 1 284 30 30 SER N N 117.429 0.5 1 285 31 31 GLN H H 7.740 0.02 1 286 31 31 GLN HA H 4.136 0.02 1 287 31 31 GLN HB2 H 2.331 0.02 2 288 31 31 GLN HB3 H 2.246 0.02 2 289 31 31 GLN HG2 H 2.676 0.02 2 290 31 31 GLN HG3 H 2.462 0.02 2 291 31 31 GLN HE21 H 6.640 0.02 2 292 31 31 GLN HE22 H 7.170 0.02 2 293 31 31 GLN CA C 58.210 0.5 1 294 31 31 GLN CB C 27.600 0.5 1 295 31 31 GLN CG C 33.000 0.5 1 296 31 31 GLN N N 121.147 0.5 1 297 31 31 GLN NE2 N 111.317 0.5 1 298 32 32 PHE H H 7.200 0.02 1 299 32 32 PHE HA H 4.020 0.02 1 300 32 32 PHE HB2 H 2.114 0.02 2 301 32 32 PHE HB3 H 2.072 0.02 2 302 32 32 PHE HD1 H 6.310 0.02 3 303 32 32 PHE HD2 H 6.450 0.02 3 304 32 32 PHE HE1 H 6.650 0.02 1 305 32 32 PHE HZ H 6.520 0.02 1 306 32 32 PHE CA C 60.600 0.5 1 307 32 32 PHE CB C 36.896 0.5 1 308 32 32 PHE N N 117.429 0.5 1 309 33 33 GLU H H 8.160 0.02 1 310 33 33 GLU HA H 4.769 0.02 1 311 33 33 GLU HB2 H 2.071 0.02 2 312 33 33 GLU HB3 H 1.899 0.02 2 313 33 33 GLU HG2 H 2.372 0.02 2 314 33 33 GLU HG3 H 2.205 0.02 2 315 33 33 GLU CA C 59.220 0.5 1 316 33 33 GLU CB C 29.240 0.5 1 317 33 33 GLU CG C 35.400 0.5 1 318 33 33 GLU N N 122.210 0.5 1 319 34 34 SER H H 7.890 0.02 1 320 34 34 SER HA H 4.309 0.02 1 321 34 34 SER HB2 H 3.949 0.02 2 322 34 34 SER HB3 H 3.835 0.02 2 323 34 34 SER CA C 58.240 0.5 1 324 34 34 SER CB C 63.260 0.5 1 325 34 34 SER N N 109.991 0.5 1 326 35 35 SER H H 7.420 0.02 1 327 35 35 SER HA H 4.354 0.02 1 328 35 35 SER HB2 H 4.361 0.02 2 329 35 35 SER HB3 H 4.222 0.02 2 330 35 35 SER CA C 58.100 0.5 1 331 35 35 SER CB C 64.398 0.5 1 332 35 35 SER N N 120.085 0.5 1 333 36 36 SER H H 8.100 0.02 1 334 36 36 SER HA H 4.350 0.02 1 335 36 36 SER HB2 H 3.920 0.02 2 336 36 36 SER HB3 H 3.840 0.02 2 337 36 36 SER CA C 58.600 0.5 1 338 36 36 SER CB C 63.370 0.5 1 339 36 36 SER N N 116.130 0.5 1 340 37 37 LEU H H 8.290 0.02 1 341 37 37 LEU HA H 4.222 0.02 1 342 37 37 LEU HB2 H 1.636 0.02 2 343 37 37 LEU HB3 H 1.596 0.02 2 344 37 37 LEU HG H 1.665 0.02 1 345 37 37 LEU HD1 H 0.957 0.02 2 346 37 37 LEU HD2 H 0.912 0.02 2 347 37 37 LEU CA C 56.400 0.5 1 348 37 37 LEU CB C 41.200 0.5 1 349 37 37 LEU CG C 25.750 0.5 1 350 37 37 LEU CD1 C 23.196 0.5 2 351 37 37 LEU CD2 C 23.177 0.5 2 352 37 37 LEU N N 121.678 0.5 1 353 38 38 GLY H H 7.280 0.02 1 354 38 38 GLY HA2 H 3.492 0.02 2 355 38 38 GLY HA3 H 3.233 0.02 2 356 38 38 GLY CA C 46.220 0.5 1 357 38 38 GLY N N 108.400 0.5 1 358 39 39 GLN H H 8.360 0.02 1 359 39 39 GLN HA H 4.092 0.02 1 360 39 39 GLN HB2 H 2.120 0.02 2 361 39 39 GLN HB3 H 2.000 0.02 2 362 39 39 GLN HG2 H 2.550 0.02 2 363 39 39 GLN HG3 H 2.380 0.02 2 364 39 39 GLN HE21 H 6.730 0.02 2 365 39 39 GLN HE22 H 7.340 0.02 2 366 39 39 GLN CA C 57.423 0.5 1 367 39 39 GLN CB C 28.847 0.5 1 368 39 39 GLN CG C 33.300 0.5 1 369 39 39 GLN N N 120.920 0.5 1 370 39 39 GLN NE2 N 111.317 0.5 1 371 40 40 GLN H H 7.630 0.02 1 372 40 40 GLN HA H 4.040 0.02 1 373 40 40 GLN HB2 H 2.200 0.02 2 374 40 40 GLN HB3 H 2.076 0.02 2 375 40 40 GLN HG2 H 2.546 0.02 2 376 40 40 GLN HG3 H 2.332 0.02 2 377 40 40 GLN HE21 H 6.830 0.02 2 378 40 40 GLN HE22 H 7.380 0.02 2 379 40 40 GLN CA C 57.471 0.5 1 380 40 40 GLN CB C 28.777 0.5 1 381 40 40 GLN CG C 33.440 0.5 1 382 40 40 GLN N N 118.648 0.5 1 383 40 40 GLN NE2 N 112.942 0.5 1 384 41 41 LEU H H 8.010 0.02 1 385 41 41 LEU HA H 4.222 0.02 1 386 41 41 LEU HB2 H 1.819 0.02 2 387 41 41 LEU HB3 H 1.516 0.02 2 388 41 41 LEU HG H 1.427 0.02 1 389 41 41 LEU HD1 H 1.092 0.02 2 390 41 41 LEU HD2 H 0.811 0.02 2 391 41 41 LEU CA C 55.400 0.5 1 392 41 41 LEU CB C 41.754 0.5 1 393 41 41 LEU CG C 26.300 0.5 1 394 41 41 LEU CD1 C 24.579 0.5 2 395 41 41 LEU CD2 C 22.692 0.5 2 396 41 41 LEU N N 116.800 0.5 1 397 42 42 ASN H H 7.840 0.02 1 398 42 42 ASN HA H 4.485 0.02 1 399 42 42 ASN HB2 H 3.048 0.02 2 400 42 42 ASN HB3 H 2.459 0.02 2 401 42 42 ASN HD21 H 6.660 0.02 2 402 42 42 ASN HD22 H 6.810 0.02 2 403 42 42 ASN CA C 53.500 0.5 1 404 42 42 ASN CB C 37.000 0.5 1 405 42 42 ASN N N 115.840 0.5 1 406 42 42 ASN ND2 N 111.678 0.5 1 407 43 43 LEU H H 9.670 0.02 1 408 43 43 LEU HA H 4.480 0.02 1 409 43 43 LEU HB2 H 1.820 0.02 2 410 43 43 LEU HB3 H 1.386 0.02 2 411 43 43 LEU HG H 0.999 0.02 1 412 43 43 LEU HD1 H 0.871 0.02 2 413 43 43 LEU HD2 H 0.802 0.02 2 414 43 43 LEU CA C 55.502 0.5 1 415 43 43 LEU CB C 41.200 0.5 1 416 43 43 LEU CG C 25.600 0.5 1 417 43 43 LEU CD1 C 22.200 0.5 2 418 43 43 LEU CD2 C 21.293 0.5 2 419 43 43 LEU N N 118.490 0.5 1 420 44 44 ASN H H 8.950 0.02 1 421 44 44 ASN HA H 4.520 0.02 1 422 44 44 ASN HB2 H 2.849 0.02 2 423 44 44 ASN HB3 H 2.717 0.02 2 424 44 44 ASN HD21 H 6.820 0.02 2 425 44 44 ASN HD22 H 7.840 0.02 2 426 44 44 ASN CA C 52.770 0.5 1 427 44 44 ASN CB C 36.200 0.5 1 428 44 44 ASN N N 119.553 0.5 1 429 44 44 ASN ND2 N 111.317 0.5 1 430 45 45 LEU H H 8.970 0.02 1 431 45 45 LEU HA H 4.048 0.02 1 432 45 45 LEU HB2 H 1.601 0.02 2 433 45 45 LEU HB3 H 1.430 0.02 2 434 45 45 LEU HG H 1.520 0.02 1 435 45 45 LEU HD1 H 0.809 0.02 2 436 45 45 LEU HD2 H 0.741 0.02 2 437 45 45 LEU CA C 55.569 0.5 1 438 45 45 LEU CB C 41.250 0.5 1 439 45 45 LEU CG C 26.523 0.5 1 440 45 45 LEU CD1 C 21.614 0.5 2 441 45 45 LEU CD2 C 24.419 0.5 2 442 45 45 LEU N N 119.553 0.5 1 443 46 46 LEU H H 8.450 0.02 1 444 46 46 LEU HA H 4.351 0.02 1 445 46 46 LEU HB2 H 1.871 0.02 2 446 46 46 LEU HB3 H 1.715 0.02 2 447 46 46 LEU HG H 1.644 0.02 1 448 46 46 LEU HD1 H 0.912 0.02 2 449 46 46 LEU HD2 H 0.740 0.02 2 450 46 46 LEU CA C 54.684 0.5 1 451 46 46 LEU CB C 39.800 0.5 1 452 46 46 LEU CG C 26.239 0.5 1 453 46 46 LEU CD1 C 22.413 0.5 2 454 46 46 LEU CD2 C 24.523 0.5 2 455 46 46 LEU N N 116.900 0.5 1 456 47 47 GLU H H 7.490 0.02 1 457 47 47 GLU HA H 4.018 0.02 1 458 47 47 GLU HB2 H 2.119 0.02 2 459 47 47 GLU HB3 H 1.946 0.02 2 460 47 47 GLU HG2 H 2.288 0.02 2 461 47 47 GLU HG3 H 2.171 0.02 2 462 47 47 GLU CA C 58.280 0.5 1 463 47 47 GLU CB C 28.800 0.5 1 464 47 47 GLU CG C 34.860 0.5 1 465 47 47 GLU N N 122.741 0.5 1 466 48 48 ASN H H 8.450 0.02 1 467 48 48 ASN HA H 4.300 0.02 1 468 48 48 ASN HB2 H 2.850 0.02 2 469 48 48 ASN HB3 H 2.820 0.02 2 470 48 48 ASN HD21 H 6.650 0.02 2 471 48 48 ASN HD22 H 7.390 0.02 2 472 48 48 ASN CA C 53.550 0.5 1 473 48 48 ASN CB C 38.490 0.5 1 474 48 48 ASN N N 117.200 0.5 1 475 48 48 ASN ND2 N 111.858 0.5 1 476 49 49 TRP H H 8.050 0.02 1 477 49 49 TRP HA H 4.300 0.02 1 478 49 49 TRP HB2 H 3.490 0.02 2 479 49 49 TRP HB3 H 3.280 0.02 2 480 49 49 TRP HD1 H 7.078 0.02 1 481 49 49 TRP HE1 H 10.030 0.02 1 482 49 49 TRP HE3 H 7.370 0.02 1 483 49 49 TRP HZ2 H 7.219 0.02 1 484 49 49 TRP HZ3 H 6.568 0.02 1 485 49 49 TRP HH2 H 6.688 0.02 1 486 49 49 TRP CA C 56.200 0.5 1 487 49 49 TRP CB C 27.800 0.5 1 488 49 49 TRP N N 119.320 0.5 1 489 49 49 TRP NE1 N 129.192 0.5 1 490 50 50 ASP H H 8.470 0.02 1 491 50 50 ASP HA H 4.690 0.02 1 492 50 50 ASP HB2 H 2.847 0.02 2 493 50 50 ASP HB3 H 2.675 0.02 2 494 50 50 ASP CA C 54.180 0.5 1 495 50 50 ASP CB C 40.318 0.5 1 496 50 50 ASP N N 124.860 0.5 1 497 51 51 THR H H 7.920 0.02 1 498 51 51 THR HA H 4.250 0.02 1 499 51 51 THR HG2 H 1.172 0.02 1 500 51 51 THR CA C 61.800 0.5 1 501 51 51 THR CB C 69.000 0.5 1 502 51 51 THR CG2 C 20.950 0.5 1 503 51 51 THR N N 114.240 0.5 1 504 52 52 LEU H H 8.000 0.02 1 505 52 52 LEU HA H 4.261 0.02 1 506 52 52 LEU HB2 H 1.851 0.02 2 507 52 52 LEU HB3 H 1.600 0.02 2 508 52 52 LEU HG H 1.515 0.02 1 509 52 52 LEU HD1 H 0.829 0.02 2 510 52 52 LEU HD2 H 0.764 0.02 2 511 52 52 LEU CA C 54.800 0.5 1 512 52 52 LEU CB C 41.200 0.5 1 513 52 52 LEU CG C 26.130 0.5 1 514 52 52 LEU CD1 C 24.140 0.5 2 515 52 52 LEU CD2 C 22.690 0.5 2 516 52 52 LEU N N 124.335 0.5 1 517 53 53 GLY H H 8.450 0.02 1 518 53 53 GLY HA2 H 4.051 0.02 2 519 53 53 GLY HA3 H 3.964 0.02 2 520 53 53 GLY CA C 44.700 0.5 1 521 53 53 GLY N N 109.991 0.5 1 522 54 54 SER H H 8.060 0.02 1 523 54 54 SER HA H 4.480 0.02 1 524 54 54 SER HB2 H 3.835 0.02 2 525 54 54 SER HB3 H 3.790 0.02 2 526 54 54 SER CA C 57.300 0.5 1 527 54 54 SER CB C 63.100 0.5 1 528 54 54 SER N N 113.710 0.5 1 529 55 55 THR H H 8.210 0.02 1 530 55 55 THR HA H 4.044 0.02 1 531 55 55 THR HB H 3.664 0.02 1 532 55 55 THR HG2 H 0.916 0.02 1 533 55 55 THR CA C 61.700 0.5 1 534 55 55 THR CB C 69.800 0.5 1 535 55 55 THR CG2 C 20.996 0.5 1 536 55 55 THR N N 116.897 0.5 1 537 56 56 VAL H H 8.280 0.02 1 538 56 56 VAL HA H 3.793 0.02 1 539 56 56 VAL HB H 1.773 0.02 1 540 56 56 VAL HG1 H 0.946 0.02 2 541 56 56 VAL HG2 H 0.698 0.02 2 542 56 56 VAL CA C 66.384 0.5 1 543 56 56 VAL CB C 30.268 0.5 1 544 56 56 VAL CG1 C 20.399 0.5 2 545 56 56 VAL CG2 C 23.097 0.5 2 546 56 56 VAL N N 123.300 0.5 1 547 57 57 SER H H 7.850 0.02 1 548 57 57 SER HA H 4.136 0.02 1 549 57 57 SER HB2 H 4.009 0.02 2 550 57 57 SER HB3 H 3.869 0.02 2 551 57 57 SER CA C 61.100 0.5 1 552 57 57 SER CB C 62.800 0.5 1 553 57 57 SER N N 117.429 0.5 1 554 58 58 GLN H H 7.990 0.02 1 555 58 58 GLN HA H 4.260 0.02 1 556 58 58 GLN HB2 H 2.200 0.02 2 557 58 58 GLN HB3 H 2.030 0.02 2 558 58 58 GLN HG2 H 2.460 0.02 2 559 58 58 GLN HG3 H 2.420 0.02 2 560 58 58 GLN HE21 H 6.280 0.02 2 561 58 58 GLN HE22 H 7.300 0.02 2 562 58 58 GLN CA C 56.642 0.5 1 563 58 58 GLN CB C 29.023 0.5 1 564 58 58 GLN CG C 32.660 0.5 1 565 58 58 GLN N N 128.580 0.5 1 566 58 58 GLN NE2 N 112.400 0.5 1 567 59 59 LEU H H 8.050 0.02 1 568 59 59 LEU HA H 4.310 0.02 1 569 59 59 LEU HB2 H 1.731 0.02 2 570 59 59 LEU HB3 H 1.602 0.02 2 571 59 59 LEU HG H 1.656 0.02 1 572 59 59 LEU HD1 H 0.914 0.02 2 573 59 59 LEU HD2 H 0.827 0.02 2 574 59 59 LEU CA C 55.300 0.5 1 575 59 59 LEU CB C 41.160 0.5 1 576 59 59 LEU CG C 26.200 0.5 1 577 59 59 LEU CD1 C 24.200 0.5 2 578 59 59 LEU CD2 C 22.760 0.5 2 579 59 59 LEU N N 122.210 0.5 1 580 60 60 GLN H H 8.210 0.02 1 581 60 60 GLN HA H 4.222 0.02 1 582 60 60 GLN HB2 H 2.074 0.02 2 583 60 60 GLN HB3 H 2.117 0.02 2 584 60 60 GLN HG2 H 2.422 0.02 2 585 60 60 GLN HG3 H 2.268 0.02 2 586 60 60 GLN HE21 H 6.850 0.02 2 587 60 60 GLN HE22 H 7.530 0.02 2 588 60 60 GLN CA C 55.960 0.5 1 589 60 60 GLN CB C 27.900 0.5 1 590 60 60 GLN CG C 35.330 0.5 1 591 60 60 GLN N N 120.085 0.5 1 592 60 60 GLN NE2 N 113.483 0.5 1 593 61 61 GLU H H 8.590 0.02 1 594 61 61 GLU HA H 4.216 0.02 1 595 61 61 GLU HB2 H 2.204 0.02 2 596 61 61 GLU HB3 H 2.031 0.02 2 597 61 61 GLU HG2 H 2.289 0.02 2 598 61 61 GLU HG3 H 2.304 0.02 2 599 61 61 GLU CA C 56.900 0.5 1 600 61 61 GLU CB C 28.500 0.5 1 601 61 61 GLU CG C 35.330 0.5 1 602 61 61 GLU N N 120.920 0.5 1 603 62 62 ARG H H 7.680 0.02 1 604 62 62 ARG HA H 4.161 0.02 1 605 62 62 ARG HB2 H 2.117 0.02 2 606 62 62 ARG HB3 H 2.074 0.02 2 607 62 62 ARG HG2 H 1.685 0.02 2 608 62 62 ARG HG3 H 1.516 0.02 2 609 62 62 ARG HD2 H 3.105 0.02 2 610 62 62 ARG HD3 H 3.062 0.02 2 611 62 62 ARG CA C 58.030 0.5 1 612 62 62 ARG CB C 29.400 0.5 1 613 62 62 ARG CG C 26.400 0.5 1 614 62 62 ARG CD C 41.300 0.5 1 615 62 62 ARG N N 118.833 0.5 1 616 63 63 LEU H H 8.320 0.02 1 617 63 63 LEU HA H 4.100 0.02 1 618 63 63 LEU HB2 H 1.650 0.02 2 619 63 63 LEU HB3 H 1.560 0.02 2 620 63 63 LEU HG H 1.610 0.02 1 621 63 63 LEU HD1 H 0.870 0.02 2 622 63 63 LEU HD2 H 0.830 0.02 2 623 63 63 LEU CA C 56.360 0.5 1 624 63 63 LEU CB C 41.130 0.5 1 625 63 63 LEU CG C 27.350 0.5 1 626 63 63 LEU CD1 C 24.560 0.5 2 627 63 63 LEU CD2 C 22.200 0.5 2 628 63 63 LEU N N 118.790 0.5 1 629 64 64 GLY H H 7.220 0.02 1 630 64 64 GLY HA2 H 4.095 0.02 2 631 64 64 GLY HA3 H 3.834 0.02 2 632 64 64 GLY CA C 44.145 0.5 1 633 64 64 GLY N N 104.679 0.5 1 634 65 65 PRO CA C 62.817 0.5 1 635 65 65 PRO CB C 31.290 0.5 1 636 65 65 PRO CG C 27.005 0.5 1 637 65 65 PRO CD C 48.812 0.5 1 638 66 66 LEU H H 8.550 0.02 1 639 66 66 LEU HA H 4.609 0.02 1 640 66 66 LEU HB2 H 1.903 0.02 2 641 66 66 LEU HB3 H 1.687 0.02 2 642 66 66 LEU HD1 H 0.828 0.02 2 643 66 66 LEU HD2 H 0.780 0.02 2 644 66 66 LEU CA C 52.900 0.5 1 645 66 66 LEU CB C 43.200 0.5 1 646 66 66 LEU CG C 25.300 0.5 1 647 66 66 LEU CD1 C 21.230 0.5 2 648 66 66 LEU CD2 C 22.700 0.5 2 649 66 66 LEU N N 124.866 0.5 1 650 67 67 THR H H 7.650 0.02 1 651 67 67 THR HA H 4.824 0.02 1 652 67 67 THR HB H 3.192 0.02 1 653 67 67 THR HG2 H 1.321 0.02 1 654 67 67 THR CA C 59.240 0.5 1 655 67 67 THR CB C 71.550 0.5 1 656 67 67 THR CG2 C 20.970 0.5 1 657 67 67 THR N N 112.116 0.5 1 658 68 68 ARG H H 8.950 0.02 1 659 68 68 ARG HA H 4.230 0.02 1 660 68 68 ARG HB2 H 2.152 0.02 2 661 68 68 ARG HB3 H 2.029 0.02 2 662 68 68 ARG HG2 H 1.860 0.02 2 663 68 68 ARG HG3 H 1.773 0.02 2 664 68 68 ARG HD2 H 3.277 0.02 2 665 68 68 ARG HD3 H 3.191 0.02 2 666 68 68 ARG CA C 58.600 0.5 1 667 68 68 ARG CB C 28.900 0.5 1 668 68 68 ARG CG C 26.000 0.5 1 669 68 68 ARG CD C 42.600 0.5 1 670 68 68 ARG N N 120.085 0.5 1 671 69 69 ASP H H 8.100 0.02 1 672 69 69 ASP HA H 4.249 0.02 1 673 69 69 ASP HB2 H 2.675 0.02 2 674 69 69 ASP HB3 H 2.675 0.02 2 675 69 69 ASP CA C 56.100 0.5 1 676 69 69 ASP CB C 39.550 0.5 1 677 69 69 ASP N N 116.366 0.5 1 678 70 70 PHE H H 7.420 0.02 1 679 70 70 PHE HA H 4.090 0.02 1 680 70 70 PHE HB2 H 3.150 0.02 2 681 70 70 PHE HB3 H 3.100 0.02 2 682 70 70 PHE HD2 H 7.080 0.02 3 683 70 70 PHE HE2 H 7.240 0.02 3 684 70 70 PHE CA C 60.700 0.5 1 685 70 70 PHE CB C 38.100 0.5 1 686 70 70 PHE N N 119.553 0.5 1 687 71 71 TRP H H 6.950 0.02 1 688 71 71 TRP HA H 4.044 0.02 1 689 71 71 TRP HB2 H 3.105 0.02 2 690 71 71 TRP HB3 H 3.019 0.02 2 691 71 71 TRP HD1 H 7.560 0.02 1 692 71 71 TRP HE1 H 10.060 0.02 1 693 71 71 TRP HE3 H 7.900 0.02 1 694 71 71 TRP HZ2 H 7.760 0.02 1 695 71 71 TRP HZ3 H 6.780 0.02 1 696 71 71 TRP HH2 H 6.890 0.02 1 697 71 71 TRP CA C 58.100 0.5 1 698 71 71 TRP CB C 28.100 0.5 1 699 71 71 TRP N N 120.085 0.5 1 700 71 71 TRP NE1 N 130.820 0.5 1 701 72 72 ASP H H 8.350 0.02 1 702 72 72 ASP HA H 4.310 0.02 1 703 72 72 ASP HB2 H 2.940 0.02 2 704 72 72 ASP HB3 H 2.740 0.02 2 705 72 72 ASP CA C 55.350 0.5 1 706 72 72 ASP CB C 40.000 0.5 1 707 72 72 ASP N N 121.450 0.5 1 708 73 73 ASN H H 7.700 0.02 1 709 73 73 ASN HA H 4.220 0.02 1 710 73 73 ASN HB2 H 2.810 0.02 2 711 73 73 ASN HB3 H 2.670 0.02 2 712 73 73 ASN HD21 H 6.920 0.02 2 713 73 73 ASN HD22 H 7.630 0.02 2 714 73 73 ASN CA C 54.500 0.5 1 715 73 73 ASN CB C 40.000 0.5 1 716 73 73 ASN N N 117.200 0.5 1 717 73 73 ASN ND2 N 113.483 0.5 1 718 74 74 LEU H H 8.330 0.02 1 719 74 74 LEU HA H 4.350 0.02 1 720 74 74 LEU HB2 H 1.600 0.02 2 721 74 74 LEU HB3 H 1.560 0.02 2 722 74 74 LEU HG H 1.690 0.02 1 723 74 74 LEU HD1 H 0.910 0.02 2 724 74 74 LEU HD2 H 0.831 0.02 2 725 74 74 LEU CA C 54.700 0.5 1 726 74 74 LEU CB C 41.400 0.5 1 727 74 74 LEU CG C 26.200 0.5 1 728 74 74 LEU CD1 C 24.500 0.5 2 729 74 74 LEU CD2 C 22.600 0.5 2 730 74 74 LEU N N 123.600 0.5 1 731 75 75 GLU H H 8.600 0.02 1 732 75 75 GLU HA H 4.000 0.02 1 733 75 75 GLU HB2 H 2.160 0.02 2 734 75 75 GLU HB3 H 2.030 0.02 2 735 75 75 GLU HG2 H 2.290 0.02 2 736 75 75 GLU HG3 H 2.200 0.02 2 737 75 75 GLU CA C 58.200 0.5 1 738 75 75 GLU CB C 28.400 0.5 1 739 75 75 GLU CG C 35.100 0.5 1 740 75 75 GLU N N 121.400 0.5 1 741 76 76 LYS H H 7.690 0.02 1 742 76 76 LYS HA H 4.117 0.02 1 743 76 76 LYS HB2 H 1.990 0.02 2 744 76 76 LYS HB3 H 1.860 0.02 2 745 76 76 LYS HG2 H 1.510 0.02 2 746 76 76 LYS HG3 H 1.340 0.02 2 747 76 76 LYS HD2 H 1.720 0.02 2 748 76 76 LYS HD3 H 1.640 0.02 2 749 76 76 LYS HE2 H 3.100 0.02 2 750 76 76 LYS HE3 H 2.930 0.02 2 751 76 76 LYS CA C 58.400 0.5 1 752 76 76 LYS CB C 32.480 0.5 1 753 76 76 LYS CG C 24.300 0.5 1 754 76 76 LYS CD C 27.976 0.5 1 755 76 76 LYS CE C 41.443 0.5 1 756 76 76 LYS N N 118.000 0.5 1 757 77 77 GLU H H 8.290 0.02 1 758 77 77 GLU HA H 4.310 0.02 1 759 77 77 GLU HB2 H 2.202 0.02 2 760 77 77 GLU HB3 H 2.030 0.02 2 761 77 77 GLU HG2 H 2.202 0.02 2 762 77 77 GLU HG3 H 2.032 0.02 2 763 77 77 GLU CA C 54.785 0.5 1 764 77 77 GLU CB C 28.355 0.5 1 765 77 77 GLU CG C 33.873 0.5 1 766 77 77 GLU N N 115.835 0.5 1 767 78 78 THR H H 7.490 0.02 1 768 78 78 THR HA H 4.410 0.02 1 769 78 78 THR HG2 H 1.386 0.02 1 770 78 78 THR CA C 68.100 0.5 1 771 78 78 THR CB C 69.451 0.5 1 772 78 78 THR CG2 C 20.600 0.5 1 773 78 78 THR N N 120.300 0.5 1 774 79 79 ASP H H 8.880 0.02 1 775 79 79 ASP HA H 4.480 0.02 1 776 79 79 ASP HB2 H 2.890 0.02 2 777 79 79 ASP HB3 H 2.715 0.02 2 778 79 79 ASP CA C 57.426 0.5 1 779 79 79 ASP CB C 39.240 0.5 1 780 79 79 ASP N N 120.085 0.5 1 781 80 80 TRP H H 7.760 0.02 1 782 80 80 TRP HA H 4.280 0.02 1 783 80 80 TRP HB2 H 3.363 0.02 2 784 80 80 TRP HB3 H 3.707 0.02 2 785 80 80 TRP HD1 H 7.240 0.02 1 786 80 80 TRP HE1 H 10.100 0.02 1 787 80 80 TRP HE3 H 7.550 0.02 1 788 80 80 TRP HZ2 H 7.380 0.02 1 789 80 80 TRP HZ3 H 7.060 0.02 1 790 80 80 TRP HH2 H 7.130 0.02 1 791 80 80 TRP CA C 60.660 0.5 1 792 80 80 TRP CB C 27.000 0.5 1 793 80 80 TRP N N 123.803 0.5 1 794 80 80 TRP NE1 N 130.280 0.5 1 795 81 81 VAL H H 8.160 0.02 1 796 81 81 VAL HA H 4.280 0.02 1 797 81 81 VAL HB H 1.945 0.02 1 798 81 81 VAL HG1 H 0.869 0.02 2 799 81 81 VAL HG2 H 0.739 0.02 2 800 81 81 VAL CA C 61.200 0.5 1 801 81 81 VAL CB C 29.900 0.5 1 802 81 81 VAL CG1 C 22.206 0.5 2 803 81 81 VAL CG2 C 22.206 0.5 2 804 81 81 VAL N N 118.790 0.5 1 805 82 82 ARG H H 7.100 0.02 1 806 82 82 ARG HA H 4.480 0.02 1 807 82 82 ARG HB2 H 1.300 0.02 2 808 82 82 ARG HB3 H 1.343 0.02 2 809 82 82 ARG HG2 H 1.989 0.02 2 810 82 82 ARG HG3 H 1.815 0.02 2 811 82 82 ARG CA C 58.400 0.5 1 812 82 82 ARG CB C 29.800 0.5 1 813 82 82 ARG CG C 27.362 0.5 1 814 82 82 ARG N N 119.190 0.5 1 815 83 83 GLN H H 8.050 0.02 1 816 83 83 GLN HA H 4.222 0.02 1 817 83 83 GLN HB2 H 2.290 0.02 2 818 83 83 GLN HB3 H 2.120 0.02 2 819 83 83 GLN HG2 H 2.420 0.02 2 820 83 83 GLN HG3 H 2.290 0.02 2 821 83 83 GLN HE21 H 7.100 0.02 2 822 83 83 GLN HE22 H 7.710 0.02 2 823 83 83 GLN CA C 55.600 0.5 1 824 83 83 GLN CB C 28.550 0.5 1 825 83 83 GLN CG C 33.000 0.5 1 826 83 83 GLN N N 117.960 0.5 1 827 83 83 GLN NE2 N 114.025 0.5 1 828 84 84 GLU H H 7.920 0.02 1 829 84 84 GLU HA H 4.100 0.02 1 830 84 84 GLU HB2 H 2.160 0.02 2 831 84 84 GLU HB3 H 2.030 0.02 2 832 84 84 GLU HG2 H 2.370 0.02 2 833 84 84 GLU HG3 H 2.160 0.02 2 834 84 84 GLU CA C 57.300 0.5 1 835 84 84 GLU CB C 28.600 0.5 1 836 84 84 GLU CG C 35.500 0.5 1 837 84 84 GLU N N 119.022 0.5 1 838 85 85 MET H H 8.230 0.02 1 839 85 85 MET HA H 4.265 0.02 1 840 85 85 MET HB2 H 2.070 0.02 2 841 85 85 MET HB3 H 2.030 0.02 2 842 85 85 MET HG2 H 2.380 0.02 2 843 85 85 MET HG3 H 2.330 0.02 2 844 85 85 MET CA C 55.020 0.5 1 845 85 85 MET CB C 33.000 0.5 1 846 85 85 MET CG C 32.500 0.5 1 847 85 85 MET N N 117.565 0.5 1 848 86 86 ASN H H 8.600 0.02 1 849 86 86 ASN HA H 4.570 0.02 1 850 86 86 ASN HB2 H 3.060 0.02 2 851 86 86 ASN HB3 H 2.850 0.02 2 852 86 86 ASN HD21 H 6.935 0.02 2 853 86 86 ASN HD22 H 6.935 0.02 2 854 86 86 ASN CA C 56.000 0.5 1 855 86 86 ASN CB C 37.700 0.5 1 856 86 86 ASN N N 119.022 0.5 1 857 86 86 ASN ND2 N 110.775 0.5 1 858 87 87 LYS H H 7.220 0.02 1 859 87 87 LYS HA H 4.100 0.02 1 860 87 87 LYS HB2 H 1.950 0.02 2 861 87 87 LYS HB3 H 1.900 0.02 2 862 87 87 LYS HG2 H 1.600 0.02 2 863 87 87 LYS HG3 H 1.430 0.02 2 864 87 87 LYS HD2 H 1.690 0.02 2 865 87 87 LYS HD3 H 1.690 0.02 2 866 87 87 LYS HE2 H 3.060 0.02 2 867 87 87 LYS HE3 H 2.890 0.02 2 868 87 87 LYS CA C 59.000 0.5 1 869 87 87 LYS CB C 30.900 0.5 1 870 87 87 LYS CG C 24.100 0.5 1 871 87 87 LYS CD C 28.200 0.5 1 872 87 87 LYS CE C 41.400 0.5 1 873 87 87 LYS N N 120.273 0.5 1 874 88 88 ASP H H 7.390 0.02 1 875 88 88 ASP HA H 4.480 0.02 1 876 88 88 ASP HB2 H 2.720 0.02 2 877 88 88 ASP HB3 H 2.590 0.02 2 878 88 88 ASP CA C 56.840 0.5 1 879 88 88 ASP CB C 39.450 0.5 1 880 88 88 ASP N N 121.147 0.5 1 881 89 89 LEU H H 8.910 0.02 1 882 89 89 LEU HA H 4.470 0.02 1 883 89 89 LEU HB2 H 1.980 0.02 2 884 89 89 LEU HB3 H 1.850 0.02 2 885 89 89 LEU HG H 1.690 0.02 1 886 89 89 LEU HD1 H 0.656 0.02 2 887 89 89 LEU HD2 H 0.355 0.02 2 888 89 89 LEU CA C 57.000 0.5 1 889 89 89 LEU CB C 41.000 0.5 1 890 89 89 LEU CG C 26.000 0.5 1 891 89 89 LEU CD1 C 24.000 0.5 2 892 89 89 LEU CD2 C 22.400 0.5 2 893 89 89 LEU N N 122.741 0.5 1 894 90 90 GLU H H 8.260 0.02 1 895 90 90 GLU HA H 4.050 0.02 1 896 90 90 GLU HB2 H 2.300 0.02 2 897 90 90 GLU HB3 H 2.020 0.02 2 898 90 90 GLU HG2 H 2.418 0.02 2 899 90 90 GLU HG3 H 2.250 0.02 2 900 90 90 GLU CA C 59.100 0.5 1 901 90 90 GLU CB C 28.556 0.5 1 902 90 90 GLU CG C 35.600 0.5 1 903 90 90 GLU N N 119.553 0.5 1 904 91 91 GLU H H 7.470 0.02 1 905 91 91 GLU HA H 4.136 0.02 1 906 91 91 GLU HB2 H 2.246 0.02 2 907 91 91 GLU HB3 H 2.158 0.02 2 908 91 91 GLU HG2 H 2.418 0.02 2 909 91 91 GLU HG3 H 2.246 0.02 2 910 91 91 GLU CA C 58.600 0.5 1 911 91 91 GLU CB C 28.600 0.5 1 912 91 91 GLU CG C 35.400 0.5 1 913 91 91 GLU N N 119.190 0.5 1 914 92 92 VAL H H 8.420 0.02 1 915 92 92 VAL HA H 3.837 0.02 1 916 92 92 VAL HB H 1.932 0.02 1 917 92 92 VAL HG1 H 1.289 0.02 2 918 92 92 VAL HG2 H 1.147 0.02 2 919 92 92 VAL CA C 65.900 0.5 1 920 92 92 VAL CB C 29.200 0.5 1 921 92 92 VAL CG1 C 24.583 0.5 2 922 92 92 VAL CG2 C 21.800 0.5 2 923 92 92 VAL N N 122.230 0.5 1 924 93 93 LYS H H 9.000 0.02 1 925 93 93 LYS HA H 3.836 0.02 1 926 93 93 LYS HB2 H 2.423 0.02 2 927 93 93 LYS HB3 H 1.904 0.02 2 928 93 93 LYS HG2 H 1.474 0.02 2 929 93 93 LYS HG3 H 1.124 0.02 2 930 93 93 LYS HD2 H 1.674 0.02 2 931 93 93 LYS HD3 H 1.670 0.02 2 932 93 93 LYS HE2 H 2.933 0.02 2 933 93 93 LYS HE3 H 2.890 0.02 2 934 93 93 LYS CA C 59.900 0.5 1 935 93 93 LYS CB C 31.277 0.5 1 936 93 93 LYS CG C 25.507 0.5 1 937 93 93 LYS CD C 29.126 0.5 1 938 93 93 LYS CE C 40.500 0.5 1 939 93 93 LYS N N 121.300 0.5 1 940 94 94 GLN H H 7.320 0.02 1 941 94 94 GLN HA H 4.094 0.02 1 942 94 94 GLN HB2 H 2.246 0.02 2 943 94 94 GLN HB3 H 2.162 0.02 2 944 94 94 GLN HG2 H 2.634 0.02 2 945 94 94 GLN HG3 H 2.462 0.02 2 946 94 94 GLN HE21 H 6.260 0.02 2 947 94 94 GLN HE22 H 7.300 0.02 2 948 94 94 GLN CA C 57.731 0.5 1 949 94 94 GLN CB C 27.700 0.5 1 950 94 94 GLN CG C 33.000 0.5 1 951 94 94 GLN N N 116.900 0.5 1 952 94 94 GLN NE2 N 112.400 0.5 1 953 95 95 LYS H H 7.590 0.02 1 954 95 95 LYS HA H 4.137 0.02 1 955 95 95 LYS HB2 H 1.860 0.02 2 956 95 95 LYS HB3 H 1.643 0.02 2 957 95 95 LYS HG2 H 1.690 0.02 2 958 95 95 LYS HG3 H 1.505 0.02 2 959 95 95 LYS HD2 H 2.290 0.02 2 960 95 95 LYS HD3 H 2.070 0.02 2 961 95 95 LYS HE2 H 3.060 0.02 2 962 95 95 LYS HE3 H 3.020 0.02 2 963 95 95 LYS CA C 57.700 0.5 1 964 95 95 LYS CB C 31.800 0.5 1 965 95 95 LYS CG C 24.452 0.5 1 966 95 95 LYS CD C 28.000 0.5 1 967 95 95 LYS CE C 41.450 0.5 1 968 95 95 LYS N N 119.190 0.5 1 969 96 96 VAL H H 7.960 0.02 1 970 96 96 VAL HA H 4.138 0.02 1 971 96 96 VAL HB H 1.859 0.02 1 972 96 96 VAL HG1 H 0.914 0.02 2 973 96 96 VAL HG2 H 0.831 0.02 2 974 96 96 VAL CA C 61.600 0.5 1 975 96 96 VAL CB C 31.500 0.5 1 976 96 96 VAL CG1 C 19.600 0.5 2 977 96 96 VAL CG2 C 21.100 0.5 2 978 96 96 VAL N N 111.000 0.5 1 979 97 97 GLN H H 7.380 0.02 1 980 97 97 GLN HA H 4.030 0.02 1 981 97 97 GLN HB2 H 2.290 0.02 2 982 97 97 GLN HB3 H 2.113 0.02 2 983 97 97 GLN HG2 H 2.470 0.02 2 984 97 97 GLN HG3 H 2.420 0.02 2 985 97 97 GLN HE21 H 6.790 0.02 2 986 97 97 GLN HE22 H 7.380 0.02 2 987 97 97 GLN CA C 59.226 0.5 1 988 97 97 GLN CB C 24.578 0.5 1 989 97 97 GLN CG C 32.200 0.5 1 990 97 97 GLN N N 122.210 0.5 1 991 97 97 GLN NE2 N 114.025 0.5 1 992 98 98 PRO CA C 65.400 0.5 1 993 98 98 PRO CB C 30.336 0.5 1 994 98 98 PRO CG C 27.731 0.5 1 995 98 98 PRO CD C 49.985 0.5 1 996 99 99 TYR H H 7.100 0.02 1 997 99 99 TYR HA H 4.480 0.02 1 998 99 99 TYR HB2 H 3.364 0.02 2 999 99 99 TYR HB3 H 3.110 0.02 2 1000 99 99 TYR HD1 H 6.940 0.02 3 1001 99 99 TYR HD2 H 6.910 0.02 3 1002 99 99 TYR HE1 H 7.010 0.02 3 1003 99 99 TYR HE2 H 6.980 0.02 3 1004 99 99 TYR CA C 58.446 0.5 1 1005 99 99 TYR CB C 36.344 0.5 1 1006 99 99 TYR N N 116.900 0.5 1 1007 100 100 LEU H H 7.500 0.02 1 1008 100 100 LEU HA H 3.964 0.02 1 1009 100 100 LEU HB2 H 2.847 0.02 2 1010 100 100 LEU HB3 H 2.805 0.02 2 1011 100 100 LEU HD1 H 0.957 0.02 2 1012 100 100 LEU HD2 H 0.699 0.02 2 1013 100 100 LEU CA C 57.300 0.5 1 1014 100 100 LEU CB C 40.950 0.5 1 1015 100 100 LEU CG C 26.370 0.5 1 1016 100 100 LEU CD1 C 22.584 0.5 2 1017 100 100 LEU CD2 C 24.800 0.5 2 1018 100 100 LEU N N 123.270 0.5 1 1019 101 101 ASP H H 8.450 0.02 1 1020 101 101 ASP HA H 3.810 0.02 1 1021 101 101 ASP HB2 H 2.632 0.02 2 1022 101 101 ASP HB3 H 2.632 0.02 2 1023 101 101 ASP CA C 58.200 0.5 1 1024 101 101 ASP CB C 39.100 0.5 1 1025 101 101 ASP N N 119.500 0.5 1 1026 102 102 GLU H H 8.190 0.02 1 1027 102 102 GLU HA H 4.222 0.02 1 1028 102 102 GLU HB2 H 2.117 0.02 2 1029 102 102 GLU HB3 H 2.117 0.02 2 1030 102 102 GLU HG2 H 2.289 0.02 2 1031 102 102 GLU HG3 H 2.289 0.02 2 1032 102 102 GLU CA C 59.200 0.5 1 1033 102 102 GLU CB C 31.100 0.5 1 1034 102 102 GLU CG C 35.794 0.5 1 1035 102 102 GLU N N 121.221 0.5 1 1036 103 103 PHE H H 8.170 0.02 1 1037 103 103 PHE HA H 4.520 0.02 1 1038 103 103 PHE HB2 H 3.020 0.02 2 1039 103 103 PHE HB3 H 2.850 0.02 2 1040 103 103 PHE HD1 H 7.032 0.02 1 1041 103 103 PHE HD2 H 6.938 0.02 1 1042 103 103 PHE HE1 H 7.384 0.02 1 1043 103 103 PHE CA C 57.183 0.5 1 1044 103 103 PHE CB C 38.608 0.5 1 1045 103 103 PHE N N 124.065 0.5 1 1046 104 104 GLN H H 8.030 0.02 1 1047 104 104 GLN HA H 4.222 0.02 1 1048 104 104 GLN HB2 H 2.030 0.02 2 1049 104 104 GLN HB3 H 1.776 0.02 2 1050 104 104 GLN HG3 H 2.289 0.02 2 1051 104 104 GLN HE21 H 6.835 0.02 2 1052 104 104 GLN HE22 H 7.505 0.02 2 1053 104 104 GLN CA C 55.460 0.5 1 1054 104 104 GLN CB C 29.200 0.5 1 1055 104 104 GLN CG C 35.200 0.5 1 1056 104 104 GLN N N 123.272 0.5 1 1057 104 104 GLN NE2 N 112.671 0.5 1 1058 105 105 LYS H H 7.800 0.02 1 1059 105 105 LYS HA H 4.136 0.02 1 1060 105 105 LYS HB2 H 1.788 0.02 2 1061 105 105 LYS HB3 H 1.797 0.02 2 1062 105 105 LYS HG2 H 1.515 0.02 2 1063 105 105 LYS HG3 H 1.511 0.02 2 1064 105 105 LYS HD2 H 1.630 0.02 2 1065 105 105 LYS HD3 H 1.640 0.02 2 1066 105 105 LYS HE2 H 2.962 0.02 2 1067 105 105 LYS HE3 H 2.972 0.02 2 1068 105 105 LYS CA C 57.830 0.5 1 1069 105 105 LYS CB C 32.220 0.5 1 1070 105 105 LYS CG C 24.090 0.5 1 1071 105 105 LYS CD C 27.920 0.5 1 1072 105 105 LYS CE C 41.150 0.5 1 1073 105 105 LYS N N 119.600 0.5 1 1074 106 106 LYS H H 7.740 0.02 1 1075 106 106 LYS HA H 4.093 0.02 1 1076 106 106 LYS HB2 H 1.900 0.02 2 1077 106 106 LYS HB3 H 1.820 0.02 2 1078 106 106 LYS HG2 H 1.550 0.02 2 1079 106 106 LYS HG3 H 1.470 0.02 2 1080 106 106 LYS HD2 H 1.680 0.02 2 1081 106 106 LYS HD3 H 1.640 0.02 2 1082 106 106 LYS HE2 H 2.970 0.02 2 1083 106 106 LYS HE3 H 2.930 0.02 2 1084 106 106 LYS CA C 57.860 0.5 1 1085 106 106 LYS CB C 32.080 0.5 1 1086 106 106 LYS CG C 23.870 0.5 1 1087 106 106 LYS CD C 28.760 0.5 1 1088 106 106 LYS CE C 41.260 0.5 1 1089 106 106 LYS N N 117.960 0.5 1 1090 107 107 TRP H H 8.390 0.02 1 1091 107 107 TRP HA H 4.310 0.02 1 1092 107 107 TRP HB2 H 3.580 0.02 2 1093 107 107 TRP HB3 H 3.560 0.02 2 1094 107 107 TRP HD1 H 7.220 0.02 1 1095 107 107 TRP HE1 H 9.650 0.02 1 1096 107 107 TRP HE3 H 7.530 0.02 1 1097 107 107 TRP HZ2 H 7.380 0.02 1 1098 107 107 TRP HZ3 H 7.040 0.02 1 1099 107 107 TRP HH2 H 7.100 0.02 1 1100 107 107 TRP CA C 54.900 0.5 1 1101 107 107 TRP CB C 28.400 0.5 1 1102 107 107 TRP N N 119.320 0.5 1 1103 107 107 TRP NE1 N 128.650 0.5 1 1104 108 108 LYS H H 7.420 0.02 1 1105 108 108 LYS HA H 4.350 0.02 1 1106 108 108 LYS HB2 H 1.820 0.02 2 1107 108 108 LYS HB3 H 1.730 0.02 2 1108 108 108 LYS HG2 H 1.340 0.02 2 1109 108 108 LYS HG3 H 1.340 0.02 2 1110 108 108 LYS HD2 H 1.710 0.02 2 1111 108 108 LYS HD3 H 1.680 0.02 2 1112 108 108 LYS HE2 H 2.800 0.02 2 1113 108 108 LYS HE3 H 2.760 0.02 2 1114 108 108 LYS CA C 58.170 0.5 1 1115 108 108 LYS CB C 30.250 0.5 1 1116 108 108 LYS CG C 25.230 0.5 1 1117 108 108 LYS CD C 28.300 0.5 1 1118 108 108 LYS CE C 42.563 0.5 1 1119 108 108 LYS N N 120.390 0.5 1 1120 109 109 GLU H H 7.800 0.02 1 1121 109 109 GLU HA H 3.922 0.02 1 1122 109 109 GLU HB2 H 2.300 0.02 2 1123 109 109 GLU HB3 H 2.114 0.02 2 1124 109 109 GLU HG2 H 2.460 0.02 2 1125 109 109 GLU HG3 H 2.280 0.02 2 1126 109 109 GLU CA C 58.230 0.5 1 1127 109 109 GLU CB C 29.230 0.5 1 1128 109 109 GLU CG C 35.400 0.5 1 1129 109 109 GLU N N 120.220 0.5 1 1130 110 110 ASP H H 8.220 0.02 1 1131 110 110 ASP HA H 4.096 0.02 1 1132 110 110 ASP HB2 H 2.760 0.02 2 1133 110 110 ASP HB3 H 2.551 0.02 2 1134 110 110 ASP CA C 57.514 0.5 1 1135 110 110 ASP CB C 40.005 0.5 1 1136 110 110 ASP N N 121.678 0.5 1 1137 111 111 VAL H H 9.170 0.02 1 1138 111 111 VAL HB H 2.460 0.02 1 1139 111 111 VAL HG1 H 1.560 0.02 2 1140 111 111 VAL HG2 H 1.172 0.02 2 1141 111 111 VAL CA C 66.380 0.5 1 1142 111 111 VAL CB C 30.800 0.5 1 1143 111 111 VAL CG1 C 24.200 0.5 2 1144 111 111 VAL CG2 C 20.900 0.5 2 1145 111 111 VAL N N 123.537 0.5 1 1146 112 112 GLU H H 7.540 0.02 1 1147 112 112 GLU HA H 4.179 0.02 1 1148 112 112 GLU HB2 H 2.374 0.02 2 1149 112 112 GLU HB3 H 2.203 0.02 2 1150 112 112 GLU HG2 H 2.589 0.02 2 1151 112 112 GLU HG3 H 2.418 0.02 2 1152 112 112 GLU CA C 58.431 0.5 1 1153 112 112 GLU CB C 27.878 0.5 1 1154 112 112 GLU CG C 35.332 0.5 1 1155 112 112 GLU N N 120.200 0.5 1 1156 113 113 LEU H H 7.900 0.02 1 1157 113 113 LEU HA H 4.439 0.02 1 1158 113 113 LEU HB2 H 3.143 0.02 2 1159 113 113 LEU HB3 H 2.976 0.02 2 1160 113 113 LEU HG H 1.687 0.02 1 1161 113 113 LEU HD1 H 0.957 0.02 2 1162 113 113 LEU HD2 H 0.914 0.02 2 1163 113 113 LEU CA C 53.800 0.5 1 1164 113 113 LEU CB C 41.060 0.5 1 1165 113 113 LEU CG C 26.000 0.5 1 1166 113 113 LEU CD1 C 23.200 0.5 2 1167 113 113 LEU CD2 C 19.800 0.5 2 1168 113 113 LEU N N 120.815 0.5 1 1169 114 114 TYR H H 8.370 0.02 1 1170 114 114 TYR HA H 4.520 0.02 1 1171 114 114 TYR HB2 H 3.150 0.02 2 1172 114 114 TYR HB3 H 2.980 0.02 2 1173 114 114 TYR CA C 56.942 0.5 1 1174 114 114 TYR CB C 37.834 0.5 1 1175 114 114 TYR N N 120.920 0.5 1 1176 115 115 ARG H H 7.630 0.02 1 1177 115 115 ARG HA H 4.820 0.02 1 1178 115 115 ARG HB2 H 1.640 0.02 2 1179 115 115 ARG HB3 H 1.560 0.02 2 1180 115 115 ARG CA C 55.700 0.5 1 1181 115 115 ARG CB C 30.600 0.5 1 1182 115 115 ARG N N 118.260 0.5 1 1183 116 116 GLN H H 7.980 0.02 1 1184 116 116 GLN HA H 4.480 0.02 1 1185 116 116 GLN HB2 H 2.250 0.02 2 1186 116 116 GLN HB3 H 2.160 0.02 2 1187 116 116 GLN HG2 H 2.430 0.02 2 1188 116 116 GLN HG3 H 2.330 0.02 2 1189 116 116 GLN HE21 H 6.560 0.02 2 1190 116 116 GLN HE22 H 7.550 0.02 2 1191 116 116 GLN CA C 57.100 0.5 1 1192 116 116 GLN CB C 28.060 0.5 1 1193 116 116 GLN CG C 33.459 0.5 1 1194 116 116 GLN N N 116.670 0.5 1 1195 116 116 GLN NE2 N 114.025 0.5 1 1196 117 117 LYS H H 7.780 0.02 1 1197 117 117 LYS HA H 4.211 0.02 1 1198 117 117 LYS HB2 H 1.950 0.02 2 1199 117 117 LYS HB3 H 1.820 0.02 2 1200 117 117 LYS HG2 H 1.560 0.02 2 1201 117 117 LYS HG3 H 1.470 0.02 2 1202 117 117 LYS HD2 H 1.650 0.02 2 1203 117 117 LYS HD3 H 1.560 0.02 2 1204 117 117 LYS HE2 H 3.050 0.02 2 1205 117 117 LYS HE3 H 2.930 0.02 2 1206 117 117 LYS CA C 56.700 0.5 1 1207 117 117 LYS CB C 32.100 0.5 1 1208 117 117 LYS CG C 24.250 0.5 1 1209 117 117 LYS CD C 28.200 0.5 1 1210 117 117 LYS CE C 41.300 0.5 1 1211 117 117 LYS N N 119.200 0.5 1 1212 118 118 ALA H H 8.100 0.02 1 1213 118 118 ALA HA H 4.179 0.02 1 1214 118 118 ALA HB H 1.043 0.02 1 1215 118 118 ALA CA C 52.100 0.5 1 1216 118 118 ALA CB C 18.100 0.5 1 1217 118 118 ALA N N 122.740 0.5 1 1218 119 119 SER H H 7.800 0.02 1 1219 119 119 SER HA H 4.210 0.02 1 1220 119 119 SER HB2 H 3.879 0.02 2 1221 119 119 SER HB3 H 3.836 0.02 2 1222 119 119 SER CA C 55.900 0.5 1 1223 119 119 SER CB C 62.900 0.5 1 1224 119 119 SER N N 115.840 0.5 1 1225 120 120 PRO CA C 63.074 0.5 1 1226 120 120 PRO CB C 31.408 0.5 1 1227 120 120 PRO CG C 26.901 0.5 1 1228 120 120 PRO CD C 50.035 0.5 1 1229 121 121 GLN H H 8.450 0.02 1 1230 121 121 GLN HA H 4.350 0.02 1 1231 121 121 GLN HB2 H 2.202 0.02 2 1232 121 121 GLN HB3 H 1.950 0.02 2 1233 121 121 GLN HG2 H 2.420 0.02 2 1234 121 121 GLN HG3 H 2.330 0.02 2 1235 121 121 GLN HE21 H 6.840 0.02 2 1236 121 121 GLN HE22 H 7.550 0.02 2 1237 121 121 GLN CA C 55.800 0.5 1 1238 121 121 GLN CB C 28.300 0.5 1 1239 121 121 GLN CG C 33.400 0.5 1 1240 121 121 GLN N N 120.800 0.5 1 1241 121 121 GLN NE2 N 112.400 0.5 1 1242 122 122 GLY H H 8.380 0.02 1 1243 122 122 GLY HA2 H 4.010 0.02 2 1244 122 122 GLY HA3 H 3.963 0.02 2 1245 122 122 GLY CA C 44.500 0.5 1 1246 122 122 GLY N N 109.991 0.5 1 1247 123 123 ALA H H 8.200 0.02 1 1248 123 123 ALA HA H 4.280 0.02 1 1249 123 123 ALA HB H 1.390 0.02 1 1250 123 123 ALA CA C 52.440 0.5 1 1251 123 123 ALA CB C 18.530 0.5 1 1252 123 123 ALA N N 124.866 0.5 1 1253 124 124 GLU H H 8.510 0.02 1 1254 124 124 GLU HA H 4.265 0.02 1 1255 124 124 GLU HB2 H 2.210 0.02 2 1256 124 124 GLU HB3 H 2.030 0.02 2 1257 124 124 GLU HG2 H 2.370 0.02 2 1258 124 124 GLU HG3 H 2.240 0.02 2 1259 124 124 GLU CA C 56.533 0.5 1 1260 124 124 GLU CB C 29.150 0.5 1 1261 124 124 GLU CG C 35.877 0.5 1 1262 124 124 GLU N N 120.000 0.5 1 1263 125 125 LEU H H 8.110 0.02 1 1264 125 125 LEU HA H 4.222 0.02 1 1265 125 125 LEU HB2 H 1.770 0.02 2 1266 125 125 LEU HB3 H 1.560 0.02 2 1267 125 125 LEU HG H 1.580 0.02 1 1268 125 125 LEU HD1 H 0.960 0.02 2 1269 125 125 LEU HD2 H 0.871 0.02 2 1270 125 125 LEU CA C 55.600 0.5 1 1271 125 125 LEU CB C 41.500 0.5 1 1272 125 125 LEU CG C 26.299 0.5 1 1273 125 125 LEU CD1 C 24.285 0.5 2 1274 125 125 LEU CD2 C 22.600 0.5 2 1275 125 125 LEU N N 122.740 0.5 1 1276 126 126 GLN H H 8.190 0.02 1 1277 126 126 GLN HA H 4.140 0.02 1 1278 126 126 GLN HB2 H 2.160 0.02 2 1279 126 126 GLN HB3 H 1.990 0.02 2 1280 126 126 GLN HG2 H 2.460 0.02 2 1281 126 126 GLN HG3 H 2.340 0.02 2 1282 126 126 GLN HE21 H 6.810 0.02 2 1283 126 126 GLN HE22 H 7.430 0.02 2 1284 126 126 GLN CA C 56.600 0.5 1 1285 126 126 GLN CB C 28.200 0.5 1 1286 126 126 GLN CG C 33.000 0.5 1 1287 126 126 GLN N N 120.616 0.5 1 1288 126 126 GLN NE2 N 111.858 0.5 1 1289 127 127 GLU H H 8.130 0.02 1 1290 127 127 GLU HA H 4.480 0.02 1 1291 127 127 GLU HB2 H 2.200 0.02 2 1292 127 127 GLU HB3 H 2.030 0.02 2 1293 127 127 GLU HG2 H 2.290 0.02 2 1294 127 127 GLU HG3 H 2.120 0.02 2 1295 127 127 GLU CA C 57.800 0.5 1 1296 127 127 GLU CB C 28.000 0.5 1 1297 127 127 GLU CG C 35.200 0.5 1 1298 127 127 GLU N N 121.221 0.5 1 1299 128 128 SER H H 8.580 0.02 1 1300 128 128 SER HA H 4.140 0.02 1 1301 128 128 SER CA C 57.800 0.5 1 1302 128 128 SER CB C 63.860 0.5 1 1303 128 128 SER N N 117.960 0.5 1 1304 129 129 ALA H H 7.980 0.02 1 1305 129 129 ALA HB H 1.773 0.02 1 1306 129 129 ALA CA C 53.505 0.5 1 1307 129 129 ALA CB C 18.600 0.5 1 1308 129 129 ALA N N 132.300 0.5 1 1309 130 130 ARG H H 8.150 0.02 1 1310 130 130 ARG HA H 4.274 0.02 1 1311 130 130 ARG HB2 H 2.030 0.02 2 1312 130 130 ARG HB3 H 1.855 0.02 2 1313 130 130 ARG HG2 H 1.680 0.02 2 1314 130 130 ARG HG3 H 1.560 0.02 2 1315 130 130 ARG HD2 H 3.320 0.02 2 1316 130 130 ARG HD3 H 3.140 0.02 2 1317 130 130 ARG CA C 55.300 0.5 1 1318 130 130 ARG CB C 31.600 0.5 1 1319 130 130 ARG CG C 26.400 0.5 1 1320 130 130 ARG CD C 42.300 0.5 1 1321 130 130 ARG N N 119.553 0.5 1 1322 131 131 GLN H H 7.880 0.02 1 1323 131 131 GLN HA H 4.350 0.02 1 1324 131 131 GLN HB2 H 2.030 0.02 2 1325 131 131 GLN HB3 H 1.980 0.02 2 1326 131 131 GLN HG2 H 2.530 0.02 2 1327 131 131 GLN HG3 H 2.460 0.02 2 1328 131 131 GLN HE21 H 6.680 0.02 2 1329 131 131 GLN HE22 H 7.410 0.02 2 1330 131 131 GLN CA C 56.066 0.5 1 1331 131 131 GLN CB C 29.000 0.5 1 1332 131 131 GLN CG C 32.800 0.5 1 1333 131 131 GLN N N 117.960 0.5 1 1334 131 131 GLN NE2 N 112.942 0.5 1 1335 132 132 LYS H H 7.892 0.02 1 1336 132 132 LYS HA H 4.136 0.02 1 1337 132 132 LYS HB2 H 1.816 0.02 2 1338 132 132 LYS HB3 H 1.730 0.02 2 1339 132 132 LYS HG2 H 1.472 0.02 2 1340 132 132 LYS HG3 H 1.343 0.02 2 1341 132 132 LYS HE2 H 3.019 0.02 2 1342 132 132 LYS HE3 H 2.933 0.02 2 1343 132 132 LYS CA C 56.800 0.5 1 1344 132 132 LYS CB C 31.100 0.5 1 1345 132 132 LYS CG C 24.281 0.5 1 1346 132 132 LYS CE C 41.156 0.5 1 1347 132 132 LYS N N 121.357 0.5 1 1348 133 133 LEU H H 8.320 0.02 1 1349 133 133 LEU HA H 4.480 0.02 1 1350 133 133 LEU HB2 H 1.730 0.02 2 1351 133 133 LEU HB3 H 1.640 0.02 2 1352 133 133 LEU HG H 1.600 0.02 1 1353 133 133 LEU HD1 H 0.849 0.02 2 1354 133 133 LEU CA C 53.900 0.5 1 1355 133 133 LEU CB C 41.230 0.5 1 1356 133 133 LEU CG C 26.118 0.5 1 1357 133 133 LEU CD1 C 23.041 0.5 2 1358 133 133 LEU N N 120.620 0.5 1 1359 134 134 GLN H H 7.870 0.02 1 1360 134 134 GLN HA H 4.222 0.02 1 1361 134 134 GLN HB2 H 2.120 0.02 2 1362 134 134 GLN HB3 H 2.030 0.02 2 1363 134 134 GLN HG2 H 2.590 0.02 2 1364 134 134 GLN HG3 H 2.390 0.02 2 1365 134 134 GLN HE21 H 6.810 0.02 2 1366 134 134 GLN HE22 H 7.540 0.02 2 1367 134 134 GLN CA C 56.146 0.5 1 1368 134 134 GLN CB C 31.813 0.5 1 1369 134 134 GLN CG C 33.100 0.5 1 1370 134 134 GLN N N 121.147 0.5 1 1371 134 134 GLN NE2 N 111.858 0.5 1 1372 135 135 GLU H H 7.892 0.02 1 1373 135 135 GLU HA H 4.136 0.02 1 1374 135 135 GLU HB2 H 2.074 0.02 2 1375 135 135 GLU HB3 H 1.988 0.02 2 1376 135 135 GLU HG2 H 2.332 0.02 2 1377 135 135 GLU HG3 H 2.246 0.02 2 1378 135 135 GLU CA C 55.904 0.5 1 1379 135 135 GLU CB C 28.953 0.5 1 1380 135 135 GLU CG C 35.398 0.5 1 1381 135 135 GLU N N 121.678 0.5 1 1382 136 136 LEU H H 7.962 0.02 1 1383 136 136 LEU HA H 4.351 0.02 1 1384 136 136 LEU HB2 H 1.687 0.02 2 1385 136 136 LEU HB3 H 1.558 0.02 2 1386 136 136 LEU HG H 1.558 0.02 1 1387 136 136 LEU HD1 H 0.871 0.02 2 1388 136 136 LEU HD2 H 0.785 0.02 2 1389 136 136 LEU CA C 54.765 0.5 1 1390 136 136 LEU CB C 41.823 0.5 1 1391 136 136 LEU CG C 26.316 0.5 1 1392 136 136 LEU CD1 C 24.593 0.5 2 1393 136 136 LEU CD2 C 22.813 0.5 2 1394 136 136 LEU N N 121.357 0.5 1 1395 137 137 GLN H H 7.938 0.02 1 1396 137 137 GLN HA H 4.222 0.02 1 1397 137 137 GLN HB2 H 2.203 0.02 2 1398 137 137 GLN HB3 H 2.117 0.02 2 1399 137 137 GLN HG2 H 2.504 0.02 2 1400 137 137 GLN HG3 H 2.332 0.02 2 1401 137 137 GLN HE21 H 6.840 0.02 2 1402 137 137 GLN HE22 H 7.530 0.02 2 1403 137 137 GLN CA C 56.300 0.5 1 1404 137 137 GLN CB C 28.000 0.5 1 1405 137 137 GLN CG C 33.397 0.5 1 1406 137 137 GLN N N 124.866 0.5 1 1407 137 137 GLN NE2 N 112.940 0.5 1 1408 138 138 GLY H H 8.410 0.02 1 1409 138 138 GLY HA2 H 4.000 0.02 2 1410 138 138 GLY HA3 H 3.880 0.02 2 1411 138 138 GLY CA C 44.800 0.5 1 1412 138 138 GLY N N 111.054 0.5 1 1413 139 139 ARG H H 8.080 0.02 1 1414 139 139 ARG HA H 4.230 0.02 1 1415 139 139 ARG HB2 H 1.860 0.02 2 1416 139 139 ARG HB3 H 1.640 0.02 2 1417 139 139 ARG HG2 H 1.820 0.02 2 1418 139 139 ARG HG3 H 1.640 0.02 2 1419 139 139 ARG HD2 H 3.320 0.02 2 1420 139 139 ARG HD3 H 3.280 0.02 2 1421 139 139 ARG CA C 56.300 0.5 1 1422 139 139 ARG CB C 28.700 0.5 1 1423 139 139 ARG CG C 26.067 0.5 1 1424 139 139 ARG CD C 42.360 0.5 1 1425 139 139 ARG N N 116.366 0.5 1 1426 140 140 LEU H H 7.740 0.02 1 1427 140 140 LEU HA H 4.220 0.02 1 1428 140 140 LEU HB2 H 1.730 0.02 2 1429 140 140 LEU HB3 H 1.640 0.02 2 1430 140 140 LEU HG H 1.430 0.02 1 1431 140 140 LEU HD1 H 1.030 0.02 2 1432 140 140 LEU HD2 H 1.080 0.02 2 1433 140 140 LEU CA C 56.500 0.5 1 1434 140 140 LEU CB C 41.496 0.5 1 1435 140 140 LEU CG C 26.320 0.5 1 1436 140 140 LEU CD1 C 20.800 0.5 2 1437 140 140 LEU CD2 C 24.200 0.5 2 1438 140 140 LEU N N 126.460 0.5 1 1439 141 141 SER H H 8.430 0.02 1 1440 141 141 SER HA H 4.390 0.02 1 1441 141 141 SER HB2 H 4.210 0.02 2 1442 141 141 SER HB3 H 4.060 0.02 2 1443 141 141 SER CA C 56.384 0.5 1 1444 141 141 SER CB C 62.996 0.5 1 1445 141 141 SER N N 119.190 0.5 1 1446 142 142 PRO CA C 64.840 0.5 1 1447 142 142 PRO CB C 31.345 0.5 1 1448 142 142 PRO CG C 27.361 0.5 1 1449 142 142 PRO CD C 49.937 0.5 1 1450 143 143 VAL H H 7.780 0.02 1 1451 143 143 VAL HA H 4.100 0.02 1 1452 143 143 VAL HB H 2.080 0.02 1 1453 143 143 VAL HG1 H 1.000 0.02 2 1454 143 143 VAL HG2 H 0.870 0.02 2 1455 143 143 VAL CA C 63.800 0.5 1 1456 143 143 VAL CB C 31.400 0.5 1 1457 143 143 VAL CG1 C 20.860 0.5 2 1458 143 143 VAL CG2 C 20.860 0.5 2 1459 143 143 VAL N N 116.900 0.5 1 1460 144 144 ALA H H 7.970 0.02 1 1461 144 144 ALA HA H 4.390 0.02 1 1462 144 144 ALA HB H 1.680 0.02 1 1463 144 144 ALA CA C 54.200 0.5 1 1464 144 144 ALA CB C 18.361 0.5 1 1465 144 144 ALA N N 125.700 0.5 1 1466 145 145 GLU H H 8.600 0.02 1 1467 145 145 GLU HA H 3.920 0.02 1 1468 145 145 GLU HB2 H 2.210 0.02 2 1469 145 145 GLU HB3 H 2.080 0.02 2 1470 145 145 GLU HG2 H 2.380 0.02 2 1471 145 145 GLU HG3 H 2.203 0.02 2 1472 145 145 GLU CA C 59.400 0.5 1 1473 145 145 GLU CB C 28.400 0.5 1 1474 145 145 GLU CG C 35.800 0.5 1 1475 145 145 GLU N N 120.000 0.5 1 1476 146 146 GLU H H 8.070 0.02 1 1477 146 146 GLU HA H 4.050 0.02 1 1478 146 146 GLU HB2 H 2.200 0.02 2 1479 146 146 GLU HB3 H 2.170 0.02 2 1480 146 146 GLU HG2 H 2.410 0.02 2 1481 146 146 GLU HG3 H 2.210 0.02 2 1482 146 146 GLU CA C 58.422 0.5 1 1483 146 146 GLU CB C 28.172 0.5 1 1484 146 146 GLU CG C 35.398 0.5 1 1485 146 146 GLU N N 119.022 0.5 1 1486 147 147 PHE H H 8.161 0.02 1 1487 147 147 PHE HA H 4.523 0.02 1 1488 147 147 PHE HB2 H 3.363 0.02 2 1489 147 147 PHE HB3 H 3.320 0.02 2 1490 147 147 PHE CA C 58.592 0.5 1 1491 147 147 PHE CB C 40.344 0.5 1 1492 147 147 PHE N N 117.023 0.5 1 1493 148 148 ARG H H 8.325 0.02 1 1494 148 148 ARG HA H 4.136 0.02 1 1495 148 148 ARG HG2 H 1.644 0.02 2 1496 148 148 ARG HG3 H 1.558 0.02 2 1497 148 148 ARG CA C 57.700 0.5 1 1498 148 148 ARG CB C 30.400 0.5 1 1499 148 148 ARG CG C 26.414 0.5 1 1500 148 148 ARG CD C 42.700 0.5 1 1501 148 148 ARG N N 120.085 0.5 1 1502 149 149 ASP H H 8.270 0.02 1 1503 149 149 ASP HA H 4.310 0.02 1 1504 149 149 ASP HB2 H 2.547 0.02 2 1505 149 149 ASP HB3 H 2.761 0.02 2 1506 149 149 ASP CA C 54.600 0.5 1 1507 149 149 ASP CB C 41.000 0.5 1 1508 149 149 ASP N N 118.530 0.5 1 1509 150 150 ARG H H 7.860 0.02 1 1510 150 150 ARG HA H 4.180 0.02 1 1511 150 150 ARG CA C 56.850 0.5 1 1512 150 150 ARG CB C 30.451 0.5 1 1513 150 150 ARG N N 126.460 0.5 1 1514 152 152 ARG CA C 55.764 0.5 1 1515 152 152 ARG CB C 30.014 0.5 1 1516 152 152 ARG CG C 26.403 0.5 1 1517 152 152 ARG CD C 42.889 0.5 1 1518 153 153 THR H H 8.170 0.02 1 1519 153 153 THR HA H 4.350 0.02 1 1520 153 153 THR CA C 61.200 0.5 1 1521 153 153 THR CB C 69.400 0.5 1 1522 153 153 THR N N 115.832 0.5 1 1523 154 154 HIS H H 7.950 0.02 1 1524 154 154 HIS HA H 4.650 0.02 1 1525 154 154 HIS CA C 56.800 0.5 1 1526 154 154 HIS CB C 30.400 0.5 1 1527 154 154 HIS N N 129.120 0.5 1 1528 155 155 VAL H H 7.910 0.02 1 1529 155 155 VAL HA H 4.012 0.02 1 1530 155 155 VAL HB H 2.080 0.02 1 1531 155 155 VAL HG1 H 0.914 0.02 2 1532 155 155 VAL HG2 H 0.870 0.02 2 1533 155 155 VAL CA C 62.300 0.5 1 1534 155 155 VAL CB C 31.600 0.5 1 1535 155 155 VAL CG1 C 21.800 0.5 2 1536 155 155 VAL CG2 C 22.680 0.5 2 1537 155 155 VAL N N 120.620 0.5 1 1538 156 156 ASP H H 8.100 0.02 1 1539 156 156 ASP HA H 4.440 0.02 1 1540 156 156 ASP HB2 H 2.670 0.02 2 1541 156 156 ASP HB3 H 2.510 0.02 2 1542 156 156 ASP CA C 57.384 0.5 1 1543 156 156 ASP CB C 40.140 0.5 1 1544 156 156 ASP N N 121.147 0.5 1 1545 157 157 SER H H 8.700 0.02 1 1546 157 157 SER HA H 4.220 0.02 1 1547 157 157 SER HB2 H 4.010 0.02 2 1548 157 157 SER HB3 H 3.922 0.02 2 1549 157 157 SER CA C 61.500 0.5 1 1550 157 157 SER CB C 62.500 0.5 1 1551 157 157 SER N N 116.366 0.5 1 1552 158 158 LEU H H 7.790 0.02 1 1553 158 158 LEU HA H 4.520 0.02 1 1554 158 158 LEU HB2 H 1.690 0.02 2 1555 158 158 LEU HB3 H 1.560 0.02 2 1556 158 158 LEU HG H 1.600 0.02 1 1557 158 158 LEU HD1 H 0.960 0.02 2 1558 158 158 LEU HD2 H 0.355 0.02 2 1559 158 158 LEU CA C 57.140 0.5 1 1560 158 158 LEU CB C 40.900 0.5 1 1561 158 158 LEU CG C 26.620 0.5 1 1562 158 158 LEU CD1 C 21.650 0.5 2 1563 158 158 LEU CD2 C 24.240 0.5 2 1564 158 158 LEU N N 123.272 0.5 1 1565 159 159 ARG H H 8.650 0.02 1 1566 159 159 ARG HA H 4.530 0.02 1 1567 159 159 ARG HB2 H 1.900 0.02 2 1568 159 159 ARG HB3 H 1.730 0.02 2 1569 159 159 ARG HG2 H 1.510 0.02 2 1570 159 159 ARG HG3 H 1.470 0.02 2 1571 159 159 ARG HD2 H 3.150 0.02 2 1572 159 159 ARG HD3 H 3.110 0.02 2 1573 159 159 ARG CA C 56.800 0.5 1 1574 159 159 ARG CB C 29.000 0.5 1 1575 159 159 ARG CG C 26.627 0.5 1 1576 159 159 ARG CD C 43.200 0.5 1 1577 159 159 ARG N N 119.553 0.5 1 1578 160 160 THR H H 8.100 0.02 1 1579 160 160 THR HA H 3.880 0.02 1 1580 160 160 THR HB H 4.350 0.02 1 1581 160 160 THR HG2 H 1.260 0.02 1 1582 160 160 THR CA C 65.300 0.5 1 1583 160 160 THR CB C 68.900 0.5 1 1584 160 160 THR CG2 C 21.160 0.5 1 1585 160 160 THR N N 115.304 0.5 1 1586 161 161 GLN H H 8.070 0.02 1 1587 161 161 GLN HA H 4.220 0.02 1 1588 161 161 GLN HB2 H 2.030 0.02 2 1589 161 161 GLN HB3 H 1.644 0.02 2 1590 161 161 GLN HG2 H 2.550 0.02 2 1591 161 161 GLN HG3 H 2.280 0.02 2 1592 161 161 GLN CA C 56.900 0.5 1 1593 161 161 GLN CB C 26.160 0.5 1 1594 161 161 GLN CG C 33.200 0.5 1 1595 161 161 GLN N N 122.440 0.5 1 1596 162 162 LEU H H 7.980 0.02 1 1597 162 162 LEU HA H 4.220 0.02 1 1598 162 162 LEU HB2 H 1.600 0.02 2 1599 162 162 LEU HB3 H 1.560 0.02 2 1600 162 162 LEU HG H 1.040 0.02 1 1601 162 162 LEU HD1 H 1.000 0.02 2 1602 162 162 LEU HD2 H 0.870 0.02 2 1603 162 162 LEU CA C 56.500 0.5 1 1604 162 162 LEU CB C 41.000 0.5 1 1605 162 162 LEU CG C 25.200 0.5 1 1606 162 162 LEU CD1 C 22.400 0.5 2 1607 162 162 LEU CD2 C 22.400 0.5 2 1608 162 162 LEU N N 115.398 0.5 1 1609 163 163 ALA H H 7.460 0.02 1 1610 163 163 ALA HA H 4.260 0.02 1 1611 163 163 ALA HB H 1.527 0.02 1 1612 163 163 ALA CA C 56.560 0.5 1 1613 163 163 ALA CB C 15.000 0.5 1 1614 163 163 ALA N N 122.210 0.5 1 1615 164 164 PRO CA C 62.800 0.5 1 1616 164 164 PRO CB C 31.500 0.5 1 1617 164 164 PRO CG C 26.760 0.5 1 1618 164 164 PRO CD C 50.182 0.5 1 1619 165 165 HIS H H 8.060 0.02 1 1620 165 165 HIS HA H 4.390 0.02 1 1621 165 165 HIS HB2 H 3.400 0.02 2 1622 165 165 HIS HB3 H 3.060 0.02 2 1623 165 165 HIS CA C 56.000 0.5 1 1624 165 165 HIS CB C 28.400 0.5 1 1625 165 165 HIS N N 120.080 0.5 1 1626 166 166 SER H H 8.040 0.02 1 1627 166 166 SER HA H 4.300 0.02 1 1628 166 166 SER HB2 H 3.870 0.02 2 1629 166 166 SER HB3 H 3.820 0.02 2 1630 166 166 SER CA C 61.200 0.5 1 1631 166 166 SER CB C 63.000 0.5 1 1632 166 166 SER N N 116.366 0.5 1 1633 167 167 GLU H H 7.760 0.02 1 1634 167 167 GLU HA H 3.922 0.02 1 1635 167 167 GLU HB2 H 2.070 0.02 2 1636 167 167 GLU HB3 H 1.990 0.02 2 1637 167 167 GLU CA C 62.800 0.5 1 1638 167 167 GLU CB C 31.100 0.5 1 1639 167 167 GLU N N 121.678 0.5 1 1640 168 168 GLN H H 8.450 0.02 1 1641 168 168 GLN HA H 4.320 0.02 1 1642 168 168 GLN HB2 H 2.074 0.02 2 1643 168 168 GLN HB3 H 1.980 0.02 2 1644 168 168 GLN HG2 H 2.420 0.02 2 1645 168 168 GLN HG3 H 2.370 0.02 2 1646 168 168 GLN CA C 55.300 0.5 1 1647 168 168 GLN CB C 28.200 0.5 1 1648 168 168 GLN CG C 33.000 0.5 1 1649 168 168 GLN N N 121.147 0.5 1 1650 170 170 ARG CA C 58.370 0.5 1 1651 170 170 ARG CB C 28.900 0.5 1 1652 170 170 ARG CG C 26.800 0.5 1 1653 170 170 ARG CD C 42.830 0.5 1 1654 171 171 GLU H H 7.730 0.02 1 1655 171 171 GLU HA H 4.140 0.02 1 1656 171 171 GLU HB2 H 2.200 0.02 2 1657 171 171 GLU HB3 H 1.990 0.02 2 1658 171 171 GLU HG2 H 2.380 0.02 2 1659 171 171 GLU HG3 H 2.330 0.02 2 1660 171 171 GLU CA C 57.300 0.5 1 1661 171 171 GLU CB C 29.200 0.5 1 1662 171 171 GLU CG C 35.300 0.5 1 1663 171 171 GLU N N 117.960 0.5 1 1664 172 172 SER H H 8.320 0.02 1 1665 172 172 SER HA H 4.270 0.02 1 1666 172 172 SER HB2 H 3.970 0.02 2 1667 172 172 SER HB3 H 3.920 0.02 2 1668 172 172 SER CA C 58.000 0.5 1 1669 172 172 SER CB C 63.000 0.5 1 1670 172 172 SER N N 116.366 0.5 1 1671 173 173 LEU H H 8.260 0.02 1 1672 173 173 LEU HA H 4.352 0.02 1 1673 173 173 LEU HB2 H 1.690 0.02 2 1674 173 173 LEU HB3 H 1.600 0.02 2 1675 173 173 LEU HG H 1.650 0.02 1 1676 173 173 LEU HD1 H 0.910 0.02 2 1677 173 173 LEU HD2 H 0.830 0.02 2 1678 173 173 LEU CA C 54.540 0.5 1 1679 173 173 LEU CB C 41.400 0.5 1 1680 173 173 LEU CG C 26.360 0.5 1 1681 173 173 LEU CD1 C 24.250 0.5 2 1682 173 173 LEU CD2 C 22.800 0.5 2 1683 173 173 LEU N N 124.866 0.5 1 1684 174 174 ALA H H 8.210 0.02 1 1685 174 174 ALA HA H 4.270 0.02 1 1686 174 174 ALA HB H 1.340 0.02 1 1687 174 174 ALA CA C 55.400 0.5 1 1688 174 174 ALA CB C 17.200 0.5 1 1689 174 174 ALA N N 126.460 0.5 1 1690 175 175 GLN H H 8.450 0.02 1 1691 175 175 GLN HA H 4.060 0.02 1 1692 175 175 GLN HB2 H 2.280 0.02 2 1693 175 175 GLN HB3 H 2.110 0.02 2 1694 175 175 GLN HG2 H 2.630 0.02 2 1695 175 175 GLN HG3 H 2.420 0.02 2 1696 175 175 GLN HE21 H 6.800 0.02 2 1697 175 175 GLN HE22 H 7.540 0.02 2 1698 175 175 GLN CA C 58.600 0.5 1 1699 175 175 GLN CB C 27.400 0.5 1 1700 175 175 GLN CG C 33.000 0.5 1 1701 175 175 GLN N N 117.430 0.5 1 1702 175 175 GLN NE2 N 112.400 0.5 1 1703 176 176 ARG H H 8.070 0.02 1 1704 176 176 ARG HA H 4.180 0.02 1 1705 176 176 ARG HB2 H 2.200 0.02 2 1706 176 176 ARG HB3 H 1.870 0.02 2 1707 176 176 ARG HG2 H 1.640 0.02 2 1708 176 176 ARG HG3 H 1.470 0.02 2 1709 176 176 ARG HD2 H 3.230 0.02 2 1710 176 176 ARG HD3 H 3.150 0.02 2 1711 176 176 ARG CA C 56.900 0.5 1 1712 176 176 ARG CB C 29.300 0.5 1 1713 176 176 ARG CG C 27.580 0.5 1 1714 176 176 ARG CD C 42.400 0.5 1 1715 176 176 ARG N N 119.550 0.5 1 1716 177 177 LEU H H 8.330 0.02 1 1717 177 177 LEU HA H 4.180 0.02 1 1718 177 177 LEU HB2 H 2.110 0.02 2 1719 177 177 LEU HB3 H 2.030 0.02 2 1720 177 177 LEU HG H 1.000 0.02 1 1721 177 177 LEU HD1 H 0.910 0.02 2 1722 177 177 LEU HD2 H 0.780 0.02 2 1723 177 177 LEU CA C 56.900 0.5 1 1724 177 177 LEU CB C 40.100 0.5 1 1725 177 177 LEU CG C 26.200 0.5 1 1726 177 177 LEU CD1 C 24.200 0.5 2 1727 177 177 LEU CD2 C 21.900 0.5 2 1728 177 177 LEU N N 115.840 0.5 1 1729 178 178 ALA H H 8.570 0.02 1 1730 178 178 ALA HA H 3.880 0.02 1 1731 178 178 ALA HB H 1.515 0.02 1 1732 178 178 ALA CA C 54.600 0.5 1 1733 178 178 ALA CB C 16.900 0.5 1 1734 178 178 ALA N N 121.220 0.5 1 1735 179 179 GLU H H 7.680 0.02 1 1736 179 179 GLU HA H 4.180 0.02 1 1737 179 179 GLU HB2 H 2.250 0.02 2 1738 179 179 GLU HB3 H 2.030 0.02 2 1739 179 179 GLU HG2 H 2.675 0.02 2 1740 179 179 GLU HG3 H 2.420 0.02 2 1741 179 179 GLU CA C 56.600 0.5 1 1742 179 179 GLU CB C 29.000 0.5 1 1743 179 179 GLU CG C 35.800 0.5 1 1744 179 179 GLU N N 118.490 0.5 1 1745 180 180 LEU H H 7.680 0.02 1 1746 180 180 LEU HA H 4.265 0.02 1 1747 180 180 LEU HB2 H 1.730 0.02 2 1748 180 180 LEU HB3 H 1.520 0.02 2 1749 180 180 LEU HG H 1.560 0.02 1 1750 180 180 LEU HD1 H 0.870 0.02 2 1751 180 180 LEU HD2 H 0.780 0.02 2 1752 180 180 LEU CA C 55.020 0.5 1 1753 180 180 LEU CB C 41.100 0.5 1 1754 180 180 LEU CG C 26.100 0.5 1 1755 180 180 LEU CD1 C 24.300 0.5 2 1756 180 180 LEU CD2 C 22.800 0.5 2 1757 180 180 LEU N N 117.730 0.5 1 1758 181 181 LYS H H 7.510 0.02 1 1759 181 181 LYS HA H 4.480 0.02 1 1760 181 181 LYS HB2 H 1.945 0.02 2 1761 181 181 LYS HB3 H 1.773 0.02 2 1762 181 181 LYS CA C 61.900 0.5 1 1763 181 181 LYS CB C 31.800 0.5 1 1764 181 181 LYS N N 117.400 0.5 1 1765 182 182 SER H H 7.920 0.02 1 1766 182 182 SER HA H 4.350 0.02 1 1767 182 182 SER HB2 H 3.880 0.02 2 1768 182 182 SER HB3 H 3.790 0.02 2 1769 182 182 SER CA C 58.000 0.5 1 1770 182 182 SER CB C 63.300 0.5 1 1771 182 182 SER N N 114.010 0.5 1 1772 183 183 ASN H H 8.250 0.02 1 1773 183 183 ASN HA H 4.310 0.02 1 1774 183 183 ASN HB2 H 3.020 0.02 2 1775 183 183 ASN HB3 H 2.890 0.02 2 1776 183 183 ASN CA C 55.115 0.5 1 1777 183 183 ASN CB C 37.838 0.5 1 1778 183 183 ASN N N 123.040 0.5 1 1779 184 184 PRO CA C 63.180 0.5 1 1780 184 184 PRO CB C 31.400 0.5 1 1781 184 184 PRO CG C 26.400 0.5 1 1782 184 184 PRO CD C 50.000 0.5 1 1783 185 185 THR H H 8.150 0.02 1 1784 185 185 THR HA H 4.270 0.02 1 1785 185 185 THR HB H 4.222 0.02 1 1786 185 185 THR HG2 H 1.172 0.02 1 1787 185 185 THR CA C 61.200 0.5 1 1788 185 185 THR CB C 69.100 0.5 1 1789 185 185 THR CG2 C 21.000 0.5 1 1790 185 185 THR N N 114.240 0.5 1 1791 186 186 LEU H H 8.430 0.02 1 1792 186 186 LEU HA H 4.350 0.02 1 1793 186 186 LEU HB2 H 1.902 0.02 2 1794 186 186 LEU HD1 H 1.260 0.02 2 1795 186 186 LEU HD2 H 1.170 0.02 2 1796 186 186 LEU CA C 55.000 0.5 1 1797 186 186 LEU CB C 41.000 0.5 1 1798 186 186 LEU CG C 26.200 0.5 1 1799 186 186 LEU CD1 C 24.380 0.5 2 1800 186 186 LEU CD2 C 21.100 0.5 2 1801 186 186 LEU N N 123.270 0.5 1 1802 187 187 ASN H H 8.370 0.02 1 1803 187 187 ASN HA H 4.530 0.02 1 1804 187 187 ASN HB2 H 2.810 0.02 2 1805 187 187 ASN HB3 H 2.680 0.02 2 1806 187 187 ASN CA C 53.400 0.5 1 1807 187 187 ASN CB C 37.900 0.5 1 1808 187 187 ASN N N 119.020 0.5 1 1809 188 188 GLU H H 7.870 0.02 1 1810 188 188 GLU HA H 4.000 0.02 1 1811 188 188 GLU HB2 H 1.990 0.02 2 1812 188 188 GLU HB3 H 1.750 0.02 2 1813 188 188 GLU HG2 H 2.290 0.02 2 1814 188 188 GLU HG3 H 2.030 0.02 2 1815 188 188 GLU CA C 61.700 0.5 1 1816 188 188 GLU CB C 32.100 0.5 1 1817 188 188 GLU CG C 35.330 0.5 1 1818 188 188 GLU N N 123.270 0.5 1 1819 189 189 TYR H H 8.590 0.02 1 1820 189 189 TYR HA H 4.440 0.02 1 1821 189 189 TYR HB2 H 2.890 0.02 2 1822 189 189 TYR HB3 H 2.760 0.02 2 1823 189 189 TYR HD1 H 6.910 0.02 3 1824 189 189 TYR HD2 H 6.860 0.02 3 1825 189 189 TYR HE1 H 6.580 0.02 3 1826 189 189 TYR HE2 H 6.530 0.02 3 1827 189 189 TYR CA C 57.120 0.5 1 1828 189 189 TYR CB C 40.000 0.5 1 1829 189 189 TYR N N 122.210 0.5 1 1830 190 190 HIS H H 8.420 0.02 1 1831 190 190 HIS HA H 4.780 0.02 1 1832 190 190 HIS CA C 56.000 0.5 1 1833 190 190 HIS CB C 29.400 0.5 1 1834 190 190 HIS N N 124.866 0.5 1 1835 191 191 SER H H 8.270 0.02 1 1836 191 191 SER HA H 4.140 0.02 1 1837 191 191 SER HB2 H 3.920 0.02 2 1838 191 191 SER HB3 H 3.840 0.02 2 1839 191 191 SER CA C 58.140 0.5 1 1840 191 191 SER CB C 63.140 0.5 1 1841 191 191 SER N N 117.429 0.5 1 1842 192 192 SER H H 8.010 0.02 1 1843 192 192 SER HA H 4.730 0.02 1 1844 192 192 SER HB2 H 3.960 0.02 2 1845 192 192 SER HB3 H 3.840 0.02 2 1846 192 192 SER CA C 59.020 0.5 1 1847 192 192 SER CB C 63.000 0.5 1 1848 192 192 SER N N 124.335 0.5 1 1849 193 193 ALA H H 8.100 0.02 1 1850 193 193 ALA HA H 4.310 0.02 1 1851 193 193 ALA HB H 1.470 0.02 1 1852 193 193 ALA CA C 52.300 0.5 1 1853 193 193 ALA CB C 18.000 0.5 1 1854 193 193 ALA N N 125.930 0.5 1 1855 194 194 LYS H H 7.860 0.02 1 1856 194 194 LYS HA H 4.220 0.02 1 1857 194 194 LYS CA C 56.600 0.5 1 1858 194 194 LYS CB C 33.000 0.5 1 1859 194 194 LYS N N 126.460 0.5 1 1860 195 195 SER H H 8.240 0.02 1 1861 195 195 SER HA H 4.430 0.02 1 1862 195 195 SER HB2 H 4.010 0.02 2 1863 195 195 SER HB3 H 3.880 0.02 2 1864 195 195 SER CA C 58.499 0.5 1 1865 195 195 SER CB C 63.129 0.5 1 1866 195 195 SER N N 117.429 0.5 1 1867 196 196 HIS H H 8.044 0.02 1 1868 196 196 HIS HA H 4.222 0.02 1 1869 196 196 HIS HB2 H 3.148 0.02 2 1870 196 196 HIS HB3 H 3.105 0.02 2 1871 196 196 HIS CA C 55.743 0.5 1 1872 196 196 HIS CB C 28.566 0.5 1 1873 196 196 HIS N N 122.440 0.5 1 1874 197 197 LEU H H 8.044 0.02 1 1875 197 197 LEU HA H 4.179 0.02 1 1876 197 197 LEU HB2 H 1.773 0.02 2 1877 197 197 LEU HB3 H 1.644 0.02 2 1878 197 197 LEU HG H 1.558 0.02 1 1879 197 197 LEU HD1 H 1.043 0.02 2 1880 197 197 LEU HD2 H 0.828 0.02 2 1881 197 197 LEU CA C 54.540 0.5 1 1882 197 197 LEU CB C 40.040 0.5 1 1883 197 197 LEU CG C 26.000 0.5 1 1884 197 197 LEU CD1 C 24.010 0.5 2 1885 197 197 LEU CD2 C 22.367 0.5 2 1886 197 197 LEU N N 117.429 0.5 1 1887 198 198 LYS H H 7.510 0.02 1 1888 198 198 LYS HA H 4.140 0.02 1 1889 198 198 LYS HB2 H 1.990 0.02 2 1890 198 198 LYS HB3 H 1.860 0.02 2 1891 198 198 LYS HG2 H 1.690 0.02 2 1892 198 198 LYS HG3 H 1.430 0.02 2 1893 198 198 LYS HD2 H 1.680 0.02 2 1894 198 198 LYS HD3 H 1.640 0.02 2 1895 198 198 LYS CA C 57.600 0.5 1 1896 198 198 LYS CB C 32.000 0.5 1 1897 198 198 LYS CG C 25.000 0.5 1 1898 198 198 LYS CD C 29.300 0.5 1 1899 198 198 LYS N N 117.430 0.5 1 1900 199 199 SER H H 7.930 0.02 1 1901 199 199 SER HA H 4.310 0.02 1 1902 199 199 SER HB2 H 4.050 0.02 2 1903 199 199 SER HB3 H 3.836 0.02 2 1904 199 199 SER CA C 62.000 0.5 1 1905 199 199 SER CB C 63.600 0.5 1 1906 199 199 SER N N 114.315 0.5 1 1907 200 200 LEU H H 8.170 0.02 1 1908 200 200 LEU HA H 4.260 0.02 1 1909 200 200 LEU HB2 H 1.710 0.02 2 1910 200 200 LEU HB3 H 1.570 0.02 2 1911 200 200 LEU HG H 1.620 0.02 1 1912 200 200 LEU HD1 H 0.870 0.02 2 1913 200 200 LEU HD2 H 0.780 0.02 2 1914 200 200 LEU CA C 55.200 0.5 1 1915 200 200 LEU CB C 41.200 0.5 1 1916 200 200 LEU CG C 26.300 0.5 1 1917 200 200 LEU CD1 C 24.100 0.5 2 1918 200 200 LEU CD2 C 22.700 0.5 2 1919 200 200 LEU N N 124.335 0.5 1 1920 201 201 GLY H H 8.290 0.02 1 1921 201 201 GLY HA2 H 4.000 0.02 2 1922 201 201 GLY HA3 H 3.880 0.02 2 1923 201 201 GLY CA C 44.700 0.5 1 1924 201 201 GLY N N 109.990 0.5 1 1925 202 202 GLU H H 7.750 0.02 1 1926 202 202 GLU HA H 4.220 0.02 1 1927 202 202 GLU HB2 H 2.630 0.02 2 1928 202 202 GLU HB3 H 2.370 0.02 2 1929 202 202 GLU HG2 H 3.060 0.02 2 1930 202 202 GLU HG3 H 3.020 0.02 2 1931 202 202 GLU CA C 56.600 0.5 1 1932 202 202 GLU CB C 32.800 0.5 1 1933 202 202 GLU CG C 36.000 0.5 1 1934 202 202 GLU N N 126.460 0.5 1 1935 203 203 LYS CA C 55.775 0.5 1 1936 203 203 LYS CB C 32.283 0.5 1 1937 203 203 LYS CG C 24.179 0.5 1 1938 203 203 LYS CD C 28.498 0.5 1 1939 203 203 LYS CE C 41.613 0.5 1 1940 204 204 ALA H H 8.180 0.02 1 1941 204 204 ALA HA H 4.310 0.02 1 1942 204 204 ALA HB H 1.380 0.02 1 1943 204 204 ALA CA C 52.000 0.5 1 1944 204 204 ALA CB C 18.400 0.5 1 1945 204 204 ALA N N 125.390 0.5 1 1946 205 205 ARG H H 8.350 0.02 1 1947 205 205 ARG HA H 4.270 0.02 1 1948 205 205 ARG HB2 H 2.070 0.02 2 1949 205 205 ARG HB3 H 1.900 0.02 2 1950 205 205 ARG HG2 H 1.690 0.02 2 1951 205 205 ARG HG3 H 1.600 0.02 2 1952 205 205 ARG HD2 H 3.320 0.02 2 1953 205 205 ARG HD3 H 3.230 0.02 2 1954 205 205 ARG CA C 56.384 0.5 1 1955 205 205 ARG CB C 29.193 0.5 1 1956 205 205 ARG CG C 26.400 0.5 1 1957 205 205 ARG CD C 42.350 0.5 1 1958 205 205 ARG N N 121.150 0.5 1 1959 206 206 PRO CA C 62.600 0.5 1 1960 206 206 PRO CB C 31.400 0.5 1 1961 206 206 PRO CG C 26.742 0.5 1 1962 206 206 PRO CD C 50.046 0.5 1 1963 207 207 ALA H H 8.400 0.02 1 1964 207 207 ALA HA H 4.308 0.02 1 1965 207 207 ALA HB H 1.386 0.02 1 1966 207 207 ALA CA C 51.700 0.5 1 1967 207 207 ALA CB C 18.200 0.5 1 1968 207 207 ALA N N 125.400 0.5 1 1969 208 208 LEU H H 8.180 0.02 1 1970 208 208 LEU HA H 4.480 0.02 1 1971 208 208 LEU HB2 H 1.820 0.02 2 1972 208 208 LEU HB3 H 1.630 0.02 2 1973 208 208 LEU HG H 1.644 0.02 1 1974 208 208 LEU HD1 H 0.910 0.02 2 1975 208 208 LEU HD2 H 0.830 0.02 2 1976 208 208 LEU CA C 55.100 0.5 1 1977 208 208 LEU CB C 41.200 0.5 1 1978 208 208 LEU CG C 26.300 0.5 1 1979 208 208 LEU CD1 C 24.400 0.5 2 1980 208 208 LEU CD2 C 22.600 0.5 2 1981 208 208 LEU N N 121.680 0.5 1 1982 209 209 GLU H H 8.380 0.02 1 1983 209 209 GLU HA H 4.180 0.02 1 1984 209 209 GLU HB2 H 2.070 0.02 2 1985 209 209 GLU HB3 H 1.870 0.02 2 1986 209 209 GLU HG2 H 2.420 0.02 2 1987 209 209 GLU HG3 H 2.230 0.02 2 1988 209 209 GLU CA C 56.477 0.5 1 1989 209 209 GLU CB C 29.250 0.5 1 1990 209 209 GLU CG C 35.380 0.5 1 1991 209 209 GLU N N 121.147 0.5 1 1992 210 210 ASP H H 8.280 0.02 1 1993 210 210 ASP HA H 4.260 0.02 1 1994 210 210 ASP HB2 H 2.890 0.02 2 1995 210 210 ASP HB3 H 2.720 0.02 2 1996 210 210 ASP CA C 55.000 0.5 1 1997 210 210 ASP CB C 37.200 0.5 1 1998 210 210 ASP N N 121.147 0.5 1 1999 211 211 LEU H H 8.640 0.02 1 2000 211 211 LEU HA H 4.220 0.02 1 2001 211 211 LEU HB2 H 1.820 0.02 2 2002 211 211 LEU HB3 H 1.770 0.02 2 2003 211 211 LEU HG H 1.472 0.02 1 2004 211 211 LEU HD1 H 0.920 0.02 2 2005 211 211 LEU HD2 H 0.699 0.02 2 2006 211 211 LEU CA C 57.400 0.5 1 2007 211 211 LEU CB C 39.430 0.5 1 2008 211 211 LEU CG C 26.400 0.5 1 2009 211 211 LEU CD1 C 25.500 0.5 2 2010 211 211 LEU CD2 C 25.500 0.5 2 2011 211 211 LEU N N 122.210 0.5 1 2012 212 212 ARG H H 7.910 0.02 1 2013 212 212 ARG HA H 4.220 0.02 1 2014 212 212 ARG HB2 H 2.160 0.02 2 2015 212 212 ARG HB3 H 2.070 0.02 2 2016 212 212 ARG HG2 H 2.335 0.02 2 2017 212 212 ARG HG3 H 1.590 0.02 2 2018 212 212 ARG HD3 H 2.890 0.02 2 2019 212 212 ARG CA C 57.400 0.5 1 2020 212 212 ARG CB C 29.600 0.5 1 2021 212 212 ARG CG C 32.333 0.5 1 2022 212 212 ARG CD C 41.400 0.5 1 2023 212 212 ARG N N 119.550 0.5 1 2024 213 213 HIS CA C 56.200 0.5 1 2025 213 213 HIS CB C 31.900 0.5 1 2026 214 214 SER H H 8.140 0.02 1 2027 214 214 SER HA H 4.265 0.02 1 2028 214 214 SER HB2 H 3.920 0.02 2 2029 214 214 SER HB3 H 3.840 0.02 2 2030 214 214 SER CA C 61.100 0.5 1 2031 214 214 SER CB C 63.100 0.5 1 2032 214 214 SER N N 116.366 0.5 1 2033 215 215 LEU H H 7.890 0.02 1 2034 215 215 LEU HA H 4.730 0.02 1 2035 215 215 LEU HB2 H 1.560 0.02 2 2036 215 215 LEU HB3 H 1.560 0.02 2 2037 215 215 LEU HG H 1.560 0.02 1 2038 215 215 LEU HD1 H 0.860 0.02 2 2039 215 215 LEU HD2 H 0.810 0.02 2 2040 215 215 LEU CA C 54.900 0.5 1 2041 215 215 LEU CB C 42.000 0.5 1 2042 215 215 LEU CG C 26.300 0.5 1 2043 215 215 LEU CD1 C 24.400 0.5 2 2044 215 215 LEU CD2 C 22.600 0.5 2 2045 215 215 LEU N N 130.565 0.5 1 2046 216 216 MET H H 7.780 0.02 1 2047 216 216 MET HA H 4.270 0.02 1 2048 216 216 MET HB2 H 2.070 0.02 2 2049 216 216 MET HB3 H 1.900 0.02 2 2050 216 216 MET HG2 H 2.590 0.02 2 2051 216 216 MET HG3 H 2.546 0.02 2 2052 216 216 MET HE H 1.130 0.02 1 2053 216 216 MET CA C 56.400 0.5 1 2054 216 216 MET CB C 33.100 0.5 1 2055 216 216 MET CG C 31.500 0.5 1 2056 216 216 MET CE C 28.030 0.5 1 2057 216 216 MET N N 126.232 0.5 1 stop_ save_