data_7142 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; rabbit prion protein (91-228) ; _BMRB_accession_number 7142 _BMRB_flat_file_name bmr7142.str _Entry_type original _Submission_date 2006-06-04 _Accession_date 2006-06-05 _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 Li Jun . . 2 Mei Fanghua . . 3 Xiao Gengfu . . 4 Guo Chenyun . . 5 Lin Donghai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 800 "13C chemical shifts" 532 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-23 update BMRB 'update entry citation' 2007-06-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of rabbit prion protein (91-228)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17415669 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Jun . . 2 Mei Fanghua . . 3 Xiao Gengfu . . 4 Guo Chenyun . . 5 Lin Donghai . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 181 _Page_last 181 _Year 2007 _Details . loop_ _Keyword 'prion protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'prion protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'prion protein' $prion_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_prion_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'prion protein' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; QGGTHNQWGKPSKPKTSMKH VAGAAAAGAVVGGLGGYMLG SAMSRPLIHFGNDYEDRYYR ENMYRYPNQVYYRPVDQYSN QNSFVHDCVNITVKQHTVTT TTKGENFTETDIKIMERVVE QMCITQYQQESQAAYQRA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 91 GLN 2 92 GLY 3 93 GLY 4 94 THR 5 95 HIS 6 96 ASN 7 97 GLN 8 98 TRP 9 99 GLY 10 100 LYS 11 101 PRO 12 102 SER 13 103 LYS 14 104 PRO 15 105 LYS 16 106 THR 17 107 SER 18 108 MET 19 109 LYS 20 110 HIS 21 111 VAL 22 112 ALA 23 113 GLY 24 114 ALA 25 115 ALA 26 116 ALA 27 117 ALA 28 118 GLY 29 119 ALA 30 120 VAL 31 121 VAL 32 122 GLY 33 123 GLY 34 124 LEU 35 125 GLY 36 126 GLY 37 127 TYR 38 128 MET 39 129 LEU 40 130 GLY 41 131 SER 42 132 ALA 43 133 MET 44 134 SER 45 135 ARG 46 136 PRO 47 137 LEU 48 138 ILE 49 139 HIS 50 140 PHE 51 141 GLY 52 142 ASN 53 143 ASP 54 144 TYR 55 145 GLU 56 146 ASP 57 147 ARG 58 148 TYR 59 149 TYR 60 150 ARG 61 151 GLU 62 152 ASN 63 153 MET 64 154 TYR 65 155 ARG 66 156 TYR 67 157 PRO 68 158 ASN 69 159 GLN 70 160 VAL 71 161 TYR 72 162 TYR 73 163 ARG 74 164 PRO 75 165 VAL 76 166 ASP 77 167 GLN 78 168 TYR 79 169 SER 80 170 ASN 81 171 GLN 82 172 ASN 83 173 SER 84 174 PHE 85 175 VAL 86 176 HIS 87 177 ASP 88 178 CYS 89 179 VAL 90 180 ASN 91 181 ILE 92 182 THR 93 183 VAL 94 184 LYS 95 185 GLN 96 186 HIS 97 187 THR 98 188 VAL 99 189 THR 100 190 THR 101 191 THR 102 192 THR 103 193 LYS 104 194 GLY 105 195 GLU 106 196 ASN 107 197 PHE 108 198 THR 109 199 GLU 110 200 THR 111 201 ASP 112 202 ILE 113 203 LYS 114 204 ILE 115 205 MET 116 206 GLU 117 207 ARG 118 208 VAL 119 209 VAL 120 210 GLU 121 211 GLN 122 212 MET 123 213 CYS 124 214 ILE 125 215 THR 126 216 GLN 127 217 TYR 128 218 GLN 129 219 GLN 130 220 GLU 131 221 SER 132 222 GLN 133 223 ALA 134 224 ALA 135 225 TYR 136 226 GLN 137 227 ARG 138 228 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-07-28 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 15394 "rpp mutation S173N" 100.00 138 98.55 99.28 7.14e-97 BMRB 15399 "rpp I214V" 100.00 138 99.28 100.00 1.53e-98 BMRB 16328 prion_protein 100.00 145 99.28 100.00 5.69e-98 BMRB 16616 prion 100.00 145 99.28 100.00 1.83e-98 BMRB 6953 entity 100.00 138 100.00 100.00 8.10e-99 PDB 1TPX "Ovine Recombinant Prp(114-234), Arq Variant In Complex With The Fab Of The Vrq14 Antibody" 85.51 121 97.46 99.15 1.57e-79 PDB 1TQB "Ovine Recombinant Prp(114-234), Vrq Variant In Complex With The Fab Of The Vrq14 Antibody" 73.19 102 97.03 99.01 5.30e-67 PDB 1TQC "Ovine Recombinant Prp(114-234), Arr Variant In Complex With The Vrq14 Fab Fragment (Igg2a)" 73.19 102 97.03 100.00 4.60e-67 PDB 2FJ3 "Nmr Solution Of Rabbit Prion Protein (91-228)" 100.00 138 100.00 100.00 8.10e-99 PDB 2JOH "Nmr Structure Of Rabbit Prion Protein Mutation S173n" 100.00 148 99.28 100.00 3.60e-98 PDB 2JOM "Nmr Structure Of Rabbit Prion Protein Mutation I214v" 100.00 148 99.28 100.00 1.64e-98 PDB 3O79 "Crystal Structure Of Wild-Type Rabbit Prp 126-230" 75.36 105 100.00 100.00 2.65e-71 PDB 4HLS "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n)" 79.71 132 99.09 100.00 8.71e-75 PDB 4HMM "Crystal Structure Of Mutant Rabbit Prp 121-230 (s174n)" 79.71 132 99.09 100.00 8.71e-75 PDB 4HMR "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n/s174n)" 79.71 132 98.18 100.00 3.56e-74 EMBL CBK44083 "prnp [Sciurus lis]" 93.48 180 96.90 100.00 1.40e-88 GB AAC48697 "major prion protein [Oryctolagus cuniculus]" 100.00 252 100.00 100.00 7.22e-97 GB AAD01554 "prion protein [Oryctolagus cuniculus]" 99.28 254 100.00 100.00 4.31e-96 GB ABL75505 "prion protein, partial [Oryctolagus cuniculus]" 100.00 244 100.00 100.00 7.60e-97 GB AEM44421 "prion protein [Ovis aries]" 70.29 97 97.94 98.97 7.28e-64 GB AEM44422 "prion protein [Ovis aries]" 70.29 97 97.94 98.97 1.56e-63 REF NP_001075490 "major prion protein precursor [Oryctolagus cuniculus]" 99.28 254 100.00 100.00 4.31e-96 REF XP_008254357 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 100.00 252 100.00 100.00 7.22e-97 REF XP_008254358 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 100.00 252 100.00 100.00 7.22e-97 SP Q95211 "RecName: Full=Major prion protein; Short=PrP; AltName: Full=PrP27-30; AltName: Full=PrP33-35C; AltName: CD_antigen=CD230; Flags" 100.00 252 100.00 100.00 7.22e-97 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $prion_protein Rabbit 9986 Eukaryota Metazoa Oryctolagus cuniculus 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 $prion_protein 'recombinant technology' . 'Escherichia coli' 'Escherichia coli' . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $prion_protein 1 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Inova' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label $sample_1 save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 . . temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'prion protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 91 1 GLN HA H 4.423 0.003 1 2 91 1 GLN HB2 H 2.047 0.023 1 3 91 1 GLN HB3 H 2.047 0.023 1 4 91 1 GLN HG2 H 2.4 0.013 1 5 91 1 GLN HG3 H 2.4 0.013 1 6 91 1 GLN HE21 H 6.867 0.001 1 7 91 1 GLN HE22 H 7.522 0.001 1 8 91 1 GLN C C 176.095 0.000 1 9 91 1 GLN CA C 56.145 0.026 1 10 91 1 GLN CB C 29.725 0.114 1 11 91 1 GLN CG C 33.678 0.063 1 12 91 1 GLN NE2 N 111.846 0.082 1 13 92 2 GLY H H 8.61 0.001 1 14 92 2 GLY HA2 H 4.002 0.006 1 15 92 2 GLY HA3 H 4.002 0.006 1 16 92 2 GLY C C 174.514 0.036 1 17 92 2 GLY CA C 45.315 0.034 1 18 92 2 GLY N N 111.436 0.019 1 19 93 3 GLY H H 8.311 0.002 1 20 93 3 GLY HA2 H 4.01 0.005 1 21 93 3 GLY HA3 H 4.01 0.005 1 22 93 3 GLY C C 174.486 0.041 1 23 93 3 GLY CA C 45.331 0.128 1 24 93 3 GLY N N 108.625 0.038 1 25 94 4 THR H H 8.112 0.009 1 26 94 4 THR HA H 4.3 0.007 1 27 94 4 THR HB H 4.168 0.005 1 28 94 4 THR HG2 H 1.153 0.014 1 29 94 4 THR C C 174.613 0.054 1 30 94 4 THR CA C 62.003 0.016 1 31 94 4 THR CB C 69.891 0.140 1 32 94 4 THR CG2 C 21.674 0.213 1 33 94 4 THR N N 113.225 0.018 1 34 95 5 HIS H H 8.557 0.002 1 35 95 5 HIS HA H 4.616 0.034 1 36 95 5 HIS HB2 H 3.094 0.019 1 37 95 5 HIS HB3 H 3.157 0.034 1 38 95 5 HIS HD2 H 7.1 0.000 1 39 95 5 HIS C C 174.302 0.054 1 40 95 5 HIS CA C 55.665 0.356 1 41 95 5 HIS CB C 29.646 0.302 1 42 95 5 HIS N N 120.735 0.076 1 43 96 6 ASN H H 8.386 0.022 1 44 96 6 ASN HA H 4.578 0.015 1 45 96 6 ASN HB2 H 2.653 0.005 1 46 96 6 ASN HB3 H 2.653 0.005 1 47 96 6 ASN HD21 H 6.876 0.007 1 48 96 6 ASN HD22 H 7.498 0.002 1 49 96 6 ASN C C 175.153 0.040 1 50 96 6 ASN CA C 53.358 0.117 1 51 96 6 ASN CB C 38.89 0.167 1 52 96 6 ASN N N 119.928 0.022 1 53 96 6 ASN ND2 N 112.225 0.120 1 54 97 7 GLN H H 8.36 0.001 1 55 97 7 GLN HA H 4.216 0.007 1 56 97 7 GLN HB2 H 1.874 0.014 1 57 97 7 GLN HB3 H 1.815 0.008 1 58 97 7 GLN HG2 H 2.101 0.011 1 59 97 7 GLN HG3 H 2.014 0.000 1 60 97 7 GLN HE21 H 6.804 0.002 1 61 97 7 GLN HE22 H 7.34 0.002 1 62 97 7 GLN C C 175.655 0.026 1 63 97 7 GLN CA C 56.181 0.144 1 64 97 7 GLN CB C 29.238 0.176 1 65 97 7 GLN CG C 33.54 0.111 1 66 97 7 GLN N N 120.728 0.020 1 67 97 7 GLN NE2 N 111.712 0.070 1 68 98 8 TRP H H 8.121 0.001 1 69 98 8 TRP HA H 4.712 0.016 1 70 98 8 TRP HB2 H 3.22 0.002 1 71 98 8 TRP HB3 H 3.357 0.002 1 72 98 8 TRP HD1 H 7.643 0.000 1 73 98 8 TRP HE1 H 10.091 0.000 1 74 98 8 TRP HE3 H 7.238 0.000 1 75 98 8 TRP HZ3 H 6.632 0.000 1 76 98 8 TRP C C 176.696 0.020 1 77 98 8 TRP CA C 57.336 0.179 1 78 98 8 TRP CB C 29.81 0.057 1 79 98 8 TRP N N 121.826 0.024 1 80 98 8 TRP NE1 N 129.182 0.000 1 81 99 9 GLY H H 8.18 0.001 1 82 99 9 GLY HA2 H 3.854 0.004 1 83 99 9 GLY HA3 H 3.854 0.004 1 84 99 9 GLY C C 173.6 0.045 1 85 99 9 GLY CA C 45.224 0.056 1 86 99 9 GLY N N 110.26 0.020 1 87 100 10 LYS H H 8.045 0.001 1 88 100 10 LYS HA H 4.613 0.008 1 89 100 10 LYS HB2 H 1.812 0.012 1 90 100 10 LYS HB3 H 1.7 0.016 1 91 100 10 LYS HG2 H 1.457 0.005 1 92 100 10 LYS HG3 H 1.457 0.005 1 93 100 10 LYS HD2 H 1.699 0.016 1 94 100 10 LYS HD3 H 1.699 0.016 1 95 100 10 LYS HE2 H 2.998 0.002 1 96 100 10 LYS HE3 H 2.998 0.002 1 97 100 10 LYS C C 174.639 0.000 1 98 100 10 LYS CA C 54.34 0.209 1 99 100 10 LYS CB C 32.858 0.159 1 100 100 10 LYS CG C 25.109 0.039 1 101 100 10 LYS CD C 29.072 0.000 1 102 100 10 LYS CE C 41.964 0.005 1 103 100 10 LYS N N 121.811 0.022 1 104 101 11 PRO HA H 4.458 0.010 1 105 101 11 PRO HB2 H 1.906 0.013 1 106 101 11 PRO HB3 H 2.302 0.008 1 107 101 11 PRO HG2 H 2.018 0.011 1 108 101 11 PRO HG3 H 2.018 0.011 1 109 101 11 PRO HD2 H 3.829 0.010 1 110 101 11 PRO HD3 H 3.643 0.010 1 111 101 11 PRO C C 176.971 0.000 1 112 101 11 PRO CA C 63.201 0.193 1 113 101 11 PRO CB C 32.341 0.216 1 114 101 11 PRO CG C 27.615 0.251 1 115 101 11 PRO CD C 50.89 0.210 1 116 102 12 SER H H 8.431 0.001 1 117 102 12 SER HA H 4.433 0.010 1 118 102 12 SER HB2 H 3.838 0.004 1 119 102 12 SER HB3 H 3.838 0.004 1 120 102 12 SER C C 174.154 0.000 1 121 102 12 SER CA C 58.293 0.252 1 122 102 12 SER CB C 64.037 0.134 1 123 102 12 SER N N 116.987 0.024 1 124 103 13 LYS H H 8.324 0.001 1 125 103 13 LYS HA H 4.616 0.009 1 126 103 13 LYS HB2 H 1.759 0.020 1 127 103 13 LYS HB3 H 1.818 0.007 1 128 103 13 LYS HG2 H 1.464 0.006 1 129 103 13 LYS HG3 H 1.464 0.006 1 130 103 13 LYS HD2 H 1.696 0.013 1 131 103 13 LYS HD3 H 1.696 0.013 1 132 103 13 LYS HE2 H 2.991 0.019 1 133 103 13 LYS HE3 H 2.991 0.019 1 134 103 13 LYS C C 174.502 0.000 1 135 103 13 LYS CA C 54.372 0.154 1 136 103 13 LYS CB C 32.83 0.211 1 137 103 13 LYS CG C 24.713 0.183 1 138 103 13 LYS CD C 29.322 0.269 1 139 103 13 LYS CE C 41.995 0.156 1 140 103 13 LYS N N 124.227 0.018 1 141 104 14 PRO HA H 4.411 0.017 1 142 104 14 PRO HB2 H 2.301 0.009 1 143 104 14 PRO HB3 H 1.909 0.008 1 144 104 14 PRO HG2 H 2.023 0.008 1 145 104 14 PRO HG3 H 2.023 0.008 1 146 104 14 PRO HD2 H 3.833 0.009 1 147 104 14 PRO HD3 H 3.641 0.007 1 148 104 14 PRO CA C 63.285 0.388 1 149 104 14 PRO CB C 32.446 0.302 1 150 104 14 PRO CG C 27.683 0.246 1 151 104 14 PRO CD C 51.061 0.129 1 152 105 15 LYS H H 8.531 0.001 1 153 105 15 LYS HA H 4.34 0.008 1 154 105 15 LYS HB2 H 1.789 0.019 1 155 105 15 LYS HB3 H 1.845 0.022 1 156 105 15 LYS HG2 H 1.492 0.000 1 157 105 15 LYS HG3 H 1.356 0.025 1 158 105 15 LYS HD2 H 1.696 0.017 1 159 105 15 LYS HD3 H 1.696 0.017 1 160 105 15 LYS HE2 H 3.016 0.003 1 161 105 15 LYS HE3 H 3.016 0.003 1 162 105 15 LYS C C 176.948 0.010 1 163 105 15 LYS CA C 56.586 0.121 1 164 105 15 LYS CB C 33.018 0.161 1 165 105 15 LYS CG C 24.936 0.199 1 166 105 15 LYS CD C 28.906 0.126 1 167 105 15 LYS CE C 41.883 0.066 1 168 105 15 LYS N N 122.267 0.021 1 169 106 16 THR H H 8.134 0.002 1 170 106 16 THR HA H 4.377 0.030 1 171 106 16 THR HB H 4.201 0.015 1 172 106 16 THR HG2 H 1.209 0.005 1 173 106 16 THR C C 174.363 0.045 1 174 106 16 THR CA C 61.716 0.111 1 175 106 16 THR CB C 70.102 0.167 1 176 106 16 THR CG2 C 21.74 0.225 1 177 106 16 THR N N 115.564 0.022 1 178 107 17 SER H H 8.384 0.002 1 179 107 17 SER HA H 4.484 0.006 1 180 107 17 SER HB2 H 3.858 0.012 1 181 107 17 SER HB3 H 4.019 0.010 1 182 107 17 SER C C 174.38 0.000 1 183 107 17 SER CA C 58.185 0.126 1 184 107 17 SER CB C 64.039 0.192 1 185 107 17 SER N N 118.321 0.022 1 186 108 18 MET H H 8.407 0.001 1 187 108 18 MET HA H 4.484 0.006 1 188 108 18 MET HB2 H 2.036 0.015 1 189 108 18 MET HB3 H 1.979 0.004 1 190 108 18 MET HG2 H 2.553 0.011 1 191 108 18 MET HG3 H 2.518 0.002 1 192 108 18 MET HE H 2.087 0.001 1 193 108 18 MET C C 175.98 0.021 1 194 108 18 MET CA C 55.501 0.131 1 195 108 18 MET CB C 33.077 0.182 1 196 108 18 MET CG C 31.995 0.121 1 197 108 18 MET CE C 17.411 0.002 1 198 108 18 MET N N 122.919 0.023 1 199 109 19 LYS H H 8.289 0.001 1 200 109 19 LYS HA H 4.268 0.008 1 201 109 19 LYS HB2 H 1.728 0.010 1 202 109 19 LYS HB3 H 1.728 0.010 1 203 109 19 LYS HG2 H 1.384 0.026 1 204 109 19 LYS HG3 H 1.42 0.000 1 205 109 19 LYS HD2 H 1.654 0.010 1 206 109 19 LYS HD3 H 1.654 0.010 1 207 109 19 LYS HE2 H 2.964 0.021 1 208 109 19 LYS HE3 H 2.964 0.021 1 209 109 19 LYS C C 176.144 0.029 1 210 109 19 LYS CA C 56.434 0.210 1 211 109 19 LYS CB C 33.239 0.206 1 212 109 19 LYS CG C 25.103 0.308 1 213 109 19 LYS CD C 29.003 0.208 1 214 109 19 LYS CE C 41.877 0.060 1 215 109 19 LYS N N 122.837 0.030 1 216 110 20 HIS H H 8.561 0.005 1 217 110 20 HIS HA H 4.677 0.026 1 218 110 20 HIS HB2 H 3.112 0.019 1 219 110 20 HIS HB3 H 3.157 0.016 1 220 110 20 HIS HD1 H 7.096 0.007 1 221 110 20 HIS C C 174.753 0.050 1 222 110 20 HIS CA C 55.626 0.322 1 223 110 20 HIS CB C 29.985 0.242 1 224 110 20 HIS N N 120.919 0.038 1 225 111 21 VAL H H 8.215 0.003 1 226 111 21 VAL HA H 4.092 0.014 1 227 111 21 VAL HB H 2.028 0.011 1 228 111 21 VAL HG1 H 0.897 0.014 1 229 111 21 VAL HG2 H 1.0 0.000 1 230 111 21 VAL C C 175.533 0.009 1 231 111 21 VAL CA C 62.053 0.029 1 232 111 21 VAL CB C 33.069 0.096 1 233 111 21 VAL CG1 C 21.113 0.106 2 234 111 21 VAL N N 122.982 0.023 1 235 112 22 ALA H H 8.466 0.002 1 236 112 22 ALA HA H 4.309 0.013 1 237 112 22 ALA HB H 1.391 0.018 1 238 112 22 ALA C C 178.055 0.005 1 239 112 22 ALA CA C 52.712 0.109 1 240 112 22 ALA CB C 19.586 0.115 1 241 112 22 ALA N N 128.453 0.021 1 242 113 23 GLY H H 8.346 0.034 1 243 113 23 GLY HA2 H 3.941 0.007 1 244 113 23 GLY HA3 H 3.941 0.007 1 245 113 23 GLY C C 173.91 0.047 1 246 113 23 GLY CA C 45.285 0.086 1 247 113 23 GLY N N 108.596 0.034 1 248 114 24 ALA H H 8.153 0.001 1 249 114 24 ALA HA H 4.295 0.004 1 250 114 24 ALA HB H 1.386 0.011 1 251 114 24 ALA C C 177.687 0.000 1 252 114 24 ALA CA C 52.61 0.018 1 253 114 24 ALA CB C 19.412 0.000 1 254 114 24 ALA N N 123.952 0.015 1 255 115 25 ALA H H 8.291 0.001 1 256 115 25 ALA HA H 4.275 0.003 1 257 115 25 ALA HB H 1.379 0.000 1 258 115 25 ALA C C 177.635 0.000 1 259 115 25 ALA CA C 52.703 0.018 1 260 115 25 ALA CB C 19.468 0.000 1 261 115 25 ALA N N 123.455 0.011 1 262 116 26 ALA H H 8.206 0.000 1 263 116 26 ALA HA H 4.281 0.005 1 264 116 26 ALA HB H 1.377 0.002 1 265 116 26 ALA C C 177.57 0.000 1 266 116 26 ALA CA C 52.703 0.205 1 267 116 26 ALA CB C 19.52 0.000 1 268 116 26 ALA N N 123.478 0.000 1 269 117 27 ALA H H 8.218 0.006 1 270 117 27 ALA HA H 4.291 0.005 1 271 117 27 ALA HB H 1.388 0.009 1 272 117 27 ALA C C 178.259 0.015 1 273 117 27 ALA CA C 52.763 0.105 1 274 117 27 ALA CB C 19.518 0.105 1 275 117 27 ALA N N 123.453 0.019 1 276 118 28 GLY H H 8.288 0.019 1 277 118 28 GLY HA2 H 3.926 0.008 1 278 118 28 GLY HA3 H 3.926 0.008 1 279 118 28 GLY C C 173.786 0.044 1 280 118 28 GLY CA C 45.301 0.009 1 281 118 28 GLY N N 108.077 0.009 1 282 119 29 ALA H H 8.05 0.001 1 283 119 29 ALA HA H 4.349 0.006 1 284 119 29 ALA HB H 1.362 0.010 1 285 119 29 ALA C C 177.603 0.037 1 286 119 29 ALA CA C 52.465 0.120 1 287 119 29 ALA CB C 19.784 0.129 1 288 119 29 ALA N N 123.625 0.020 1 289 120 30 VAL H H 8.119 0.002 1 290 120 30 VAL HA H 4.13 0.009 1 291 120 30 VAL HB H 2.021 0.009 1 292 120 30 VAL HG1 H 0.96 0.000 1 293 120 30 VAL HG2 H 0.885 0.007 1 294 120 30 VAL C C 176.37 0.033 1 295 120 30 VAL CA C 62.288 0.183 1 296 120 30 VAL CB C 32.923 0.143 1 297 120 30 VAL CG1 C 20.82 0.000 1 298 120 30 VAL CG2 C 21.555 0.116 1 299 120 30 VAL N N 119.698 0.041 1 300 121 31 VAL H H 8.261 0.002 1 301 121 31 VAL HA H 4.084 0.008 1 302 121 31 VAL HB H 2.026 0.019 1 303 121 31 VAL HG1 H 0.899 0.015 1 304 121 31 VAL C C 176.624 0.033 1 305 121 31 VAL CA C 62.632 0.184 1 306 121 31 VAL CB C 32.901 0.144 1 307 121 31 VAL CG1 C 21.012 0.093 2 308 121 31 VAL N N 124.706 0.029 1 309 122 32 GLY H H 8.525 0.005 1 310 122 32 GLY HA2 H 3.938 0.000 1 311 122 32 GLY HA3 H 3.952 0.014 1 312 122 32 GLY C C 174.704 0.033 1 313 122 32 GLY CA C 45.51 0.122 1 314 122 32 GLY N N 113.205 0.022 1 315 123 33 GLY H H 8.247 0.004 1 316 123 33 GLY HA2 H 3.961 0.009 1 317 123 33 GLY HA3 H 3.961 0.009 1 318 123 33 GLY C C 174.454 0.051 1 319 123 33 GLY CA C 45.531 0.110 1 320 123 33 GLY N N 108.473 0.017 1 321 124 34 LEU H H 8.211 0.002 1 322 124 34 LEU HA H 4.343 0.007 1 323 124 34 LEU HB2 H 1.556 0.019 1 324 124 34 LEU HB3 H 1.602 0.018 1 325 124 34 LEU HG H 1.48 0.014 1 326 124 34 LEU HD1 H 0.641 0.016 1 327 124 34 LEU HD2 H 0.538 0.011 1 328 124 34 LEU C C 178.048 0.005 1 329 124 34 LEU CA C 55.209 0.160 1 330 124 34 LEU CB C 42.659 0.238 1 331 124 34 LEU CG C 27.066 0.246 1 332 124 34 LEU CD1 C 24.908 0.247 1 333 124 34 LEU CD2 C 23.745 0.252 1 334 124 34 LEU N N 121.645 0.019 1 335 125 35 GLY H H 8.52 0.004 1 336 125 35 GLY HA2 H 3.882 0.022 2 337 125 35 GLY C C 174.897 0.030 1 338 125 35 GLY CA C 46.584 0.189 1 339 125 35 GLY N N 109.804 0.031 1 340 126 36 GLY H H 8.37 0.007 1 341 126 36 GLY HA2 H 3.788 0.011 1 342 126 36 GLY HA3 H 3.921 0.014 1 343 126 36 GLY C C 174.022 0.028 1 344 126 36 GLY CA C 45.428 0.208 1 345 126 36 GLY N N 109.336 0.043 1 346 127 37 TYR H H 7.808 0.007 1 347 127 37 TYR HA H 4.416 0.010 1 348 127 37 TYR HB2 H 2.871 0.008 1 349 127 37 TYR HB3 H 2.938 0.006 1 350 127 37 TYR HD1 H 6.852 0.012 1 351 127 37 TYR HD2 H 6.972 0.013 1 352 127 37 TYR HE2 H 8.299 0.033 3 353 127 37 TYR HH H 8.591 0.000 1 354 127 37 TYR C C 175.671 0.000 1 355 127 37 TYR CA C 58.685 0.243 1 356 127 37 TYR CB C 40.454 0.237 1 357 127 37 TYR N N 118.075 0.043 1 358 128 38 MET H H 9.105 0.006 1 359 128 38 MET HA H 4.506 0.020 1 360 128 38 MET HB2 H 1.598 0.018 1 361 128 38 MET HB3 H 1.028 0.026 1 362 128 38 MET HG2 H 2.219 0.013 1 363 128 38 MET HG3 H 2.158 0.014 1 364 128 38 MET HE H 1.974 0.008 1 365 128 38 MET C C 173.112 0.041 1 366 128 38 MET CA C 54.019 0.168 1 367 128 38 MET CB C 34.641 0.284 1 368 128 38 MET CG C 32.053 0.288 1 369 128 38 MET CE C 17.569 0.020 1 370 128 38 MET N N 121.522 0.035 1 371 129 39 LEU H H 8.042 0.006 1 372 129 39 LEU HA H 4.527 0.017 1 373 129 39 LEU HB2 H 1.69 0.003 1 374 129 39 LEU HB3 H 1.32 0.003 1 375 129 39 LEU HG H 1.4 0.014 1 376 129 39 LEU HD1 H 0.626 0.024 1 377 129 39 LEU HD2 H 0.005 0.008 1 378 129 39 LEU C C 178.16 0.000 1 379 129 39 LEU CA C 53.747 0.206 1 380 129 39 LEU CB C 43.87 0.261 1 381 129 39 LEU CG C 26.177 0.180 1 382 129 39 LEU CD1 C 26.085 0.211 1 383 129 39 LEU CD2 C 22.127 0.209 1 384 129 39 LEU N N 121.479 0.031 1 385 130 40 GLY H H 9.347 0.008 1 386 130 40 GLY HA2 H 4.432 0.015 1 387 130 40 GLY HA3 H 4.151 0.006 1 388 130 40 GLY C C 172.969 0.040 1 389 130 40 GLY CA C 45.34 0.120 1 390 130 40 GLY N N 115.072 0.043 1 391 131 41 SER H H 8.351 0.008 1 392 131 41 SER HA H 4.409 0.005 1 393 131 41 SER HB2 H 3.949 0.023 1 394 131 41 SER HB3 H 3.901 0.006 1 395 131 41 SER C C 174.534 0.000 1 396 131 41 SER CA C 58.722 0.140 1 397 131 41 SER CB C 64.171 0.133 1 398 131 41 SER N N 113.68 0.025 1 399 132 42 ALA H H 8.606 0.003 1 400 132 42 ALA HA H 4.387 0.008 1 401 132 42 ALA HB H 1.267 0.016 1 402 132 42 ALA C C 177.606 0.004 1 403 132 42 ALA CA C 53.195 0.194 1 404 132 42 ALA CB C 18.713 0.209 1 405 132 42 ALA N N 124.942 0.029 1 406 133 43 MET H H 8.821 0.005 1 407 133 43 MET HA H 4.742 0.010 1 408 133 43 MET HB2 H 2.083 0.014 1 409 133 43 MET HB3 H 1.965 0.014 1 410 133 43 MET HG2 H 2.528 0.016 1 411 133 43 MET HG3 H 2.457 0.010 1 412 133 43 MET HE H 1.895 0.009 1 413 133 43 MET C C 175.869 0.000 1 414 133 43 MET CA C 54.2 0.179 1 415 133 43 MET CB C 37.001 0.141 1 416 133 43 MET CG C 31.631 0.188 1 417 133 43 MET CE C 17.133 0.006 1 418 133 43 MET N N 121.821 0.040 1 419 134 44 SER H H 8.435 0.003 1 420 134 44 SER HA H 4.35 0.009 1 421 134 44 SER HB2 H 3.749 0.004 1 422 134 44 SER HB3 H 3.796 0.017 1 423 134 44 SER C C 174.452 0.000 1 424 134 44 SER CA C 58.852 0.192 1 425 134 44 SER CB C 63.267 0.144 1 426 134 44 SER N N 116.423 0.078 1 427 135 45 ARG H H 8.595 0.006 1 428 135 45 ARG HA H 4.393 0.015 1 429 135 45 ARG HB2 H 1.865 0.015 1 430 135 45 ARG HB3 H 1.865 0.015 1 431 135 45 ARG HG2 H 1.693 0.012 1 432 135 45 ARG HG3 H 1.802 0.013 1 433 135 45 ARG HD2 H 3.047 0.023 1 434 135 45 ARG HD3 H 3.141 0.016 1 435 135 45 ARG HE H 8.611 0.000 1 436 135 45 ARG C C 175.01 0.000 1 437 135 45 ARG CA C 55.277 0.142 1 438 135 45 ARG CB C 29.247 0.054 1 439 135 45 ARG CG C 27.366 0.023 1 440 135 45 ARG CD C 44.228 0.269 1 441 135 45 ARG N N 126.165 0.063 1 442 135 45 ARG NE N 88.066 0.000 1 443 136 46 PRO HA H 4.402 0.021 1 444 136 46 PRO HB2 H 2.251 0.030 1 445 136 46 PRO HB3 H 1.893 0.015 1 446 136 46 PRO HG2 H 1.762 0.019 1 447 136 46 PRO HG3 H 2.042 0.016 1 448 136 46 PRO HD2 H 3.861 0.025 1 449 136 46 PRO HD3 H 3.64 0.008 1 450 136 46 PRO C C 176.239 0.000 1 451 136 46 PRO CA C 62.802 0.204 1 452 136 46 PRO CB C 32.635 0.167 1 453 136 46 PRO CG C 27.942 0.222 1 454 136 46 PRO CD C 51.109 0.068 1 455 137 47 LEU H H 8.667 0.005 1 456 137 47 LEU HA H 4.563 0.006 1 457 137 47 LEU HB2 H 1.656 0.014 1 458 137 47 LEU HB3 H 1.557 0.031 1 459 137 47 LEU HG H 1.607 0.012 1 460 137 47 LEU HD1 H 0.945 0.012 1 461 137 47 LEU HD2 H 0.88 0.008 1 462 137 47 LEU C C 176.035 0.000 1 463 137 47 LEU CA C 54.592 0.169 1 464 137 47 LEU CB C 40.359 0.220 1 465 137 47 LEU CG C 27.193 0.312 1 466 137 47 LEU CD1 C 24.812 0.183 1 467 137 47 LEU CD2 C 23.847 0.220 1 468 137 47 LEU N N 125.129 0.031 1 469 138 48 ILE H H 6.982 0.004 1 470 138 48 ILE HA H 3.945 0.015 1 471 138 48 ILE HB H 1.177 0.009 1 472 138 48 ILE HG12 H 0.712 0.016 1 473 138 48 ILE HG13 H 0.888 0.018 1 474 138 48 ILE HG2 H 0.052 0.009 1 475 138 48 ILE HD1 H 0.413 0.009 1 476 138 48 ILE C C 173.821 0.045 1 477 138 48 ILE CA C 59.698 0.178 1 478 138 48 ILE CB C 39.877 0.255 1 479 138 48 ILE CG1 C 26.909 0.298 1 480 138 48 ILE CG2 C 17.22 0.264 1 481 138 48 ILE CD1 C 13.4 0.295 1 482 138 48 ILE N N 122.414 0.033 1 483 139 49 HIS H H 8.301 0.003 1 484 139 49 HIS HA H 4.937 0.005 1 485 139 49 HIS HB2 H 3.286 0.008 1 486 139 49 HIS HB3 H 2.979 0.008 1 487 139 49 HIS HD1 H 12.479 0.002 1 488 139 49 HIS HD2 H 7.397 0.012 1 489 139 49 HIS HE1 H 7.168 0.000 1 490 139 49 HIS C C 174.696 0.000 1 491 139 49 HIS CA C 54.351 0.189 1 492 139 49 HIS CB C 29.752 0.273 1 493 139 49 HIS N N 122.092 0.068 1 494 140 50 PHE H H 10.329 0.014 1 495 140 50 PHE HA H 4.234 0.019 1 496 140 50 PHE HB2 H 3.357 0.009 1 497 140 50 PHE HB3 H 2.859 0.015 1 498 140 50 PHE HD1 H 7.38 0.004 1 499 140 50 PHE HD2 H 7.38 0.004 1 500 140 50 PHE HE2 H 6.934 0.012 3 501 140 50 PHE HZ H 7.284 0.009 1 502 140 50 PHE C C 177.007 0.000 1 503 140 50 PHE CA C 60.081 0.162 1 504 140 50 PHE CB C 40.587 0.220 1 505 140 50 PHE N N 125.282 0.041 1 506 141 51 GLY H H 9.019 0.007 1 507 141 51 GLY HA2 H 4.125 0.008 1 508 141 51 GLY HA3 H 3.74 0.011 1 509 141 51 GLY C C 173.318 0.051 1 510 141 51 GLY CA C 45.86 0.013 1 511 141 51 GLY N N 108.876 0.044 1 512 142 52 ASN H H 7.248 0.008 1 513 142 52 ASN HA H 4.863 0.019 1 514 142 52 ASN HB2 H 2.815 0.014 1 515 142 52 ASN HB3 H 2.831 0.013 1 516 142 52 ASN HD21 H 7.545 0.010 1 517 142 52 ASN HD22 H 6.818 0.000 1 518 142 52 ASN C C 174.269 0.036 1 519 142 52 ASN CA C 52.76 0.148 1 520 142 52 ASN CB C 41.651 0.182 1 521 142 52 ASN N N 114.641 0.047 1 522 142 52 ASN ND2 N 112.647 0.037 1 523 143 53 ASP H H 8.964 0.007 1 524 143 53 ASP HA H 4.433 0.009 1 525 143 53 ASP HB2 H 2.942 0.020 1 526 143 53 ASP HB3 H 2.737 0.023 1 527 143 53 ASP C C 177.699 0.000 1 528 143 53 ASP CA C 58.005 0.200 1 529 143 53 ASP CB C 41.361 0.239 1 530 143 53 ASP N N 123.681 0.095 1 531 144 54 TYR H H 8.362 0.002 1 532 144 54 TYR HA H 4.217 0.019 1 533 144 54 TYR HB2 H 3.236 0.007 1 534 144 54 TYR HB3 H 3.049 0.008 1 535 144 54 TYR HD1 H 7.081 0.017 1 536 144 54 TYR HD2 H 7.081 0.017 1 537 144 54 TYR HE1 H 6.692 0.009 3 538 144 54 TYR C C 178.055 0.000 1 539 144 54 TYR CA C 61.83 0.238 1 540 144 54 TYR CB C 37.94 0.153 1 541 144 54 TYR N N 120.234 0.082 1 542 145 55 GLU H H 8.317 0.007 1 543 145 55 GLU HA H 3.535 0.016 1 544 145 55 GLU HB2 H 1.89 0.016 1 545 145 55 GLU HB3 H 1.384 0.007 1 546 145 55 GLU HG2 H 2.484 0.014 1 547 145 55 GLU HG3 H 1.853 0.008 1 548 145 55 GLU C C 177.93 0.007 1 549 145 55 GLU CA C 60.144 0.226 1 550 145 55 GLU CB C 30.02 0.134 1 551 145 55 GLU CG C 38.506 0.244 1 552 145 55 GLU N N 119.668 0.028 1 553 146 56 ASP H H 8.023 0.010 1 554 146 56 ASP HA H 4.679 0.008 1 555 146 56 ASP HB2 H 2.944 0.018 1 556 146 56 ASP HB3 H 2.733 0.013 1 557 146 56 ASP C C 179.073 0.000 1 558 146 56 ASP CA C 58.932 0.222 1 559 146 56 ASP CB C 41.291 0.220 1 560 146 56 ASP N N 118.344 0.053 1 561 147 57 ARG H H 8.079 0.008 1 562 147 57 ARG HA H 4.006 0.015 1 563 147 57 ARG HB2 H 1.92 0.011 1 564 147 57 ARG HB3 H 1.832 0.002 1 565 147 57 ARG HG2 H 1.741 0.014 1 566 147 57 ARG HG3 H 1.542 0.020 1 567 147 57 ARG HD2 H 3.22 0.011 1 568 147 57 ARG HD3 H 3.178 0.015 1 569 147 57 ARG HE H 7.236 0.076 1 570 147 57 ARG C C 177.677 0.001 1 571 147 57 ARG CA C 59.728 0.262 1 572 147 57 ARG CB C 30.135 0.202 1 573 147 57 ARG CG C 27.839 0.300 1 574 147 57 ARG CD C 43.566 0.250 1 575 147 57 ARG N N 120.151 0.045 1 576 147 57 ARG NE N 87.333 0.045 1 577 148 58 TYR H H 8.443 0.005 1 578 148 58 TYR HA H 3.847 0.012 1 579 148 58 TYR HB2 H 2.767 0.027 1 580 148 58 TYR HB3 H 2.583 0.017 1 581 148 58 TYR HD1 H 6.858 0.010 1 582 148 58 TYR HD2 H 7.362 0.007 1 583 148 58 TYR HE1 H 6.897 0.020 3 584 148 58 TYR C C 179.693 0.000 1 585 148 58 TYR CA C 62.353 0.170 1 586 148 58 TYR CB C 38.842 0.256 1 587 148 58 TYR N N 121.269 0.055 1 588 149 59 TYR H H 8.83 0.009 1 589 149 59 TYR HA H 4.25 0.024 1 590 149 59 TYR HB2 H 3.232 0.009 1 591 149 59 TYR HB3 H 3.048 0.002 1 592 149 59 TYR HD1 H 6.958 0.007 1 593 149 59 TYR HD2 H 6.712 0.016 1 594 149 59 TYR HE1 H 7.009 0.000 1 595 149 59 TYR HE2 H 7.34 0.002 1 596 149 59 TYR HH H 6.936 0.017 1 597 149 59 TYR C C 176.497 0.000 1 598 149 59 TYR CA C 61.788 0.292 1 599 149 59 TYR CB C 38.459 0.217 1 600 149 59 TYR N N 119.402 0.034 1 601 150 60 ARG H H 7.646 0.006 1 602 150 60 ARG HA H 3.681 0.007 1 603 150 60 ARG HB2 H 1.941 0.014 1 604 150 60 ARG HB3 H 2.181 0.007 1 605 150 60 ARG HG2 H 1.918 0.008 1 606 150 60 ARG HG3 H 1.672 0.013 1 607 150 60 ARG HD2 H 3.271 0.019 1 608 150 60 ARG HD3 H 3.213 0.006 1 609 150 60 ARG HE H 7.443 0.001 1 610 150 60 ARG C C 179.086 0.001 1 611 150 60 ARG CA C 60.075 0.205 1 612 150 60 ARG CB C 29.957 0.204 1 613 150 60 ARG CG C 28.367 0.328 1 614 150 60 ARG CD C 43.497 0.241 1 615 150 60 ARG N N 116.787 0.050 1 616 150 60 ARG NE N 85.243 0.093 1 617 151 61 GLU H H 7.96 0.008 1 618 151 61 GLU HA H 4.081 0.018 1 619 151 61 GLU HB2 H 1.983 0.008 1 620 151 61 GLU HB3 H 2.244 0.006 1 621 151 61 GLU HG2 H 2.194 0.009 1 622 151 61 GLU HG3 H 2.406 0.030 1 623 151 61 GLU C C 177.517 0.014 1 624 151 61 GLU CA C 57.881 0.146 1 625 151 61 GLU CB C 30.152 0.174 1 626 151 61 GLU CG C 36.742 0.361 1 627 151 61 GLU N N 115.681 0.035 1 628 152 62 ASN H H 7.561 0.012 1 629 152 62 ASN HA H 4.597 0.018 1 630 152 62 ASN HB2 H 2.337 0.019 1 631 152 62 ASN HB3 H 2.273 0.015 1 632 152 62 ASN HD21 H 6.76 0.013 1 633 152 62 ASN HD22 H 6.56 0.022 1 634 152 62 ASN C C 175.389 0.041 1 635 152 62 ASN CA C 54.763 0.247 1 636 152 62 ASN CB C 41.285 0.267 1 637 152 62 ASN N N 115.337 0.082 1 638 152 62 ASN ND2 N 116.93 0.073 1 639 153 63 MET H H 7.512 0.008 1 640 153 63 MET HA H 3.686 0.009 1 641 153 63 MET HB2 H 1.71 0.010 1 642 153 63 MET HB3 H 1.892 0.012 1 643 153 63 MET HG2 H 2.576 0.003 1 644 153 63 MET HG3 H 2.139 0.012 1 645 153 63 MET HE H 1.831 0.007 1 646 153 63 MET C C 176.387 0.022 1 647 153 63 MET CA C 60.047 0.186 1 648 153 63 MET CB C 32.692 0.093 1 649 153 63 MET CG C 31.404 0.398 1 650 153 63 MET CE C 17.177 0.021 1 651 153 63 MET N N 118.894 0.053 1 652 154 64 TYR H H 7.631 0.004 1 653 154 64 TYR HA H 4.238 0.015 1 654 154 64 TYR HB2 H 3.037 0.022 1 655 154 64 TYR HB3 H 2.961 0.013 1 656 154 64 TYR HD1 H 7.085 0.007 1 657 154 64 TYR HD2 H 7.085 0.007 1 658 154 64 TYR HE1 H 6.92 0.024 1 659 154 64 TYR HE2 H 7.328 0.000 1 660 154 64 TYR C C 176.222 0.269 1 661 154 64 TYR CA C 59.45 0.196 1 662 154 64 TYR CB C 36.74 0.093 1 663 154 64 TYR CD1 C 131.373 0.000 1 664 154 64 TYR CD2 C 131.373 0.000 1 665 154 64 TYR N N 114.704 0.060 1 666 155 65 ARG H H 7.605 0.003 1 667 155 65 ARG HA H 4.043 0.023 1 668 155 65 ARG HB2 H 1.817 0.011 1 669 155 65 ARG HB3 H 1.94 0.015 1 670 155 65 ARG HG2 H 1.285 0.026 1 671 155 65 ARG HG3 H 1.551 0.027 1 672 155 65 ARG HD2 H 3.093 0.028 1 673 155 65 ARG HD3 H 3.212 0.009 1 674 155 65 ARG HE H 6.887 0.011 1 675 155 65 ARG C C 176.6 0.000 1 676 155 65 ARG CA C 56.772 0.206 1 677 155 65 ARG CB C 30.933 0.116 1 678 155 65 ARG CG C 27.561 0.073 1 679 155 65 ARG CD C 44.447 0.318 1 680 155 65 ARG N N 118.829 0.056 1 681 155 65 ARG NE N 85.686 0.017 1 682 156 66 TYR H H 7.341 0.009 1 683 156 66 TYR HA H 4.991 0.033 1 684 156 66 TYR HB2 H 3.209 0.028 1 685 156 66 TYR HB3 H 3.049 0.032 1 686 156 66 TYR HD1 H 7.041 0.019 1 687 156 66 TYR HD2 H 7.334 0.000 1 688 156 66 TYR HE1 H 7.829 0.018 1 689 156 66 TYR HE2 H 7.023 0.004 1 690 156 66 TYR C C 172.971 0.000 1 691 156 66 TYR CA C 54.053 0.172 1 692 156 66 TYR CB C 36.1 0.230 1 693 156 66 TYR N N 119.883 0.077 1 694 157 67 PRO HA H 4.414 0.021 1 695 157 67 PRO HB2 H 2.304 0.012 1 696 157 67 PRO HB3 H 1.906 0.013 1 697 157 67 PRO HG2 H 1.759 0.018 1 698 157 67 PRO HG3 H 2.04 0.012 1 699 157 67 PRO HD2 H 3.641 0.009 1 700 157 67 PRO HD3 H 3.829 0.011 1 701 157 67 PRO C C 175.091 0.000 1 702 157 67 PRO CA C 63.638 0.200 1 703 157 67 PRO CB C 32.622 0.101 1 704 157 67 PRO CG C 28.023 0.191 1 705 157 67 PRO CD C 50.957 0.217 1 706 158 68 ASN H H 8.507 0.012 1 707 158 68 ASN HA H 4.719 0.012 1 708 158 68 ASN HB2 H 2.438 0.017 1 709 158 68 ASN HB3 H 3.65 0.017 1 710 158 68 ASN HD21 H 6.87 0.003 1 711 158 68 ASN HD22 H 7.495 0.000 1 712 158 68 ASN C C 172.919 0.000 1 713 158 68 ASN CA C 52.149 0.210 1 714 158 68 ASN CB C 38.652 0.295 1 715 158 68 ASN N N 115.91 0.045 1 716 158 68 ASN ND2 N 112.182 0.027 1 717 159 69 GLN H H 7.204 0.006 1 718 159 69 GLN HA H 4.584 0.015 1 719 159 69 GLN HB2 H 2.0 0.015 1 720 159 69 GLN HB3 H 2.151 0.010 1 721 159 69 GLN HG2 H 2.381 0.013 1 722 159 69 GLN HG3 H 2.381 0.013 1 723 159 69 GLN HE21 H 6.779 0.008 1 724 159 69 GLN HE22 H 7.327 0.000 1 725 159 69 GLN C C 175.112 0.020 1 726 159 69 GLN CA C 54.425 0.182 1 727 159 69 GLN CB C 34.433 0.232 1 728 159 69 GLN CG C 33.511 0.044 1 729 159 69 GLN N N 114.228 0.070 1 730 159 69 GLN NE2 N 110.488 0.210 1 731 160 70 VAL H H 8.51 0.008 1 732 160 70 VAL HA H 4.931 0.011 1 733 160 70 VAL HB H 2.612 0.008 1 734 160 70 VAL HG1 H 0.94 0.010 1 735 160 70 VAL HG2 H 0.761 0.012 1 736 160 70 VAL C C 174.06 0.000 1 737 160 70 VAL CA C 58.943 0.180 1 738 160 70 VAL CB C 34.071 0.259 1 739 160 70 VAL CG1 C 24.098 0.157 1 740 160 70 VAL CG2 C 18.827 0.213 1 741 160 70 VAL N N 112.869 0.058 1 742 161 71 TYR H H 8.425 0.006 1 743 161 71 TYR HA H 5.588 0.017 1 744 161 71 TYR HB2 H 2.605 0.008 1 745 161 71 TYR HB3 H 2.584 0.015 1 746 161 71 TYR HD1 H 6.908 0.019 1 747 161 71 TYR HD2 H 6.679 0.100 1 748 161 71 TYR HE1 H 6.347 0.007 1 749 161 71 TYR HE2 H 6.862 0.015 1 750 161 71 TYR HH H 8.59 0.000 1 751 161 71 TYR C C 174.715 0.001 1 752 161 71 TYR CA C 57.423 0.179 1 753 161 71 TYR CB C 42.373 0.170 1 754 161 71 TYR N N 121.138 0.085 1 755 162 72 TYR H H 8.584 0.007 1 756 162 72 TYR HA H 4.871 0.011 1 757 162 72 TYR HB2 H 2.889 0.015 1 758 162 72 TYR HB3 H 2.709 0.017 1 759 162 72 TYR HD1 H 7.198 0.010 3 760 162 72 TYR HE1 H 6.501 0.013 1 761 162 72 TYR HE2 H 6.677 0.003 1 762 162 72 TYR C C 173.747 0.000 1 763 162 72 TYR CA C 56.385 0.140 1 764 162 72 TYR CB C 40.348 0.147 1 765 162 72 TYR N N 111.198 0.060 1 766 163 73 ARG H H 7.93 0.014 1 767 163 73 ARG HA H 4.633 0.016 1 768 163 73 ARG HB2 H 1.82 0.004 1 769 163 73 ARG HB3 H 1.995 0.004 1 770 163 73 ARG HG2 H 1.688 0.009 1 771 163 73 ARG HG3 H 1.653 0.009 1 772 163 73 ARG HD2 H 3.386 0.004 1 773 163 73 ARG HD3 H 3.003 0.002 1 774 163 73 ARG C C 172.514 0.000 1 775 163 73 ARG CA C 54.124 0.117 1 776 163 73 ARG CB C 31.376 0.114 1 777 163 73 ARG CG C 27.4 0.000 1 778 163 73 ARG CD C 42.436 0.035 1 779 163 73 ARG N N 120.587 0.058 1 780 164 74 PRO HA H 4.598 0.009 1 781 164 74 PRO HB2 H 2.01 0.011 1 782 164 74 PRO HB3 H 2.482 0.013 1 783 164 74 PRO HG2 H 2.084 0.012 1 784 164 74 PRO HG3 H 2.084 0.012 1 785 164 74 PRO HD2 H 3.429 0.010 1 786 164 74 PRO HD3 H 3.674 0.012 1 787 164 74 PRO C C 178.517 0.000 1 788 164 74 PRO CA C 63.885 0.189 1 789 164 74 PRO CB C 33.095 0.083 1 790 164 74 PRO CD C 50.622 0.062 1 791 165 75 VAL H H 8.591 0.006 1 792 165 75 VAL HA H 4.316 0.010 1 793 165 75 VAL HB H 2.122 0.012 1 794 165 75 VAL HG1 H 0.857 0.015 1 795 165 75 VAL HG2 H 0.947 0.011 1 796 165 75 VAL C C 176.81 0.017 1 797 165 75 VAL CA C 62.743 0.060 1 798 165 75 VAL CB C 32.747 0.120 1 799 165 75 VAL CG1 C 21.763 0.000 1 800 165 75 VAL CG2 C 21.766 0.200 1 801 165 75 VAL N N 118.638 0.063 1 802 166 76 ASP H H 8.273 0.004 1 803 166 76 ASP HA H 4.603 0.014 1 804 166 76 ASP HB2 H 2.906 0.014 1 805 166 76 ASP HB3 H 2.694 0.013 1 806 166 76 ASP C C 177.122 0.000 1 807 166 76 ASP CA C 54.88 0.175 1 808 166 76 ASP CB C 40.03 0.216 1 809 166 76 ASP N N 117.419 0.061 1 810 167 77 GLN H H 8.246 0.006 1 811 167 77 GLN HA H 4.113 0.007 1 812 167 77 GLN HB2 H 1.926 0.009 1 813 167 77 GLN HB3 H 1.712 0.012 1 814 167 77 GLN HG2 H 2.245 0.008 1 815 167 77 GLN HG3 H 2.221 0.005 1 816 167 77 GLN HE21 H 6.777 0.000 1 817 167 77 GLN HE22 H 7.321 0.006 1 818 167 77 GLN C C 174.787 0.000 1 819 167 77 GLN CA C 56.017 0.172 1 820 167 77 GLN CB C 27.618 0.000 1 821 167 77 GLN CG C 34.594 0.251 1 822 167 77 GLN N N 117.512 0.029 1 823 167 77 GLN NE2 N 110.53 0.210 1 824 168 78 TYR H H 7.875 0.004 1 825 168 78 TYR HA H 4.921 0.008 1 826 168 78 TYR HB2 H 3.42 0.009 1 827 168 78 TYR HB3 H 3.023 0.009 1 828 168 78 TYR HD1 H 7.377 0.006 1 829 168 78 TYR HD2 H 7.19 0.001 1 830 168 78 TYR HE2 H 6.982 0.000 3 831 168 78 TYR C C 176.19 0.000 1 832 168 78 TYR CA C 57.296 0.159 1 833 168 78 TYR CB C 42.405 0.221 1 834 168 78 TYR N N 117.263 0.043 1 835 169 79 SER H H 9.211 0.006 1 836 169 79 SER HA H 4.547 0.010 1 837 169 79 SER HB2 H 4.012 0.013 1 838 169 79 SER HB3 H 4.012 0.013 1 839 169 79 SER C C 174.239 0.000 1 840 169 79 SER CA C 59.181 0.185 1 841 169 79 SER CB C 64.254 0.146 1 842 169 79 SER N N 115.239 0.032 1 843 170 80 ASN H H 7.548 0.010 1 844 170 80 ASN HA H 4.762 0.020 1 845 170 80 ASN HB2 H 3.232 0.008 1 846 170 80 ASN HB3 H 3.029 0.012 1 847 170 80 ASN HD21 H 6.809 0.006 1 848 170 80 ASN HD22 H 7.541 0.000 1 849 170 80 ASN C C 173.668 0.048 1 850 170 80 ASN CA C 52.392 0.120 1 851 170 80 ASN CB C 40.542 0.106 1 852 170 80 ASN N N 113.665 0.045 1 853 170 80 ASN ND2 N 112.7 0.051 1 854 171 81 GLN H H 8.621 0.005 1 855 171 81 GLN HA H 3.749 0.007 1 856 171 81 GLN HB2 H 2.342 0.000 1 857 171 81 GLN HB3 H 2.088 0.000 1 858 171 81 GLN HG2 H 2.487 0.018 1 859 171 81 GLN HG3 H 2.72 0.009 1 860 171 81 GLN HE21 H 6.786 0.009 1 861 171 81 GLN HE22 H 7.407 0.019 1 862 171 81 GLN C C 177.046 0.000 1 863 171 81 GLN CA C 59.262 0.212 1 864 171 81 GLN CB C 29.83 0.023 1 865 171 81 GLN CG C 33.993 0.272 1 866 171 81 GLN N N 119.605 0.024 1 867 171 81 GLN NE2 N 110.888 0.097 1 868 172 82 ASN H H 8.509 0.004 1 869 172 82 ASN HA H 4.232 0.010 1 870 172 82 ASN HB2 H 2.756 0.022 1 871 172 82 ASN HB3 H 2.687 0.020 1 872 172 82 ASN HD21 H 7.605 0.012 1 873 172 82 ASN HD22 H 6.933 0.013 1 874 172 82 ASN C C 178.088 0.024 1 875 172 82 ASN CA C 56.795 0.171 1 876 172 82 ASN CB C 37.757 0.191 1 877 172 82 ASN N N 117.245 0.034 1 878 172 82 ASN ND2 N 111.958 0.061 1 879 173 83 SER H H 8.41 0.005 1 880 173 83 SER HA H 4.303 0.006 1 881 173 83 SER HB2 H 4.169 0.016 1 882 173 83 SER HB3 H 4.255 0.009 1 883 173 83 SER C C 176.319 0.000 1 884 173 83 SER CA C 61.829 0.168 1 885 173 83 SER CB C 63.23 0.118 1 886 173 83 SER N N 115.627 0.063 1 887 174 84 PHE H H 7.094 0.006 1 888 174 84 PHE HA H 4.185 0.021 1 889 174 84 PHE HB2 H 2.709 0.012 1 890 174 84 PHE HB3 H 2.904 0.009 1 891 174 84 PHE HE1 H 7.188 0.005 3 892 174 84 PHE HZ H 6.688 0.014 1 893 174 84 PHE C C 177.294 0.000 1 894 174 84 PHE CA C 60.923 0.033 1 895 174 84 PHE CB C 39.406 0.133 1 896 174 84 PHE N N 123.459 0.034 1 897 175 85 VAL H H 8.897 0.006 1 898 175 85 VAL HA H 3.405 0.012 1 899 175 85 VAL HB H 2.204 0.013 1 900 175 85 VAL HG1 H 1.047 0.012 1 901 175 85 VAL HG2 H 1.066 0.019 1 902 175 85 VAL C C 176.756 0.002 1 903 175 85 VAL CA C 67.785 0.226 1 904 175 85 VAL CB C 32.334 0.099 1 905 175 85 VAL CG1 C 22.455 0.230 1 906 175 85 VAL CG2 C 25.247 0.230 1 907 175 85 VAL N N 120.269 0.050 1 908 176 86 HIS H H 8.373 0.009 1 909 176 86 HIS HA H 4.301 0.008 1 910 176 86 HIS HB2 H 3.335 0.015 1 911 176 86 HIS HB3 H 3.335 0.015 1 912 176 86 HIS HD1 H 7.352 0.000 1 913 176 86 HIS HD2 H 8.171 0.013 1 914 176 86 HIS HE1 H 7.202 0.000 1 915 176 86 HIS HE2 H 8.118 0.000 1 916 176 86 HIS C C 177.016 0.007 1 917 176 86 HIS CA C 59.621 0.225 1 918 176 86 HIS CB C 28.729 0.233 1 919 176 86 HIS N N 116.628 0.055 1 920 177 87 ASP H H 7.359 0.009 1 921 177 87 ASP HA H 4.584 0.013 1 922 177 87 ASP HB2 H 2.99 0.012 1 923 177 87 ASP HB3 H 2.957 0.005 1 924 177 87 ASP C C 175.865 0.000 1 925 177 87 ASP CA C 57.397 0.190 1 926 177 87 ASP CB C 41.618 0.229 1 927 177 87 ASP N N 118.542 0.058 1 928 178 88 CYS H H 8.135 0.010 1 929 178 88 CYS HA H 4.689 0.012 1 930 178 88 CYS HB2 H 2.845 0.011 1 931 178 88 CYS HB3 H 3.192 0.019 1 932 178 88 CYS C C 177.494 0.000 1 933 178 88 CYS CA C 58.992 0.196 1 934 178 88 CYS CB C 41.445 0.168 1 935 178 88 CYS N N 119.359 0.080 1 936 179 89 VAL H H 9.22 0.011 1 937 179 89 VAL HA H 3.681 0.013 1 938 179 89 VAL HB H 2.137 0.013 1 939 179 89 VAL HG1 H 1.057 0.012 1 940 179 89 VAL HG2 H 0.953 0.010 1 941 179 89 VAL C C 177.12 0.003 1 942 179 89 VAL CA C 66.418 0.271 1 943 179 89 VAL CB C 32.268 0.178 1 944 179 89 VAL CG1 C 22.473 0.175 1 945 179 89 VAL CG2 C 21.532 0.209 1 946 179 89 VAL N N 124.182 0.076 1 947 180 90 ASN H H 7.628 0.005 1 948 180 90 ASN HA H 4.309 0.011 1 949 180 90 ASN HB2 H 2.854 0.013 1 950 180 90 ASN HB3 H 2.809 0.016 1 951 180 90 ASN HD21 H 6.763 0.007 1 952 180 90 ASN HD22 H 7.643 0.006 1 953 180 90 ASN C C 178.377 0.022 1 954 180 90 ASN CA C 56.915 0.163 1 955 180 90 ASN CB C 39.178 0.195 1 956 180 90 ASN N N 116.704 0.034 1 957 180 90 ASN ND2 N 111.748 0.277 1 958 181 91 ILE H H 8.66 0.006 1 959 181 91 ILE HA H 3.766 0.015 1 960 181 91 ILE HB H 1.622 0.014 1 961 181 91 ILE HG12 H 0.858 0.023 1 962 181 91 ILE HG13 H 0.997 0.016 1 963 181 91 ILE HG2 H 0.252 0.011 1 964 181 91 ILE HD1 H 0.413 0.024 1 965 181 91 ILE CA C 62.315 0.208 1 966 181 91 ILE CB C 36.759 0.214 1 967 181 91 ILE CG1 C 27.773 0.281 1 968 181 91 ILE CG2 C 18.656 0.250 1 969 181 91 ILE CD1 C 11.208 0.278 1 970 181 91 ILE N N 118.113 0.044 1 971 182 92 THR H H 8.099 0.009 1 972 182 92 THR HA H 4.086 0.018 1 973 182 92 THR HB H 4.504 0.017 1 974 182 92 THR HG2 H 1.487 0.011 1 975 182 92 THR C C 177.59 0.000 1 976 182 92 THR CA C 68.944 0.218 1 977 182 92 THR CB C 68.894 0.122 1 978 182 92 THR CG2 C 22.655 0.165 1 979 182 92 THR N N 118.078 0.073 1 980 183 93 VAL H H 8.801 0.005 1 981 183 93 VAL HA H 3.614 0.014 1 982 183 93 VAL HB H 2.296 0.016 1 983 183 93 VAL HG1 H 1.038 0.014 1 984 183 93 VAL HG2 H 0.969 0.013 1 985 183 93 VAL C C 178.811 0.021 1 986 183 93 VAL CA C 67.965 0.224 1 987 183 93 VAL CB C 31.814 0.281 1 988 183 93 VAL CG1 C 24.11 0.210 1 989 183 93 VAL CG2 C 21.099 0.019 1 990 183 93 VAL N N 120.913 0.028 1 991 184 94 LYS H H 7.894 0.006 1 992 184 94 LYS HA H 4.068 0.011 1 993 184 94 LYS HB2 H 1.936 0.011 1 994 184 94 LYS HB3 H 1.964 0.011 1 995 184 94 LYS HG2 H 1.508 0.018 1 996 184 94 LYS HG3 H 1.423 0.012 1 997 184 94 LYS HD2 H 1.654 0.014 1 998 184 94 LYS HD3 H 1.654 0.014 1 999 184 94 LYS HE2 H 2.928 0.015 1 1000 184 94 LYS HE3 H 2.928 0.015 1 1001 184 94 LYS C C 178.963 0.044 1 1002 184 94 LYS CA C 55.316 0.200 1 1003 184 94 LYS CB C 32.559 0.070 1 1004 184 94 LYS CG C 25.478 0.204 1 1005 184 94 LYS CD C 29.439 0.084 1 1006 184 94 LYS CE C 42.123 0.279 1 1007 184 94 LYS N N 121.556 0.034 1 1008 185 95 GLN H H 8.4 0.018 1 1009 185 95 GLN HA H 4.024 0.019 1 1010 185 95 GLN HB2 H 2.155 0.014 1 1011 185 95 GLN HB3 H 2.155 0.014 1 1012 185 95 GLN HG2 H 2.354 0.015 1 1013 185 95 GLN HG3 H 2.503 0.010 1 1014 185 95 GLN HE21 H 7.345 0.018 1 1015 185 95 GLN HE22 H 6.79 0.012 1 1016 185 95 GLN C C 178.288 0.017 1 1017 185 95 GLN CA C 57.881 0.178 1 1018 185 95 GLN CB C 28.597 0.160 1 1019 185 95 GLN CG C 34.285 0.000 1 1020 185 95 GLN N N 116.814 0.051 1 1021 185 95 GLN NE2 N 110.239 0.043 1 1022 186 96 HIS H H 8.2 0.006 1 1023 186 96 HIS HA H 4.581 0.019 1 1024 186 96 HIS HB2 H 3.145 0.006 1 1025 186 96 HIS HB3 H 3.381 0.022 1 1026 186 96 HIS HD2 H 6.769 0.000 1 1027 186 96 HIS C C 177.421 0.000 1 1028 186 96 HIS CA C 59.814 0.265 1 1029 186 96 HIS CB C 32.025 0.291 1 1030 186 96 HIS N N 118.096 0.043 1 1031 187 97 THR H H 8.186 0.020 1 1032 187 97 THR HA H 4.181 0.010 1 1033 187 97 THR HB H 4.271 0.022 1 1034 187 97 THR HG2 H 1.302 0.013 1 1035 187 97 THR C C 176.079 0.000 1 1036 187 97 THR CA C 65.151 0.234 1 1037 187 97 THR CB C 69.271 0.205 1 1038 187 97 THR CG2 C 22.099 0.112 1 1039 187 97 THR N N 113.23 0.054 1 1040 188 98 VAL H H 8.017 0.009 1 1041 188 98 VAL HA H 4.037 0.024 1 1042 188 98 VAL HB H 2.214 0.000 1 1043 188 98 VAL HG1 H 1.221 0.002 1 1044 188 98 VAL HG2 H 0.749 0.007 1 1045 188 98 VAL C C 177.971 0.011 1 1046 188 98 VAL CA C 65.418 0.178 1 1047 188 98 VAL CB C 32.204 0.113 1 1048 188 98 VAL CG1 C 21.803 0.015 1 1049 188 98 VAL CG2 C 23.729 0.024 1 1050 188 98 VAL N N 122.358 0.059 1 1051 189 99 THR H H 8.133 0.010 1 1052 189 99 THR HA H 4.198 0.015 1 1053 189 99 THR HB H 4.288 0.033 1 1054 189 99 THR HG2 H 1.293 0.015 1 1055 189 99 THR C C 176.118 0.002 1 1056 189 99 THR CA C 64.549 0.069 1 1057 189 99 THR CB C 69.133 0.114 1 1058 189 99 THR CG2 C 22.165 0.084 1 1059 189 99 THR N N 115.646 0.056 1 1060 190 100 THR H H 7.993 0.002 1 1061 190 100 THR HA H 4.149 0.022 1 1062 190 100 THR HB H 4.443 0.008 1 1063 190 100 THR HG2 H 0.934 0.027 1 1064 190 100 THR C C 176.291 0.013 1 1065 190 100 THR CA C 64.44 0.005 1 1066 190 100 THR CB C 69.041 0.105 1 1067 190 100 THR CG2 C 21.984 0.000 1 1068 190 100 THR N N 115.122 0.025 1 1069 191 101 THR H H 8.161 0.005 1 1070 191 101 THR HA H 4.395 0.015 1 1071 191 101 THR HB H 4.366 0.012 1 1072 191 101 THR HG2 H 1.332 0.017 1 1073 191 101 THR C C 177.202 0.021 1 1074 191 101 THR CA C 64.853 0.301 1 1075 191 101 THR CB C 69.183 0.207 1 1076 191 101 THR CG2 C 21.947 0.136 1 1077 191 101 THR N N 116.681 0.092 1 1078 192 102 THR H H 7.976 0.008 1 1079 192 102 THR HA H 4.216 0.015 1 1080 192 102 THR HB H 4.307 0.040 1 1081 192 102 THR HG2 H 1.304 0.019 1 1082 192 102 THR C C 175.139 0.039 1 1083 192 102 THR CA C 64.292 0.117 1 1084 192 102 THR CB C 69.143 0.217 1 1085 192 102 THR CG2 C 22.159 0.025 1 1086 192 102 THR N N 116.471 0.028 1 1087 193 103 LYS H H 7.753 0.030 1 1088 193 103 LYS HA H 4.373 0.023 1 1089 193 103 LYS HB2 H 2.002 0.012 1 1090 193 103 LYS HB3 H 1.86 0.019 1 1091 193 103 LYS HG2 H 1.501 0.013 1 1092 193 103 LYS HG3 H 1.646 0.001 1 1093 193 103 LYS HD2 H 1.698 0.020 1 1094 193 103 LYS HD3 H 1.698 0.020 1 1095 193 103 LYS HE2 H 2.945 0.030 1 1096 193 103 LYS HE3 H 2.945 0.030 1 1097 193 103 LYS C C 176.81 0.008 1 1098 193 103 LYS CA C 56.63 0.124 1 1099 193 103 LYS CB C 32.867 0.153 1 1100 193 103 LYS CG C 25.353 0.303 1 1101 193 103 LYS CD C 29.032 0.249 1 1102 193 103 LYS CE C 42.217 0.200 1 1103 193 103 LYS N N 120.731 0.109 1 1104 194 104 GLY H H 8.045 0.015 1 1105 194 104 GLY HA2 H 4.106 0.008 1 1106 194 104 GLY HA3 H 3.834 0.006 1 1107 194 104 GLY C C 174.23 0.026 1 1108 194 104 GLY CA C 45.593 0.027 1 1109 194 104 GLY N N 108.603 0.099 1 1110 195 105 GLU H H 7.675 0.021 1 1111 195 105 GLU HA H 4.289 0.010 1 1112 195 105 GLU HB2 H 1.644 0.018 1 1113 195 105 GLU HB3 H 1.619 0.010 1 1114 195 105 GLU HG2 H 2.071 0.019 1 1115 195 105 GLU HG3 H 1.952 0.006 1 1116 195 105 GLU C C 175.136 0.036 1 1117 195 105 GLU CA C 55.841 0.174 1 1118 195 105 GLU CB C 31.328 0.293 1 1119 195 105 GLU CG C 36.207 0.278 1 1120 195 105 GLU N N 120.091 0.025 1 1121 196 106 ASN H H 8.451 0.004 1 1122 196 106 ASN HA H 4.713 0.013 1 1123 196 106 ASN HB2 H 2.659 0.011 1 1124 196 106 ASN HB3 H 2.616 0.011 1 1125 196 106 ASN HD21 H 7.54 0.000 1 1126 196 106 ASN HD22 H 6.817 0.000 1 1127 196 106 ASN C C 174.128 0.052 1 1128 196 106 ASN CA C 52.966 0.114 1 1129 196 106 ASN CB C 41.009 0.384 1 1130 196 106 ASN N N 119.609 0.095 1 1131 196 106 ASN ND2 N 112.658 0.033 1 1132 197 107 PHE H H 8.583 0.007 1 1133 197 107 PHE HA H 5.27 0.071 1 1134 197 107 PHE HB2 H 3.202 0.008 1 1135 197 107 PHE HB3 H 2.967 0.015 1 1136 197 107 PHE HD1 H 7.361 0.012 1 1137 197 107 PHE HD2 H 7.491 0.010 1 1138 197 107 PHE HE1 H 6.913 0.007 1 1139 197 107 PHE HE2 H 6.647 0.014 1 1140 197 107 PHE C C 176.615 0.022 1 1141 197 107 PHE CA C 56.875 0.165 1 1142 197 107 PHE CB C 40.804 0.261 1 1143 197 107 PHE N N 121.906 0.036 1 1144 198 108 THR H H 9.577 0.012 1 1145 198 108 THR HA H 4.642 0.014 1 1146 198 108 THR HB H 4.828 0.020 1 1147 198 108 THR HG2 H 1.43 0.009 1 1148 198 108 THR C C 175.395 0.000 1 1149 198 108 THR CA C 60.697 0.232 1 1150 198 108 THR CB C 72.275 0.191 1 1151 198 108 THR CG2 C 21.938 0.226 1 1152 198 108 THR N N 115.859 0.036 1 1153 199 109 GLU H H 9.07 0.012 1 1154 199 109 GLU HA H 4.053 0.014 1 1155 199 109 GLU HB2 H 1.967 0.000 1 1156 199 109 GLU HB3 H 2.1 0.000 1 1157 199 109 GLU HG2 H 2.392 0.008 1 1158 199 109 GLU HG3 H 2.33 0.020 1 1159 199 109 GLU C C 179.051 0.007 1 1160 199 109 GLU CA C 60.252 0.218 1 1161 199 109 GLU CB C 29.316 0.140 1 1162 199 109 GLU CG C 36.701 0.255 1 1163 199 109 GLU N N 119.724 0.026 1 1164 200 110 THR H H 7.914 0.005 1 1165 200 110 THR HA H 3.798 0.014 1 1166 200 110 THR HB H 3.717 0.014 1 1167 200 110 THR HG2 H 0.638 0.005 1 1168 200 110 THR C C 175.282 0.000 1 1169 200 110 THR CA C 66.956 0.182 1 1170 200 110 THR CB C 68.846 0.153 1 1171 200 110 THR CG2 C 21.421 0.047 1 1172 200 110 THR N N 116.331 0.022 1 1173 201 111 ASP H H 7.481 0.004 1 1174 201 111 ASP HA H 4.532 0.015 1 1175 201 111 ASP HB2 H 3.391 0.013 1 1176 201 111 ASP HB3 H 2.557 0.040 1 1177 201 111 ASP CA C 58.587 0.156 1 1178 201 111 ASP CB C 42.274 0.247 1 1179 201 111 ASP N N 119.524 0.049 1 1180 202 112 ILE H H 8.068 0.010 1 1181 202 112 ILE HA H 3.434 0.017 1 1182 202 112 ILE HB H 1.954 0.012 1 1183 202 112 ILE HG12 H 1.552 0.016 1 1184 202 112 ILE HG13 H 1.296 0.015 1 1185 202 112 ILE HG2 H 0.842 0.009 1 1186 202 112 ILE HD1 H 0.722 0.012 1 1187 202 112 ILE C C 177.356 0.006 1 1188 202 112 ILE CA C 64.771 0.226 1 1189 202 112 ILE CB C 37.122 0.234 1 1190 202 112 ILE CG1 C 28.767 0.294 1 1191 202 112 ILE CG2 C 17.558 0.161 1 1192 202 112 ILE CD1 C 11.564 0.318 1 1193 202 112 ILE N N 118.956 0.060 1 1194 203 113 LYS H H 7.742 0.013 1 1195 203 113 LYS HA H 4.059 0.015 1 1196 203 113 LYS HB2 H 1.881 0.017 1 1197 203 113 LYS HB3 H 1.63 0.010 1 1198 203 113 LYS HG2 H 1.571 0.012 1 1199 203 113 LYS HG3 H 1.413 0.009 1 1200 203 113 LYS HD2 H 1.663 0.006 1 1201 203 113 LYS HD3 H 1.663 0.006 1 1202 203 113 LYS HE2 H 2.916 0.012 1 1203 203 113 LYS HE3 H 2.916 0.012 1 1204 203 113 LYS C C 180.165 0.000 1 1205 203 113 LYS CA C 59.612 0.168 1 1206 203 113 LYS CB C 32.581 0.131 1 1207 203 113 LYS CG C 25.575 0.254 1 1208 203 113 LYS CD C 29.421 0.029 1 1209 203 113 LYS CE C 41.71 0.000 1 1210 203 113 LYS N N 119.559 0.051 1 1211 204 114 ILE H H 7.979 0.006 1 1212 204 114 ILE HA H 3.626 0.012 1 1213 204 114 ILE HB H 1.933 0.012 1 1214 204 114 ILE HG12 H 1.563 0.011 1 1215 204 114 ILE HG13 H 0.819 0.018 1 1216 204 114 ILE HG2 H 0.802 0.006 1 1217 204 114 ILE HD1 H 0.646 0.016 1 1218 204 114 ILE C C 177.724 0.000 1 1219 204 114 ILE CA C 65.022 0.223 1 1220 204 114 ILE CB C 37.736 0.215 1 1221 204 114 ILE CG1 C 29.018 0.173 1 1222 204 114 ILE CG2 C 18.934 0.275 1 1223 204 114 ILE CD1 C 13.901 0.276 1 1224 204 114 ILE N N 119.847 0.055 1 1225 205 115 MET H H 8.817 0.030 1 1226 205 115 MET HA H 3.446 0.015 1 1227 205 115 MET HB2 H 1.979 0.019 1 1228 205 115 MET HB3 H 1.666 0.014 1 1229 205 115 MET HG2 H 2.074 0.018 1 1230 205 115 MET HG3 H 2.005 0.010 1 1231 205 115 MET HE H 1.494 0.009 1 1232 205 115 MET C C 177.811 0.013 1 1233 205 115 MET CA C 60.402 0.257 1 1234 205 115 MET CB C 34.092 0.307 1 1235 205 115 MET CG C 32.434 0.156 1 1236 205 115 MET CE C 16.601 0.028 1 1237 205 115 MET N N 119.264 0.038 1 1238 206 116 GLU H H 8.526 0.008 1 1239 206 116 GLU HA H 3.635 0.009 1 1240 206 116 GLU HB2 H 2.208 0.013 1 1241 206 116 GLU HB3 H 1.964 0.005 1 1242 206 116 GLU HG2 H 2.568 0.018 1 1243 206 116 GLU HG3 H 2.124 0.008 1 1244 206 116 GLU C C 178.321 0.000 1 1245 206 116 GLU CA C 60.849 0.235 1 1246 206 116 GLU CB C 29.061 0.100 1 1247 206 116 GLU CG C 37.266 0.366 1 1248 206 116 GLU N N 117.203 0.057 1 1249 207 117 ARG H H 7.215 0.008 1 1250 207 117 ARG HA H 4.145 0.023 1 1251 207 117 ARG HB2 H 1.928 0.010 1 1252 207 117 ARG HB3 H 1.871 0.007 1 1253 207 117 ARG HG2 H 1.631 0.008 1 1254 207 117 ARG HG3 H 1.804 0.025 1 1255 207 117 ARG HD2 H 3.271 0.037 1 1256 207 117 ARG HD3 H 3.188 0.009 1 1257 207 117 ARG HE H 7.317 0.009 1 1258 207 117 ARG C C 179.216 0.004 1 1259 207 117 ARG CA C 58.865 0.228 1 1260 207 117 ARG CB C 30.618 0.289 1 1261 207 117 ARG CG C 27.617 0.104 1 1262 207 117 ARG CD C 43.89 0.142 1 1263 207 117 ARG N N 118.06 0.064 1 1264 207 117 ARG NE N 87.89 0.037 1 1265 208 118 VAL H H 8.27 0.008 1 1266 208 118 VAL HA H 3.518 0.021 1 1267 208 118 VAL HB H 2.11 0.009 1 1268 208 118 VAL HG1 H 1.11 0.016 1 1269 208 118 VAL HG2 H 1.041 0.023 1 1270 208 118 VAL C C 177.781 0.010 1 1271 208 118 VAL CA C 66.515 0.224 1 1272 208 118 VAL CB C 32.726 0.197 1 1273 208 118 VAL CG1 C 21.663 0.213 1 1274 208 118 VAL CG2 C 23.917 0.140 1 1275 208 118 VAL N N 120.393 0.071 1 1276 209 119 VAL H H 9.002 0.012 1 1277 209 119 VAL HA H 3.659 0.011 1 1278 209 119 VAL HB H 2.18 0.014 1 1279 209 119 VAL HG1 H 0.951 0.017 1 1280 209 119 VAL HG2 H 1.223 0.012 1 1281 209 119 VAL C C 177.464 0.000 1 1282 209 119 VAL CA C 66.361 0.210 1 1283 209 119 VAL CB C 31.551 0.239 1 1284 209 119 VAL CG1 C 24.702 0.242 1 1285 209 119 VAL CG2 C 25.387 0.077 1 1286 209 119 VAL N N 119.272 0.040 1 1287 210 120 GLU H H 8.144 0.009 1 1288 210 120 GLU HA H 3.557 0.009 1 1289 210 120 GLU HB2 H 2.162 0.006 1 1290 210 120 GLU HG2 H 2.138 0.006 1 1291 210 120 GLU HG3 H 2.333 0.006 1 1292 210 120 GLU C C 177.572 0.000 1 1293 210 120 GLU CA C 61.157 0.073 1 1294 210 120 GLU CB C 29.579 0.183 1 1295 210 120 GLU CG C 36.545 0.133 1 1296 210 120 GLU N N 121.272 0.054 1 1297 211 121 GLN H H 7.205 0.011 1 1298 211 121 GLN HA H 3.959 0.014 1 1299 211 121 GLN HB2 H 2.176 0.007 1 1300 211 121 GLN HB3 H 2.224 0.007 1 1301 211 121 GLN HG2 H 2.489 0.013 1 1302 211 121 GLN HG3 H 2.408 0.013 1 1303 211 121 GLN HE21 H 7.577 0.001 1 1304 211 121 GLN HE22 H 6.86 0.008 1 1305 211 121 GLN C C 178.878 0.000 1 1306 211 121 GLN CA C 58.872 0.277 1 1307 211 121 GLN CB C 28.111 0.202 1 1308 211 121 GLN CG C 34.137 0.145 1 1309 211 121 GLN N N 115.038 0.042 1 1310 211 121 GLN NE2 N 111.433 0.010 1 1311 212 122 MET H H 7.97 0.010 1 1312 212 122 MET HA H 4.107 0.019 1 1313 212 122 MET HB2 H 2.184 0.012 1 1314 212 122 MET HB3 H 2.324 0.014 1 1315 212 122 MET HG2 H 2.745 0.015 1 1316 212 122 MET HG3 H 2.494 0.012 1 1317 212 122 MET HE H 2.18 0.007 1 1318 212 122 MET C C 178.384 0.002 1 1319 212 122 MET CA C 60.147 0.214 1 1320 212 122 MET CB C 36.079 0.088 1 1321 212 122 MET CG C 32.745 0.101 1 1322 212 122 MET CE C 18.019 0.023 1 1323 212 122 MET N N 119.414 0.040 1 1324 213 123 CYS H H 9.244 0.007 1 1325 213 123 CYS HA H 4.37 0.017 1 1326 213 123 CYS HB2 H 3.55 0.011 1 1327 213 123 CYS HB3 H 2.863 0.019 1 1328 213 123 CYS C C 176.857 0.000 1 1329 213 123 CYS CA C 60.243 0.237 1 1330 213 123 CYS CB C 42.406 0.262 1 1331 213 123 CYS N N 119.042 0.070 1 1332 214 124 ILE H H 8.351 0.008 1 1333 214 124 ILE HA H 3.47 0.015 1 1334 214 124 ILE HB H 1.97 0.017 1 1335 214 124 ILE HG12 H 1.549 0.010 1 1336 214 124 ILE HG13 H 1.308 0.010 1 1337 214 124 ILE HG2 H 0.853 0.014 1 1338 214 124 ILE HD1 H 0.825 0.010 1 1339 214 124 ILE C C 177.739 0.000 1 1340 214 124 ILE CA C 67.047 0.216 1 1341 214 124 ILE CB C 38.763 0.070 1 1342 214 124 ILE CG1 C 28.77 0.173 1 1343 214 124 ILE CG2 C 17.44 0.223 1 1344 214 124 ILE CD1 C 14.473 0.050 1 1345 214 124 ILE N N 123.676 0.041 1 1346 215 125 THR H H 8.092 0.008 1 1347 215 125 THR HA H 3.886 0.010 1 1348 215 125 THR HB H 4.307 0.011 1 1349 215 125 THR HG2 H 1.24 0.011 1 1350 215 125 THR C C 176.495 0.000 1 1351 215 125 THR CA C 67.289 0.198 1 1352 215 125 THR CB C 68.571 0.202 1 1353 215 125 THR CG2 C 22.448 0.172 1 1354 215 125 THR N N 118.32 0.102 1 1355 216 126 GLN H H 8.745 0.011 1 1356 216 126 GLN HA H 3.682 0.018 1 1357 216 126 GLN HB2 H 2.324 0.009 2 1358 216 126 GLN HG2 H 1.653 0.020 2 1359 216 126 GLN C C 177.68 0.002 1 1360 216 126 GLN CA C 59.039 0.220 1 1361 216 126 GLN CB C 28.602 0.140 1 1362 216 126 GLN CG C 33.385 0.000 1 1363 216 126 GLN N N 122.543 0.057 1 1364 217 127 TYR H H 8.505 0.006 1 1365 217 127 TYR HA H 2.94 0.012 1 1366 217 127 TYR HB2 H 2.567 0.007 1 1367 217 127 TYR HB3 H 2.115 0.016 1 1368 217 127 TYR HD1 H 6.199 0.039 1 1369 217 127 TYR HE1 H 7.139 0.004 3 1370 217 127 TYR HE2 H 8.287 0.000 1 1371 217 127 TYR C C 178.468 0.000 1 1372 217 127 TYR CA C 62.388 0.189 1 1373 217 127 TYR CB C 37.413 0.095 1 1374 217 127 TYR N N 120.064 0.033 1 1375 218 128 GLN H H 8.346 0.030 1 1376 218 128 GLN HA H 3.747 0.006 1 1377 218 128 GLN HB2 H 2.337 0.006 1 1378 218 128 GLN HB3 H 2.088 0.006 1 1379 218 128 GLN HG2 H 2.723 0.010 1 1380 218 128 GLN HG3 H 2.48 0.010 1 1381 218 128 GLN CA C 59.28 0.214 1 1382 218 128 GLN CB C 27.933 0.088 1 1383 218 128 GLN CG C 34.058 0.228 1 1384 218 128 GLN N N 120.275 0.368 1 1385 219 129 GLN H H 8.268 0.071 1 1386 219 129 GLN HA H 4.004 0.011 1 1387 219 129 GLN HB2 H 2.098 0.013 1 1388 219 129 GLN HB3 H 2.04 0.000 1 1389 219 129 GLN HG2 H 2.346 0.016 1 1390 219 129 GLN HG3 H 2.448 0.028 1 1391 219 129 GLN C C 179.608 0.013 1 1392 219 129 GLN CA C 59.144 0.243 1 1393 219 129 GLN CB C 28.913 0.188 1 1394 219 129 GLN CG C 34.29 0.166 1 1395 219 129 GLN N N 119.006 0.053 1 1396 220 130 GLU H H 8.504 0.007 1 1397 220 130 GLU HA H 4.087 0.016 1 1398 220 130 GLU HB2 H 2.172 0.010 1 1399 220 130 GLU HB3 H 1.887 0.012 1 1400 220 130 GLU HG2 H 2.19 0.009 1 1401 220 130 GLU HG3 H 2.411 0.013 1 1402 220 130 GLU C C 179.687 0.046 1 1403 220 130 GLU CA C 58.356 0.182 1 1404 220 130 GLU CB C 30.593 0.307 1 1405 220 130 GLU CG C 37.105 0.087 1 1406 220 130 GLU N N 118.879 0.042 1 1407 221 131 SER H H 8.449 0.007 1 1408 221 131 SER HA H 3.968 0.011 1 1409 221 131 SER HB2 H 3.574 0.015 1 1410 221 131 SER HB3 H 3.367 0.007 1 1411 221 131 SER C C 176.632 0.001 1 1412 221 131 SER CA C 61.768 0.205 1 1413 221 131 SER CB C 62.394 0.213 1 1414 221 131 SER N N 116.762 0.048 1 1415 222 132 GLN H H 7.828 0.006 1 1416 222 132 GLN HA H 4.174 0.005 1 1417 222 132 GLN HB2 H 2.147 0.006 2 1418 222 132 GLN HG2 H 2.483 0.010 1 1419 222 132 GLN HG3 H 2.432 0.009 1 1420 222 132 GLN HE21 H 7.431 0.001 1 1421 222 132 GLN HE22 H 6.789 0.016 1 1422 222 132 GLN C C 178.058 0.006 1 1423 222 132 GLN CA C 58.719 0.181 1 1424 222 132 GLN CB C 28.381 0.174 1 1425 222 132 GLN CG C 34.107 0.165 1 1426 222 132 GLN N N 122.383 0.034 1 1427 222 132 GLN NE2 N 110.795 0.108 1 1428 223 133 ALA H H 7.842 0.009 1 1429 223 133 ALA HA H 4.193 0.011 1 1430 223 133 ALA HB H 1.504 0.015 1 1431 223 133 ALA C C 180.081 0.049 1 1432 223 133 ALA CA C 55.095 0.178 1 1433 223 133 ALA CB C 18.403 0.173 1 1434 223 133 ALA N N 122.285 0.043 1 1435 224 134 ALA H H 8.004 0.009 1 1436 224 134 ALA HA H 4.067 0.014 1 1437 224 134 ALA HB H 1.455 0.012 1 1438 224 134 ALA C C 180.264 0.000 1 1439 224 134 ALA CA C 55.2 0.161 1 1440 224 134 ALA CB C 18.401 0.166 1 1441 224 134 ALA N N 120.813 0.026 1 1442 225 135 TYR H H 7.969 0.002 1 1443 225 135 TYR HA H 4.325 0.013 1 1444 225 135 TYR HB2 H 3.197 0.012 1 1445 225 135 TYR HB3 H 3.174 0.010 1 1446 225 135 TYR HD1 H 7.128 0.011 3 1447 225 135 TYR C C 177.633 0.000 1 1448 225 135 TYR CA C 60.709 0.209 1 1449 225 135 TYR CB C 38.235 0.171 1 1450 225 135 TYR CD1 C 128.978 0.000 1 1451 225 135 TYR CD2 C 128.978 0.000 1 1452 225 135 TYR N N 120.68 0.018 1 1453 226 136 GLN H H 8.107 0.006 1 1454 226 136 GLN HA H 3.922 0.014 1 1455 226 136 GLN HB2 H 2.174 0.006 1 1456 226 136 GLN HB3 H 2.174 0.006 1 1457 226 136 GLN HG2 H 2.502 0.014 2 1458 226 136 GLN HE21 H 7.577 0.002 1 1459 226 136 GLN HE22 H 6.868 0.000 1 1460 226 136 GLN C C 178.66 0.002 1 1461 226 136 GLN CA C 58.486 0.141 1 1462 226 136 GLN CB C 28.412 0.269 1 1463 226 136 GLN CG C 33.93 0.256 1 1464 226 136 GLN N N 118.465 0.038 1 1465 226 136 GLN NE2 N 111.469 0.172 1 1466 227 137 ARG H H 8.07 0.007 1 1467 227 137 ARG HA H 4.116 0.011 1 1468 227 137 ARG HB2 H 1.95 0.007 1 1469 227 137 ARG HB3 H 1.858 0.026 1 1470 227 137 ARG HG2 H 1.616 0.011 1 1471 227 137 ARG HG3 H 1.825 0.013 1 1472 227 137 ARG HD2 H 3.288 0.021 1 1473 227 137 ARG HD3 H 3.154 0.024 1 1474 227 137 ARG HE H 7.302 0.039 1 1475 227 137 ARG C C 178.443 0.000 1 1476 227 137 ARG CA C 58.934 0.159 1 1477 227 137 ARG CB C 30.582 0.154 1 1478 227 137 ARG CG C 28.048 0.379 1 1479 227 137 ARG CD C 43.721 0.217 1 1480 227 137 ARG N N 119.037 0.063 1 1481 227 137 ARG NE N 87.857 0.025 1 1482 228 138 ALA H H 7.732 0.003 1 1483 228 138 ALA HA H 4.486 0.023 1 1484 228 138 ALA HB H 1.447 0.007 1 1485 228 138 ALA C C 179.569 0.024 1 1486 228 138 ALA CA C 54.266 0.144 1 1487 228 138 ALA CB C 18.4 0.177 1 1488 228 138 ALA N N 122.057 0.028 1 stop_ save_