data_6953 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution of rabbit Prion Protein (91-228) ; _BMRB_accession_number 6953 _BMRB_flat_file_name bmr6953.str _Entry_type original _Submission_date 2006-01-27 _Accession_date 2006-01-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li J. . . 2 Lin D. H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 799 "13C chemical shifts" 532 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-10-15 update author 'complete the chemical shift reference' 2007-09-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments 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 J. . . 2 Mei F. H. . 3 Xiao G. F. . 4 Lin D. H. . 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' 'membrane protein' stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'Major prion protein' _Abbreviation_common 'Major prion protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Major prion protein' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Major prion protein' _Abbreviation_common 'Major 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 2014-11-08 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 7.65e-97 BMRB 15399 "rpp I214V" 100.00 138 99.28 100.00 1.63e-98 BMRB 16328 prion_protein 100.00 145 99.28 100.00 6.09e-98 BMRB 16616 prion 100.00 145 99.28 100.00 1.95e-98 BMRB 7142 "prion protein" 100.00 138 100.00 100.00 8.67e-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 1.68e-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 5.68e-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 4.93e-67 PDB 2FJ3 "Nmr Solution Of Rabbit Prion Protein (91-228)" 100.00 138 100.00 100.00 8.67e-99 PDB 2JOH "Nmr Structure Of Rabbit Prion Protein Mutation S173n" 100.00 148 99.28 100.00 3.85e-98 PDB 2JOM "Nmr Structure Of Rabbit Prion Protein Mutation I214v" 100.00 148 99.28 100.00 1.76e-98 PDB 3O79 "Crystal Structure Of Wild-Type Rabbit Prp 126-230" 75.36 105 100.00 100.00 2.84e-71 PDB 4HLS "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n)" 79.71 132 99.09 100.00 9.33e-75 PDB 4HMM "Crystal Structure Of Mutant Rabbit Prp 121-230 (s174n)" 79.71 132 99.09 100.00 9.33e-75 PDB 4HMR "Crystal Structure Of Mutant Rabbit Prp 121-230 (s170n/s174n)" 79.71 132 98.18 100.00 3.81e-74 EMBL CBK44083 "prnp [Sciurus lis]" 93.48 180 96.90 100.00 1.50e-88 GB AAC48697 "major prion protein [Oryctolagus cuniculus]" 100.00 252 100.00 100.00 7.73e-97 GB AAD01554 "prion protein [Oryctolagus cuniculus]" 99.28 254 100.00 100.00 4.62e-96 GB ABL75505 "prion protein, partial [Oryctolagus cuniculus]" 100.00 244 100.00 100.00 8.14e-97 GB AEM44421 "prion protein [Ovis aries]" 70.29 97 97.94 98.97 7.79e-64 GB AEM44422 "prion protein [Ovis aries]" 70.29 97 97.94 98.97 1.67e-63 REF NP_001075490 "major prion protein precursor [Oryctolagus cuniculus]" 99.28 254 100.00 100.00 4.62e-96 REF XP_008254357 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 100.00 252 100.00 100.00 7.73e-97 REF XP_008254358 "PREDICTED: major prion protein isoform X1 [Oryctolagus cuniculus]" 100.00 252 100.00 100.00 7.73e-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 7.73e-97 stop_ save_ ######################################## # Molecular bond linkage definitions # ######################################## save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name single disulfide 'Major prion protein' 88 CYS SG 'Major prion protein' 123 CYS SG stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 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 $entity 'recombiant technology' . . . . . 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 $entity 1 mM '[U-15N; U-13C]' 'acetate buffer' 20 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task processing stop_ _Details Delaglio save_ save_aria _Saveframe_category software _Name aria _Version 1.2 loop_ _Task 'structure solution' refinement stop_ _Details Nigles 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_HNCA-J_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA-J _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 . pH temperature 298 . K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Major 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 . 1 GLN HA H 4.423 0.003 1 2 . 1 GLN HB2 H 2.047 0.023 1 3 . 1 GLN HB3 H 2.047 0.023 1 4 . 1 GLN HG2 H 2.400 0.013 1 5 . 1 GLN HG3 H 2.400 0.013 1 6 . 1 GLN HE21 H 6.867 0.001 1 7 . 1 GLN HE22 H 7.522 0.001 1 8 . 1 GLN C C 176.095 0.002 1 9 . 1 GLN CA C 56.145 0.026 1 10 . 1 GLN CB C 29.725 0.114 1 11 . 1 GLN CG C 33.678 0.063 1 12 . 1 GLN NE2 N 111.846 0.082 1 13 . 2 GLY H H 8.610 0.001 1 14 . 2 GLY HA2 H 4.002 0.006 1 15 . 2 GLY HA3 H 4.002 0.006 1 16 . 2 GLY C C 174.514 0.036 1 17 . 2 GLY CA C 45.315 0.034 1 18 . 2 GLY N N 111.436 0.019 1 19 . 3 GLY H H 8.311 0.002 1 20 . 3 GLY HA2 H 4.010 0.005 1 21 . 3 GLY HA3 H 4.010 0.005 1 22 . 3 GLY C C 174.486 0.041 1 23 . 3 GLY CA C 45.331 0.128 1 24 . 3 GLY N N 108.625 0.038 1 25 . 4 THR H H 8.112 0.009 1 26 . 4 THR HA H 4.300 0.007 1 27 . 4 THR HB H 4.168 0.005 1 28 . 4 THR HG2 H 1.153 0.014 1 29 . 4 THR C C 174.613 0.054 1 30 . 4 THR CA C 62.003 0.160 1 31 . 4 THR CB C 69.891 0.140 1 32 . 4 THR CG2 C 21.674 0.213 1 33 . 4 THR N N 113.225 0.018 1 34 . 5 HIS H H 8.557 0.002 1 35 . 5 HIS HA H 4.616 0.034 1 36 . 5 HIS HB2 H 3.094 0.019 1 37 . 5 HIS HB3 H 3.157 0.034 1 38 . 5 HIS HD2 H 7.100 0.002 1 39 . 5 HIS C C 174.302 0.054 1 40 . 5 HIS CA C 55.665 0.356 1 41 . 5 HIS CB C 29.646 0.302 1 42 . 5 HIS N N 120.735 0.076 1 43 . 6 ASN H H 8.386 0.002 1 44 . 6 ASN HA H 4.578 0.015 1 45 . 6 ASN HB2 H 2.653 0.005 1 46 . 6 ASN HB3 H 2.653 0.005 1 47 . 6 ASN HD21 H 6.876 0.007 1 48 . 6 ASN HD22 H 7.498 0.002 1 49 . 6 ASN C C 175.153 0.043 1 50 . 6 ASN CA C 53.358 0.117 1 51 . 6 ASN CB C 38.890 0.167 1 52 . 6 ASN N N 119.928 0.022 1 53 . 6 ASN ND2 N 112.225 0.120 1 54 . 7 GLN H H 8.360 0.001 1 55 . 7 GLN HA H 4.216 0.007 1 56 . 7 GLN HB2 H 1.874 0.014 1 57 . 7 GLN HB3 H 1.815 0.008 1 58 . 7 GLN HG2 H 2.101 0.013 1 59 . 7 GLN HG3 H 2.060 0.004 1 60 . 7 GLN HE21 H 6.804 0.002 1 61 . 7 GLN HE22 H 7.340 0.002 1 62 . 7 GLN C C 175.655 0.026 1 63 . 7 GLN CA C 56.181 0.144 1 64 . 7 GLN CB C 29.238 0.176 1 65 . 7 GLN CG C 33.540 0.111 1 66 . 7 GLN N N 120.728 0.020 1 67 . 7 GLN NE2 N 111.712 0.070 1 68 . 8 TRP H H 8.121 0.001 1 69 . 8 TRP HA H 4.712 0.016 1 70 . 8 TRP HB2 H 3.220 0.002 1 71 . 8 TRP HB3 H 3.357 0.002 1 72 . 8 TRP HD1 H 7.643 0.020 1 73 . 8 TRP HE1 H 10.091 0.030 1 74 . 8 TRP HE3 H 7.238 0.023 1 75 . 8 TRP HZ3 H 6.632 0.004 1 76 . 8 TRP C C 176.696 0.020 1 77 . 8 TRP CA C 57.336 0.179 1 78 . 8 TRP CB C 29.810 0.057 1 79 . 8 TRP N N 121.826 0.024 1 80 . 8 TRP NE1 N 129.182 0.003 1 81 . 9 GLY H H 8.180 0.002 1 82 . 9 GLY HA2 H 3.854 0.004 1 83 . 9 GLY HA3 H 3.854 0.004 1 84 . 9 GLY C C 173.600 0.045 1 85 . 9 GLY CA C 45.224 0.056 1 86 . 9 GLY N N 110.260 0.020 1 87 . 10 LYS H H 8.045 0.001 1 88 . 10 LYS HA H 4.613 0.008 1 89 . 10 LYS HB2 H 1.812 0.012 1 90 . 10 LYS HB3 H 1.700 0.016 1 91 . 10 LYS HG2 H 1.457 0.005 1 92 . 10 LYS HG3 H 1.457 0.005 1 93 . 10 LYS HD2 H 1.699 0.016 1 94 . 10 LYS HD3 H 1.699 0.016 1 95 . 10 LYS HE2 H 2.998 0.002 1 96 . 10 LYS HE3 H 2.998 0.002 1 97 . 10 LYS C C 174.639 0.040 1 98 . 10 LYS CA C 54.340 0.209 1 99 . 10 LYS CB C 32.858 0.159 1 100 . 10 LYS CG C 25.109 0.039 1 101 . 10 LYS CD C 29.072 0.100 1 102 . 10 LYS CE C 41.964 0.005 1 103 . 10 LYS N N 121.811 0.022 1 104 . 11 PRO HA H 4.458 0.010 1 105 . 11 PRO HB2 H 1.906 0.013 1 106 . 11 PRO HB3 H 2.302 0.008 1 107 . 11 PRO HG2 H 2.018 0.011 1 108 . 11 PRO HG3 H 2.018 0.011 1 109 . 11 PRO HD2 H 3.829 0.005 1 110 . 11 PRO HD3 H 3.643 0.010 1 111 . 11 PRO C C 176.971 0.004 1 112 . 11 PRO CA C 63.201 0.193 1 113 . 11 PRO CB C 32.341 0.216 1 114 . 11 PRO CG C 27.615 0.251 1 115 . 11 PRO CD C 50.890 0.210 1 116 . 12 SER H H 8.431 0.001 1 117 . 12 SER HA H 4.433 0.010 1 118 . 12 SER HB2 H 3.838 0.004 1 119 . 12 SER HB3 H 3.838 0.004 1 120 . 12 SER C C 174.154 0.020 1 121 . 12 SER CA C 58.293 0.252 1 122 . 12 SER CB C 64.037 0.134 1 123 . 12 SER N N 116.987 0.024 1 124 . 13 LYS H H 8.324 0.001 1 125 . 13 LYS HA H 4.616 0.009 1 126 . 13 LYS HB2 H 1.759 0.020 1 127 . 13 LYS HB3 H 1.818 0.007 1 128 . 13 LYS HG2 H 1.464 0.006 1 129 . 13 LYS HG3 H 1.464 0.006 1 130 . 13 LYS HD2 H 1.696 0.013 1 131 . 13 LYS HD3 H 1.696 0.013 1 132 . 13 LYS HE2 H 2.991 0.019 1 133 . 13 LYS HE3 H 2.991 0.019 1 134 . 13 LYS C C 174.502 0.040 1 135 . 13 LYS CA C 54.372 0.154 1 136 . 13 LYS CB C 32.830 0.211 1 137 . 13 LYS CG C 24.713 0.183 1 138 . 13 LYS CD C 29.322 0.269 1 139 . 13 LYS CE C 41.995 0.156 1 140 . 13 LYS N N 124.227 0.018 1 141 . 14 PRO HA H 4.411 0.017 1 142 . 14 PRO HB2 H 2.301 0.009 1 143 . 14 PRO HB3 H 1.909 0.010 1 144 . 14 PRO HG2 H 2.023 0.008 1 145 . 14 PRO HG3 H 2.023 0.008 1 146 . 14 PRO HD2 H 3.833 0.009 1 147 . 14 PRO HD3 H 3.641 0.007 1 148 . 14 PRO CA C 63.285 0.388 1 149 . 14 PRO CB C 32.446 0.302 1 150 . 14 PRO CG C 27.683 0.246 1 151 . 14 PRO CD C 51.061 0.129 1 152 . 15 LYS H H 8.531 0.001 1 153 . 15 LYS HA H 4.340 0.008 1 154 . 15 LYS HB2 H 1.789 0.019 1 155 . 15 LYS HB3 H 1.845 0.022 1 156 . 15 LYS HG2 H 1.492 0.040 1 157 . 15 LYS HG3 H 1.356 0.025 1 158 . 15 LYS HD2 H 1.696 0.017 1 159 . 15 LYS HD3 H 1.696 0.017 1 160 . 15 LYS HE2 H 3.016 0.003 1 161 . 15 LYS HE3 H 3.016 0.003 1 162 . 15 LYS C C 176.948 0.010 1 163 . 15 LYS CA C 56.586 0.121 1 164 . 15 LYS CB C 33.018 0.161 1 165 . 15 LYS CG C 24.936 0.199 1 166 . 15 LYS CD C 28.906 0.123 1 167 . 15 LYS CE C 41.883 0.066 1 168 . 15 LYS N N 122.267 0.021 1 169 . 16 THR H H 8.134 0.002 1 170 . 16 THR HA H 4.377 0.030 1 171 . 16 THR HB H 4.201 0.015 1 172 . 16 THR HG1 H 1.209 0.005 1 173 . 16 THR HG2 H 1.221 0.016 1 174 . 16 THR C C 174.363 0.045 1 175 . 16 THR CA C 61.716 0.111 1 176 . 16 THR CB C 70.102 0.167 1 177 . 16 THR CG2 C 21.740 0.225 1 178 . 16 THR N N 115.564 0.022 1 179 . 17 SER H H 8.384 0.002 1 180 . 17 SER HA H 4.484 0.006 1 181 . 17 SER HB2 H 3.858 0.012 1 182 . 17 SER HB3 H 4.019 0.010 1 183 . 17 SER C C 174.380 0.006 1 184 . 17 SER CA C 58.185 0.126 1 185 . 17 SER CB C 64.039 0.192 1 186 . 17 SER N N 118.321 0.022 1 187 . 18 MET H H 8.407 0.001 1 188 . 18 MET HA H 4.484 0.006 1 189 . 18 MET HB2 H 2.036 0.015 1 190 . 18 MET HB3 H 1.979 0.004 1 191 . 18 MET HG2 H 2.553 0.011 1 192 . 18 MET HG3 H 2.518 0.002 1 193 . 18 MET HE H 2.087 0.001 1 194 . 18 MET C C 175.980 0.021 1 195 . 18 MET CA C 55.501 0.133 1 196 . 18 MET CB C 33.077 0.182 1 197 . 18 MET CG C 31.995 0.121 1 198 . 18 MET CE C 17.411 0.002 1 199 . 18 MET N N 122.919 0.023 1 200 . 19 LYS H H 8.289 0.001 1 201 . 19 LYS HA H 4.268 0.008 1 202 . 19 LYS HB2 H 1.728 0.010 1 203 . 19 LYS HB3 H 1.728 0.010 1 204 . 19 LYS HG2 H 1.384 0.026 1 205 . 19 LYS HG3 H 1.420 0.010 1 206 . 19 LYS HD2 H 1.654 0.010 1 207 . 19 LYS HD3 H 1.654 0.010 1 208 . 19 LYS HE2 H 2.964 0.021 1 209 . 19 LYS HE3 H 2.964 0.021 1 210 . 19 LYS C C 176.144 0.029 1 211 . 19 LYS CA C 56.434 0.210 1 212 . 19 LYS CB C 33.239 0.206 1 213 . 19 LYS CG C 25.103 0.308 1 214 . 19 LYS CD C 29.003 0.208 1 215 . 19 LYS CE C 41.877 0.060 1 216 . 19 LYS N N 122.837 0.030 1 217 . 20 HIS H H 8.561 0.005 1 218 . 20 HIS HA H 4.677 0.026 1 219 . 20 HIS HB2 H 3.112 0.019 1 220 . 20 HIS HB3 H 3.157 0.016 1 221 . 20 HIS HD1 H 7.096 0.007 1 222 . 20 HIS C C 174.753 0.584 1 223 . 20 HIS CA C 55.626 0.322 1 224 . 20 HIS CB C 29.985 0.242 1 225 . 20 HIS N N 120.919 0.038 1 226 . 21 VAL H H 8.215 0.003 1 227 . 21 VAL HA H 4.092 0.014 1 228 . 21 VAL HB H 2.028 0.011 1 229 . 21 VAL HG1 H 0.897 0.014 1 230 . 21 VAL HG2 H 1.000 0.005 1 231 . 21 VAL C C 175.533 0.009 1 232 . 21 VAL CA C 62.053 0.100 1 233 . 21 VAL CB C 33.069 0.154 1 234 . 21 VAL CG1 C 21.113 0.156 2 235 . 21 VAL N N 122.982 0.023 1 236 . 22 ALA H H 8.466 0.002 1 237 . 22 ALA HA H 4.309 0.013 1 238 . 22 ALA HB H 1.391 0.018 1 239 . 22 ALA C C 178.055 0.005 1 240 . 22 ALA CA C 52.712 0.119 1 241 . 22 ALA CB C 19.586 0.168 1 242 . 22 ALA N N 128.453 0.021 1 243 . 23 GLY H H 8.346 0.034 1 244 . 23 GLY HA2 H 3.941 0.007 1 245 . 23 GLY HA3 H 3.941 0.007 1 246 . 23 GLY C C 173.910 0.047 1 247 . 23 GLY CA C 45.285 0.154 1 248 . 23 GLY N N 108.596 0.318 1 249 . 24 ALA H H 8.153 0.001 1 250 . 24 ALA HA H 4.295 0.004 1 251 . 24 ALA HB H 1.386 0.011 1 252 . 24 ALA C C 177.687 0.010 1 253 . 24 ALA CA C 52.610 0.141 1 254 . 24 ALA CB C 19.412 0.215 1 255 . 24 ALA N N 123.952 0.015 1 256 . 25 ALA H H 8.291 0.001 1 257 . 25 ALA HA H 4.275 0.003 1 258 . 25 ALA HB H 1.379 0.010 1 259 . 25 ALA C C 177.635 0.010 1 260 . 25 ALA CA C 52.703 0.180 1 261 . 25 ALA CB C 19.468 0.010 1 262 . 25 ALA N N 123.455 0.011 1 263 . 26 ALA H H 8.206 0.010 1 264 . 26 ALA HA H 4.281 0.005 1 265 . 26 ALA HB H 1.377 0.002 1 266 . 26 ALA C C 177.570 0.005 1 267 . 26 ALA CA C 52.703 0.205 1 268 . 26 ALA CB C 19.520 0.003 1 269 . 26 ALA N N 123.478 0.005 1 270 . 27 ALA H H 8.218 0.006 1 271 . 27 ALA HA H 4.291 0.005 1 272 . 27 ALA HB H 1.388 0.009 1 273 . 27 ALA C C 178.259 0.015 1 274 . 27 ALA CA C 52.763 0.115 1 275 . 27 ALA CB C 19.518 0.115 1 276 . 27 ALA N N 123.453 0.019 1 277 . 28 GLY H H 8.288 0.019 1 278 . 28 GLY HA2 H 3.926 0.008 1 279 . 28 GLY HA3 H 3.926 0.008 1 280 . 28 GLY C C 173.786 0.044 1 281 . 28 GLY CA C 45.301 0.090 1 282 . 28 GLY N N 108.077 0.186 1 283 . 29 ALA H H 8.050 0.001 1 284 . 29 ALA HA H 4.349 0.006 1 285 . 29 ALA HB H 1.362 0.010 1 286 . 29 ALA C C 177.603 0.037 1 287 . 29 ALA CA C 52.465 0.120 1 288 . 29 ALA CB C 19.784 0.129 1 289 . 29 ALA N N 123.625 0.020 1 290 . 30 VAL H H 8.119 0.002 1 291 . 30 VAL HA H 4.130 0.009 1 292 . 30 VAL HB H 2.021 0.009 1 293 . 30 VAL HG1 H 0.960 0.020 1 294 . 30 VAL HG2 H 0.885 0.017 1 295 . 30 VAL C C 176.370 0.018 1 296 . 30 VAL CA C 62.288 0.169 1 297 . 30 VAL CB C 32.923 0.210 1 298 . 30 VAL CG2 C 20.820 0.001 1 299 . 30 VAL CG1 C 21.555 0.116 1 300 . 30 VAL N N 119.698 0.041 1 301 . 31 VAL H H 8.261 0.002 1 302 . 31 VAL HA H 4.084 0.008 1 303 . 31 VAL HB H 2.026 0.019 1 304 . 31 VAL HG1 H 0.899 0.015 2 305 . 31 VAL C C 176.624 0.033 1 306 . 31 VAL CA C 62.632 0.184 1 307 . 31 VAL CB C 32.901 0.144 1 308 . 31 VAL CG1 C 21.012 0.093 2 309 . 31 VAL N N 124.706 0.029 1 310 . 32 GLY H H 8.525 0.005 1 311 . 32 GLY C C 174.704 0.033 1 312 . 32 GLY CA C 45.510 0.122 1 313 . 32 GLY N N 113.205 0.022 1 314 . 33 GLY H H 8.247 0.004 1 315 . 33 GLY HA2 H 3.961 0.009 1 316 . 33 GLY HA3 H 3.961 0.009 1 317 . 33 GLY C C 174.454 0.051 1 318 . 33 GLY CA C 45.531 0.110 1 319 . 33 GLY N N 108.473 0.017 1 320 . 34 LEU H H 8.211 0.002 1 321 . 34 LEU HA H 4.343 0.007 1 322 . 34 LEU HB2 H 1.556 0.019 1 323 . 34 LEU HB3 H 1.602 0.018 1 324 . 34 LEU HG H 1.480 0.014 1 325 . 34 LEU HD1 H 0.641 0.016 1 326 . 34 LEU HD2 H 0.538 0.011 1 327 . 34 LEU C C 178.048 0.005 1 328 . 34 LEU CA C 55.209 0.162 1 329 . 34 LEU CB C 42.659 0.238 1 330 . 34 LEU CG C 27.066 0.246 1 331 . 34 LEU CD1 C 24.908 0.247 1 332 . 34 LEU CD2 C 23.745 0.252 1 333 . 34 LEU N N 121.645 0.019 1 334 . 35 GLY H H 8.520 0.004 1 335 . 35 GLY HA2 H 3.882 0.022 1 336 . 35 GLY C C 174.897 0.030 1 337 . 35 GLY CA C 46.584 0.189 1 338 . 35 GLY N N 109.804 0.031 1 339 . 36 GLY H H 8.370 0.007 1 340 . 36 GLY HA2 H 3.788 0.011 1 341 . 36 GLY HA3 H 3.921 0.014 1 342 . 36 GLY C C 174.022 0.028 1 343 . 36 GLY CA C 45.428 0.208 1 344 . 36 GLY N N 109.336 0.043 1 345 . 37 TYR H H 7.808 0.007 1 346 . 37 TYR HA H 4.416 0.010 1 347 . 37 TYR HB2 H 2.871 0.018 1 348 . 37 TYR HB3 H 2.938 0.016 1 349 . 37 TYR HD1 H 6.852 0.012 1 350 . 37 TYR HD2 H 6.972 0.013 1 351 . 37 TYR HE2 H 8.299 0.083 3 352 . 37 TYR HH H 8.591 0.030 1 353 . 37 TYR C C 175.671 0.050 1 354 . 37 TYR CA C 58.685 0.243 1 355 . 37 TYR CB C 40.454 0.237 1 356 . 37 TYR N N 118.075 0.043 1 357 . 38 MET H H 9.105 0.006 1 358 . 38 MET HA H 4.506 0.020 1 359 . 38 MET HB2 H 1.598 0.018 1 360 . 38 MET HB3 H 1.028 0.026 1 361 . 38 MET HG2 H 2.219 0.013 1 362 . 38 MET HG3 H 2.158 0.014 1 363 . 38 MET HE H 1.974 0.008 1 364 . 38 MET C C 173.112 0.041 1 365 . 38 MET CA C 54.019 0.168 1 366 . 38 MET CB C 34.641 0.284 1 367 . 38 MET CG C 32.053 0.288 1 368 . 38 MET CE C 17.569 0.020 1 369 . 38 MET N N 121.522 0.035 1 370 . 39 LEU H H 8.042 0.006 1 371 . 39 LEU HA H 4.527 0.017 1 372 . 39 LEU HB2 H 1.690 0.274 1 373 . 39 LEU HB3 H 1.320 0.687 1 374 . 39 LEU HG H 1.400 0.014 1 375 . 39 LEU HD1 H 0.626 0.074 1 376 . 39 LEU HD2 H 0.005 0.008 1 377 . 39 LEU C C 178.160 0.010 1 378 . 39 LEU CA C 53.747 0.206 1 379 . 39 LEU CB C 43.870 0.261 1 380 . 39 LEU CG C 26.177 0.180 1 381 . 39 LEU CD1 C 26.085 0.211 1 382 . 39 LEU CD2 C 22.127 0.209 1 383 . 39 LEU N N 121.479 0.031 1 384 . 40 GLY H H 9.347 0.008 1 385 . 40 GLY HA2 H 4.432 0.015 1 386 . 40 GLY HA3 H 4.453 0.005 1 387 . 40 GLY C C 172.969 0.040 1 388 . 40 GLY CA C 45.340 0.120 1 389 . 40 GLY N N 115.072 0.043 1 390 . 41 SER H H 8.351 0.008 1 391 . 41 SER HA H 4.409 0.005 1 392 . 41 SER HB2 H 3.949 0.023 1 393 . 41 SER HB3 H 3.901 0.006 1 394 . 41 SER C C 174.534 0.010 1 395 . 41 SER CA C 58.722 0.140 1 396 . 41 SER CB C 64.171 0.133 1 397 . 41 SER N N 113.680 0.025 1 398 . 42 ALA H H 8.606 0.003 1 399 . 42 ALA HA H 4.387 0.008 1 400 . 42 ALA HB H 1.267 0.016 1 401 . 42 ALA C C 177.606 0.004 1 402 . 42 ALA CA C 53.195 0.194 1 403 . 42 ALA CB C 18.713 0.209 1 404 . 42 ALA N N 124.942 0.029 1 405 . 43 MET H H 8.821 0.005 1 406 . 43 MET HA H 4.742 0.010 1 407 . 43 MET HB2 H 2.083 0.014 1 408 . 43 MET HB3 H 1.965 0.014 1 409 . 43 MET HG2 H 2.528 0.016 1 410 . 43 MET HG3 H 2.457 0.010 1 411 . 43 MET HE H 1.895 0.009 1 412 . 43 MET C C 175.869 0.004 1 413 . 43 MET CA C 54.200 0.179 1 414 . 43 MET CB C 37.001 0.141 1 415 . 43 MET CG C 31.631 0.188 1 416 . 43 MET CE C 17.133 0.006 1 417 . 43 MET N N 121.821 0.040 1 418 . 44 SER H H 8.435 0.003 1 419 . 44 SER HA H 4.350 0.009 1 420 . 44 SER HB2 H 3.749 0.004 1 421 . 44 SER HB3 H 3.796 0.017 1 422 . 44 SER C C 174.452 0.001 1 423 . 44 SER CA C 58.852 0.192 1 424 . 44 SER CB C 63.267 0.144 1 425 . 44 SER N N 116.423 0.078 1 426 . 45 ARG H H 8.595 0.006 1 427 . 45 ARG HA H 4.393 0.015 1 428 . 45 ARG HB2 H 1.865 0.015 1 429 . 45 ARG HB3 H 1.865 0.015 1 430 . 45 ARG HG2 H 1.693 0.012 1 431 . 45 ARG HG3 H 1.629 0.001 1 432 . 45 ARG HD2 H 3.047 0.023 1 433 . 45 ARG HD3 H 3.141 0.016 1 434 . 45 ARG HE H 8.611 0.001 1 435 . 45 ARG C C 175.010 0.005 1 436 . 45 ARG CA C 55.277 0.142 1 437 . 45 ARG CB C 29.247 0.054 1 438 . 45 ARG CG C 27.366 0.023 1 439 . 45 ARG CD C 44.228 0.269 1 440 . 45 ARG N N 126.165 0.063 1 441 . 45 ARG NE N 88.066 0.005 1 442 . 46 PRO HA H 4.402 0.021 1 443 . 46 PRO HB2 H 2.251 0.030 1 444 . 46 PRO HB3 H 1.893 0.015 1 445 . 46 PRO HG2 H 1.762 0.019 1 446 . 46 PRO HG3 H 2.042 0.016 1 447 . 46 PRO HD2 H 3.861 0.025 1 448 . 46 PRO HD3 H 3.640 0.008 1 449 . 46 PRO C C 176.239 0.002 1 450 . 46 PRO CA C 62.802 0.204 1 451 . 46 PRO CB C 32.635 0.167 1 452 . 46 PRO CG C 27.942 0.222 1 453 . 46 PRO CD C 51.109 0.068 1 454 . 47 LEU H H 8.667 0.005 1 455 . 47 LEU HA H 4.563 0.006 1 456 . 47 LEU HB2 H 1.656 0.014 1 457 . 47 LEU HB3 H 1.557 0.031 1 458 . 47 LEU HG H 1.607 0.012 1 459 . 47 LEU HD1 H 0.945 0.012 1 460 . 47 LEU HD2 H 0.880 0.008 1 461 . 47 LEU C C 176.035 0.001 1 462 . 47 LEU CA C 54.592 0.169 1 463 . 47 LEU CB C 40.359 0.220 1 464 . 47 LEU CG C 27.193 0.312 1 465 . 47 LEU CD1 C 24.812 0.183 1 466 . 47 LEU CD2 C 23.847 0.220 1 467 . 47 LEU N N 125.129 0.031 1 468 . 48 ILE H H 6.982 0.004 1 469 . 48 ILE HA H 3.945 0.015 1 470 . 48 ILE HB H 1.177 0.009 1 471 . 48 ILE HG12 H 0.712 0.016 1 472 . 48 ILE HG13 H 0.888 0.018 1 473 . 48 ILE HG2 H 0.052 0.009 1 474 . 48 ILE HD1 H 0.413 0.009 1 475 . 48 ILE C C 173.821 0.045 1 476 . 48 ILE CA C 59.698 0.178 1 477 . 48 ILE CB C 39.877 0.255 1 478 . 48 ILE CG1 C 26.909 0.298 1 479 . 48 ILE CG2 C 17.220 0.264 1 480 . 48 ILE CD1 C 13.400 0.295 1 481 . 48 ILE N N 122.414 0.033 1 482 . 49 HIS H H 8.301 0.003 1 483 . 49 HIS HA H 4.937 0.005 1 484 . 49 HIS HB2 H 3.286 0.008 1 485 . 49 HIS HB3 H 2.979 0.008 1 486 . 49 HIS HD1 H 12.479 0.002 1 487 . 49 HIS HD2 H 7.397 0.012 1 488 . 49 HIS HE1 H 7.168 0.020 1 489 . 49 HIS HE2 H 6.577 0.003 1 490 . 49 HIS C C 174.696 0.010 1 491 . 49 HIS CA C 54.351 0.189 1 492 . 49 HIS CB C 29.752 0.273 1 493 . 49 HIS N N 122.092 0.068 1 494 . 50 PHE H H 10.329 0.014 1 495 . 50 PHE HA H 4.234 0.019 1 496 . 50 PHE HB2 H 3.357 0.009 1 497 . 50 PHE HB3 H 2.859 0.015 1 498 . 50 PHE HD1 H 7.380 0.004 1 499 . 50 PHE HD2 H 7.380 0.004 1 500 . 50 PHE HE2 H 6.934 0.012 3 501 . 50 PHE HZ H 7.284 0.009 1 502 . 50 PHE C C 177.007 0.020 1 503 . 50 PHE CA C 60.081 0.162 1 504 . 50 PHE CB C 40.587 0.220 1 505 . 50 PHE N N 125.282 0.041 1 506 . 51 GLY H H 9.019 0.007 1 507 . 51 GLY HA2 H 4.125 0.008 1 508 . 51 GLY HA3 H 3.740 0.011 1 509 . 51 GLY C C 173.318 0.051 1 510 . 51 GLY CA C 45.860 0.130 1 511 . 51 GLY N N 108.876 0.044 1 512 . 52 ASN H H 7.248 0.008 1 513 . 52 ASN HA H 4.863 0.019 1 514 . 52 ASN HB2 H 2.815 0.014 1 515 . 52 ASN HB3 H 2.831 0.013 1 516 . 52 ASN HD21 H 7.545 0.010 1 517 . 52 ASN HD22 H 6.818 0.020 1 518 . 52 ASN C C 174.269 0.036 1 519 . 52 ASN CA C 52.760 0.148 1 520 . 52 ASN CB C 41.651 0.182 1 521 . 52 ASN N N 114.641 0.047 1 522 . 52 ASN ND2 N 112.647 0.037 1 523 . 53 ASP H H 8.964 0.007 1 524 . 53 ASP HA H 4.433 0.009 1 525 . 53 ASP HB2 H 2.942 0.020 1 526 . 53 ASP HB3 H 2.737 0.023 1 527 . 53 ASP C C 177.699 0.040 1 528 . 53 ASP CA C 58.005 0.200 1 529 . 53 ASP CB C 41.361 0.239 1 530 . 53 ASP N N 123.681 0.095 1 531 . 54 TYR H H 8.362 0.002 1 532 . 54 TYR HA H 4.217 0.019 1 533 . 54 TYR HB2 H 3.236 0.007 1 534 . 54 TYR HB3 H 3.049 0.008 1 535 . 54 TYR HD1 H 7.081 0.017 1 536 . 54 TYR HD2 H 7.081 0.017 1 537 . 54 TYR HE1 H 6.692 0.009 3 538 . 54 TYR C C 178.055 0.040 1 539 . 54 TYR CA C 61.830 0.238 1 540 . 54 TYR CB C 37.940 0.153 1 541 . 54 TYR N N 120.234 0.082 1 542 . 55 GLU H H 8.317 0.007 1 543 . 55 GLU HB2 H 1.890 0.016 1 544 . 55 GLU HB3 H 1.384 0.007 1 545 . 55 GLU HG2 H 2.484 0.014 1 546 . 55 GLU HG3 H 1.853 0.008 1 547 . 55 GLU C C 177.930 0.007 1 548 . 55 GLU CA C 60.144 0.226 1 549 . 55 GLU CB C 30.020 0.134 1 550 . 55 GLU CG C 38.506 0.244 1 551 . 55 GLU N N 119.668 0.028 1 552 . 56 ASP H H 8.023 0.010 1 553 . 56 ASP HA H 4.679 0.008 1 554 . 56 ASP HB2 H 2.944 0.018 1 555 . 56 ASP HB3 H 2.733 0.013 1 556 . 56 ASP C C 179.073 0.005 1 557 . 56 ASP CA C 58.932 0.222 1 558 . 56 ASP CB C 41.291 0.220 1 559 . 56 ASP N N 118.344 0.053 1 560 . 57 ARG H H 8.079 0.008 1 561 . 57 ARG HA H 4.006 0.015 1 562 . 57 ARG HB2 H 1.920 0.011 1 563 . 57 ARG HB3 H 1.832 0.002 1 564 . 57 ARG HG2 H 1.741 0.014 1 565 . 57 ARG HG3 H 1.542 0.020 1 566 . 57 ARG HD2 H 3.220 0.011 1 567 . 57 ARG HD3 H 3.178 0.015 1 568 . 57 ARG HE H 7.236 0.076 1 569 . 57 ARG C C 177.677 0.001 1 570 . 57 ARG CA C 59.728 0.262 1 571 . 57 ARG CB C 30.135 0.202 1 572 . 57 ARG CG C 27.839 0.300 1 573 . 57 ARG CD C 43.566 0.250 1 574 . 57 ARG N N 120.151 0.045 1 575 . 57 ARG NE N 87.333 0.397 1 576 . 58 TYR H H 8.443 0.005 1 577 . 58 TYR HA H 3.847 0.012 1 578 . 58 TYR HB2 H 2.767 0.027 1 579 . 58 TYR HB3 H 2.583 0.017 1 580 . 58 TYR HD1 H 6.875 0.003 1 581 . 58 TYR HD2 H 6.858 0.010 1 582 . 58 TYR HE1 H 6.897 0.020 3 583 . 58 TYR C C 179.693 0.050 1 584 . 58 TYR CA C 62.353 0.170 1 585 . 58 TYR CB C 38.842 0.256 1 586 . 58 TYR N N 121.269 0.055 1 587 . 59 TYR H H 8.830 0.009 1 588 . 59 TYR HA H 4.250 0.024 1 589 . 59 TYR HB2 H 3.232 0.009 1 590 . 59 TYR HB3 H 3.048 0.002 1 591 . 59 TYR HD1 H 6.958 0.007 1 592 . 59 TYR HD2 H 6.712 0.016 1 593 . 59 TYR HE1 H 7.009 0.040 1 594 . 59 TYR HE2 H 7.340 0.002 1 595 . 59 TYR HH H 6.936 0.017 1 596 . 59 TYR C C 176.497 0.005 1 597 . 59 TYR CA C 61.788 0.292 1 598 . 59 TYR CB C 38.459 0.217 1 599 . 59 TYR N N 119.402 0.034 1 600 . 60 ARG H H 7.646 0.006 1 601 . 60 ARG HA H 3.681 0.007 1 602 . 60 ARG HB2 H 1.941 0.014 1 603 . 60 ARG HB3 H 2.181 0.007 1 604 . 60 ARG HG2 H 1.918 0.008 1 605 . 60 ARG HG3 H 1.672 0.013 1 606 . 60 ARG HD2 H 3.271 0.019 1 607 . 60 ARG HD3 H 3.213 0.006 1 608 . 60 ARG HE H 7.443 0.001 1 609 . 60 ARG C C 179.086 0.020 1 610 . 60 ARG CA C 60.075 0.205 1 611 . 60 ARG CB C 29.957 0.204 1 612 . 60 ARG CG C 28.367 0.328 1 613 . 60 ARG CD C 43.497 0.241 1 614 . 60 ARG N N 116.787 0.050 1 615 . 60 ARG NE N 85.243 0.093 1 616 . 61 GLU H H 7.960 0.008 1 617 . 61 GLU HA H 4.081 0.018 1 618 . 61 GLU HB2 H 1.983 0.008 1 619 . 61 GLU HB3 H 2.244 0.006 1 620 . 61 GLU HG2 H 2.194 0.009 1 621 . 61 GLU HG3 H 2.406 0.030 1 622 . 61 GLU C C 177.517 0.014 1 623 . 61 GLU CA C 57.881 0.146 1 624 . 61 GLU CB C 30.152 0.174 1 625 . 61 GLU CG C 36.742 0.361 1 626 . 61 GLU N N 115.681 0.035 1 627 . 62 ASN H H 7.561 0.012 1 628 . 62 ASN HA H 4.597 0.018 1 629 . 62 ASN HB2 H 2.337 0.019 1 630 . 62 ASN HB3 H 2.273 0.015 1 631 . 62 ASN HD21 H 6.760 0.013 1 632 . 62 ASN HD22 H 6.560 0.022 1 633 . 62 ASN C C 175.389 0.041 1 634 . 62 ASN CA C 54.763 0.247 1 635 . 62 ASN CB C 41.285 0.267 1 636 . 62 ASN N N 115.337 0.082 1 637 . 62 ASN ND2 N 116.930 0.073 1 638 . 63 MET H H 7.512 0.008 1 639 . 63 MET HA H 3.686 0.009 1 640 . 63 MET HB2 H 1.710 0.010 1 641 . 63 MET HB3 H 1.892 0.012 1 642 . 63 MET HG2 H 2.576 0.003 1 643 . 63 MET HG3 H 2.139 0.012 1 644 . 63 MET HE H 1.831 0.007 1 645 . 63 MET C C 176.387 0.022 1 646 . 63 MET CA C 60.047 0.186 1 647 . 63 MET CB C 32.692 0.093 1 648 . 63 MET CG C 31.404 0.498 1 649 . 63 MET CE C 17.177 0.021 1 650 . 63 MET N N 118.894 0.053 1 651 . 64 TYR H H 7.631 0.004 1 652 . 64 TYR HA H 4.238 0.015 1 653 . 64 TYR HB2 H 3.037 0.022 1 654 . 64 TYR HB3 H 2.961 0.013 1 655 . 64 TYR HD1 H 7.085 0.007 1 656 . 64 TYR HD2 H 7.085 0.007 1 657 . 64 TYR HE1 H 6.920 0.024 1 658 . 64 TYR HE2 H 7.328 0.008 1 659 . 64 TYR C C 176.222 0.269 1 660 . 64 TYR CA C 59.450 0.196 1 661 . 64 TYR CB C 36.740 0.093 1 662 . 64 TYR CD1 C 131.373 0.050 1 663 . 64 TYR CD2 C 131.373 0.060 1 664 . 64 TYR N N 114.704 0.060 1 665 . 65 ARG H H 7.605 0.003 1 666 . 65 ARG HA H 4.043 0.023 1 667 . 65 ARG HB2 H 1.817 0.011 1 668 . 65 ARG HB3 H 1.940 0.015 1 669 . 65 ARG HG2 H 1.285 0.026 1 670 . 65 ARG HG3 H 1.551 0.027 1 671 . 65 ARG HD2 H 3.093 0.028 1 672 . 65 ARG HD3 H 3.212 0.009 1 673 . 65 ARG HE H 6.887 0.011 1 674 . 65 ARG C C 176.600 0.040 1 675 . 65 ARG CA C 56.772 0.206 1 676 . 65 ARG CB C 30.933 0.116 1 677 . 65 ARG CG C 27.561 0.073 1 678 . 65 ARG CD C 44.447 0.318 1 679 . 65 ARG N N 118.829 0.056 1 680 . 65 ARG NE N 85.686 0.017 1 681 . 66 TYR H H 7.341 0.009 1 682 . 66 TYR HA H 4.991 0.063 1 683 . 66 TYR HB2 H 3.209 0.028 1 684 . 66 TYR HB3 H 3.049 0.032 1 685 . 66 TYR HD1 H 7.041 0.019 1 686 . 66 TYR HD2 H 7.334 0.002 1 687 . 66 TYR HE1 H 7.829 0.018 1 688 . 66 TYR HE2 H 7.023 0.004 1 689 . 66 TYR C C 172.971 0.040 1 690 . 66 TYR CA C 54.053 0.172 1 691 . 66 TYR CB C 36.100 0.230 1 692 . 66 TYR N N 119.883 0.077 1 693 . 67 PRO HA H 4.414 0.021 1 694 . 67 PRO HB2 H 2.304 0.012 1 695 . 67 PRO HB3 H 1.906 0.013 1 696 . 67 PRO HG2 H 1.759 0.018 1 697 . 67 PRO HG3 H 2.040 0.012 1 698 . 67 PRO HD2 H 3.641 0.009 1 699 . 67 PRO HD3 H 3.829 0.011 1 700 . 67 PRO C C 175.091 0.020 1 701 . 67 PRO CA C 63.638 0.200 1 702 . 67 PRO CB C 32.622 0.101 1 703 . 67 PRO CG C 28.023 0.191 1 704 . 67 PRO CD C 50.957 0.217 1 705 . 68 ASN H H 8.507 0.012 1 706 . 68 ASN HA H 4.719 0.012 1 707 . 68 ASN HB2 H 2.438 0.017 1 708 . 68 ASN HB3 H 3.650 0.017 1 709 . 68 ASN HD21 H 6.870 0.003 1 710 . 68 ASN HD22 H 7.495 0.010 1 711 . 68 ASN C C 172.919 0.030 1 712 . 68 ASN CA C 52.149 0.210 1 713 . 68 ASN CB C 38.652 0.295 1 714 . 68 ASN N N 115.910 0.045 1 715 . 68 ASN ND2 N 112.182 0.027 1 716 . 69 GLN H H 7.204 0.006 1 717 . 69 GLN HA H 4.584 0.015 1 718 . 69 GLN HB2 H 2.000 0.015 1 719 . 69 GLN HB3 H 2.151 0.010 1 720 . 69 GLN HG2 H 2.381 0.013 1 721 . 69 GLN HG3 H 2.381 0.013 1 722 . 69 GLN HE21 H 6.779 0.008 1 723 . 69 GLN HE22 H 7.327 0.020 1 724 . 69 GLN C C 175.112 0.020 1 725 . 69 GLN CA C 54.425 0.182 1 726 . 69 GLN CB C 34.433 0.232 1 727 . 69 GLN CG C 33.511 0.044 1 728 . 69 GLN N N 114.228 0.070 1 729 . 69 GLN NE2 N 110.488 0.210 1 730 . 70 VAL H H 8.510 0.008 1 731 . 70 VAL HA H 4.931 0.011 1 732 . 70 VAL HB H 2.612 0.008 1 733 . 70 VAL HG1 H 0.940 0.010 1 734 . 70 VAL HG2 H 0.761 0.012 1 735 . 70 VAL C C 174.060 0.070 1 736 . 70 VAL CA C 58.943 0.180 1 737 . 70 VAL CB C 34.071 0.259 1 738 . 70 VAL CG1 C 24.098 0.157 1 739 . 70 VAL CG2 C 18.827 0.213 1 740 . 70 VAL N N 112.869 0.058 1 741 . 71 TYR H H 8.425 0.006 1 742 . 71 TYR HA H 5.588 0.017 1 743 . 71 TYR HB2 H 2.605 0.008 1 744 . 71 TYR HB3 H 2.584 0.015 1 745 . 71 TYR HD1 H 6.908 0.019 1 746 . 71 TYR HD2 H 6.679 0.100 1 747 . 71 TYR HE1 H 6.347 0.007 1 748 . 71 TYR HE2 H 6.862 0.015 1 749 . 71 TYR HH H 8.590 0.003 1 750 . 71 TYR C C 174.715 0.236 1 751 . 71 TYR CA C 57.423 0.179 1 752 . 71 TYR CB C 42.373 0.170 1 753 . 71 TYR N N 121.138 0.085 1 754 . 72 TYR H H 8.584 0.007 1 755 . 72 TYR HA H 4.871 0.011 1 756 . 72 TYR HB2 H 2.889 0.015 1 757 . 72 TYR HB3 H 2.709 0.017 1 758 . 72 TYR HD1 H 7.198 0.010 3 759 . 72 TYR HE1 H 6.501 0.013 1 760 . 72 TYR HE2 H 6.677 0.003 1 761 . 72 TYR C C 173.747 0.005 1 762 . 72 TYR CA C 56.385 0.140 1 763 . 72 TYR CB C 40.348 0.147 1 764 . 72 TYR N N 111.198 0.060 1 765 . 73 ARG H H 7.930 0.014 1 766 . 73 ARG HA H 4.633 0.016 1 767 . 73 ARG HB2 H 1.820 0.004 1 768 . 73 ARG HB3 H 1.995 0.004 1 769 . 73 ARG HG2 H 1.688 0.009 1 770 . 73 ARG HG3 H 1.653 0.007 1 771 . 73 ARG HD2 H 3.386 0.004 1 772 . 73 ARG HD3 H 3.003 0.002 1 773 . 73 ARG C C 172.514 0.010 1 774 . 73 ARG CA C 54.124 0.117 1 775 . 73 ARG CB C 31.376 0.114 1 776 . 73 ARG CG C 27.400 0.005 1 777 . 73 ARG CD C 42.436 0.035 1 778 . 73 ARG N N 120.587 0.058 1 779 . 74 PRO HA H 4.598 0.009 1 780 . 74 PRO HB2 H 2.010 0.011 1 781 . 74 PRO HB3 H 2.482 0.013 1 782 . 74 PRO HG2 H 2.084 0.012 1 783 . 74 PRO HG3 H 2.084 0.012 1 784 . 74 PRO HD2 H 3.429 0.010 1 785 . 74 PRO HD3 H 3.674 0.009 1 786 . 74 PRO C C 178.517 0.040 1 787 . 74 PRO CA C 63.885 0.189 1 788 . 74 PRO CB C 33.095 0.083 1 789 . 74 PRO CD C 50.622 0.062 1 790 . 75 VAL H H 8.591 0.006 1 791 . 75 VAL HA H 4.316 0.010 1 792 . 75 VAL HB H 2.122 0.012 1 793 . 75 VAL HG1 H 0.857 0.015 1 794 . 75 VAL HG2 H 0.947 0.011 1 795 . 75 VAL C C 176.810 0.017 1 796 . 75 VAL CA C 62.743 0.006 1 797 . 75 VAL CB C 32.747 0.120 1 798 . 75 VAL CG1 C 21.763 0.001 1 799 . 75 VAL CG2 C 21.766 0.198 1 800 . 75 VAL N N 118.638 0.063 1 801 . 76 ASP H H 8.273 0.004 1 802 . 76 ASP HA H 4.603 0.014 1 803 . 76 ASP HB2 H 2.906 0.014 1 804 . 76 ASP HB3 H 2.694 0.013 1 805 . 76 ASP C C 177.122 0.006 1 806 . 76 ASP CA C 54.880 0.175 1 807 . 76 ASP CB C 40.030 0.216 1 808 . 76 ASP N N 117.419 0.061 1 809 . 77 GLN H H 8.246 0.006 1 810 . 77 GLN HA H 4.113 0.007 1 811 . 77 GLN HB2 H 1.926 0.009 1 812 . 77 GLN HB3 H 1.712 0.012 1 813 . 77 GLN HG2 H 2.245 0.008 1 814 . 77 GLN HG3 H 2.221 0.005 1 815 . 77 GLN HE21 H 6.777 0.004 1 816 . 77 GLN HE22 H 7.321 0.006 1 817 . 77 GLN C C 174.787 0.007 1 818 . 77 GLN CA C 56.017 0.172 1 819 . 77 GLN CB C 27.618 0.050 1 820 . 77 GLN CG C 34.594 0.251 1 821 . 77 GLN N N 117.512 0.029 1 822 . 77 GLN NE2 N 110.530 0.210 1 823 . 78 TYR H H 7.875 0.004 1 824 . 78 TYR HA H 4.921 0.008 1 825 . 78 TYR HB2 H 3.420 0.009 1 826 . 78 TYR HB3 H 3.023 0.009 1 827 . 78 TYR HD1 H 7.377 0.006 1 828 . 78 TYR HD2 H 7.190 0.001 1 829 . 78 TYR HE2 H 6.982 0.040 3 830 . 78 TYR C C 176.190 0.014 1 831 . 78 TYR CA C 57.296 0.159 1 832 . 78 TYR CB C 42.405 0.221 1 833 . 78 TYR N N 117.263 0.043 1 834 . 79 SER H H 9.211 0.006 1 835 . 79 SER HA H 4.547 0.010 1 836 . 79 SER HB2 H 4.012 0.013 2 837 . 79 SER HB3 H 4.012 0.013 2 838 . 79 SER C C 174.239 0.045 1 839 . 79 SER CA C 59.181 0.185 1 840 . 79 SER CB C 64.254 0.146 1 841 . 79 SER N N 115.239 0.032 1 842 . 80 ASN H H 7.548 0.010 1 843 . 80 ASN HA H 4.762 0.020 1 844 . 80 ASN HB2 H 3.232 0.008 1 845 . 80 ASN HB3 H 3.029 0.012 1 846 . 80 ASN HD21 H 6.809 0.006 1 847 . 80 ASN HD22 H 7.541 0.100 1 848 . 80 ASN C C 173.668 0.078 1 849 . 80 ASN CA C 52.392 0.120 1 850 . 80 ASN CB C 40.542 0.106 1 851 . 80 ASN N N 113.665 0.045 1 852 . 80 ASN ND2 N 112.700 0.051 1 853 . 81 GLN H H 8.621 0.005 1 854 . 81 GLN HA H 3.749 0.007 1 855 . 81 GLN HB2 H 2.342 0.040 1 856 . 81 GLN HB3 H 2.088 0.030 1 857 . 81 GLN HG2 H 2.487 0.018 1 858 . 81 GLN HG3 H 2.720 0.009 1 859 . 81 GLN HE21 H 6.786 0.009 1 860 . 81 GLN HE22 H 7.407 0.019 1 861 . 81 GLN C C 177.046 0.030 1 862 . 81 GLN CA C 59.262 0.212 1 863 . 81 GLN CB C 29.830 0.023 1 864 . 81 GLN CG C 33.993 0.272 1 865 . 81 GLN N N 119.605 0.024 1 866 . 81 GLN NE2 N 110.888 0.097 1 867 . 82 ASN H H 8.509 0.004 1 868 . 82 ASN HA H 4.232 0.010 1 869 . 82 ASN HB2 H 2.756 0.022 1 870 . 82 ASN HB3 H 2.687 0.020 1 871 . 82 ASN HD21 H 7.605 0.012 1 872 . 82 ASN HD22 H 6.933 0.013 1 873 . 82 ASN C C 178.088 0.024 1 874 . 82 ASN CA C 56.795 0.171 1 875 . 82 ASN CB C 37.757 0.191 1 876 . 82 ASN N N 117.245 0.034 1 877 . 82 ASN ND2 N 111.958 0.061 1 878 . 83 SER H H 8.410 0.005 1 879 . 83 SER HA H 4.303 0.006 1 880 . 83 SER HB2 H 4.169 0.016 1 881 . 83 SER HB3 H 4.185 0.030 1 882 . 83 SER C C 176.319 0.004 1 883 . 83 SER CA C 61.829 0.168 1 884 . 83 SER CB C 63.230 0.118 1 885 . 83 SER N N 115.627 0.063 1 886 . 84 PHE H H 7.094 0.006 1 887 . 84 PHE HA H 4.185 0.021 1 888 . 84 PHE HB2 H 2.709 0.012 1 889 . 84 PHE HB3 H 2.904 0.009 1 890 . 84 PHE HE1 H 7.188 0.005 3 891 . 84 PHE HZ H 6.688 0.014 1 892 . 84 PHE C C 177.294 0.004 1 893 . 84 PHE CA C 60.923 0.033 1 894 . 84 PHE CB C 39.406 0.533 1 895 . 84 PHE N N 123.459 0.034 1 896 . 85 VAL H H 8.897 0.006 1 897 . 85 VAL HA H 3.405 0.012 1 898 . 85 VAL HB H 2.204 0.013 1 899 . 85 VAL HG1 H 1.047 0.012 1 900 . 85 VAL HG2 H 1.066 0.019 1 901 . 85 VAL C C 176.756 0.002 1 902 . 85 VAL CA C 67.785 0.226 1 903 . 85 VAL CB C 32.334 0.099 1 904 . 85 VAL CG1 C 22.455 0.230 1 905 . 85 VAL CG2 C 25.247 0.230 1 906 . 85 VAL N N 120.269 0.050 1 907 . 86 HIS H H 8.373 0.009 1 908 . 86 HIS HA H 4.301 0.008 1 909 . 86 HIS HB2 H 3.335 0.015 2 910 . 86 HIS HB3 H 3.335 0.015 2 911 . 86 HIS HD1 H 7.352 0.023 1 912 . 86 HIS HD2 H 8.171 0.013 1 913 . 86 HIS HE1 H 7.202 0.022 1 914 . 86 HIS HE2 H 8.118 0.013 1 915 . 86 HIS C C 177.016 0.007 1 916 . 86 HIS CA C 59.621 0.225 1 917 . 86 HIS CB C 28.729 0.233 1 918 . 86 HIS N N 116.628 0.055 1 919 . 87 ASP H H 7.359 0.009 1 920 . 87 ASP HA H 4.584 0.013 1 921 . 87 ASP HB2 H 2.990 0.012 1 922 . 87 ASP HB3 H 2.957 0.005 1 923 . 87 ASP C C 175.865 0.030 1 924 . 87 ASP CA C 57.397 0.190 1 925 . 87 ASP CB C 41.618 0.229 1 926 . 87 ASP N N 118.542 0.058 1 927 . 88 CYS H H 8.135 0.010 1 928 . 88 CYS HA H 4.689 0.012 1 929 . 88 CYS HB2 H 2.845 0.011 1 930 . 88 CYS HB3 H 3.192 0.019 1 931 . 88 CYS C C 177.494 0.050 1 932 . 88 CYS CA C 58.992 0.196 1 933 . 88 CYS CB C 41.445 0.198 1 934 . 88 CYS N N 119.359 0.080 1 935 . 89 VAL H H 9.220 0.011 1 936 . 89 VAL HA H 3.681 0.013 1 937 . 89 VAL HB H 2.137 0.013 1 938 . 89 VAL HG1 H 1.057 0.012 1 939 . 89 VAL HG2 H 0.953 0.010 1 940 . 89 VAL C C 177.120 0.003 1 941 . 89 VAL CA C 66.418 0.271 1 942 . 89 VAL CB C 32.268 0.178 1 943 . 89 VAL CG2 C 21.795 0.003 1 944 . 89 VAL CG1 C 22.473 0.175 1 945 . 89 VAL N N 124.182 0.076 1 946 . 90 ASN H H 7.628 0.005 1 947 . 90 ASN HA H 4.309 0.011 1 948 . 90 ASN HB2 H 2.854 0.013 1 949 . 90 ASN HB3 H 2.809 0.016 1 950 . 90 ASN HD21 H 6.763 0.007 1 951 . 90 ASN HD22 H 7.643 0.006 1 952 . 90 ASN C C 178.377 0.022 1 953 . 90 ASN CA C 56.915 0.163 1 954 . 90 ASN CB C 39.178 0.195 1 955 . 90 ASN N N 116.704 0.034 1 956 . 90 ASN ND2 N 111.748 0.277 1 957 . 91 ILE H H 8.660 0.006 1 958 . 91 ILE HA H 3.766 0.015 1 959 . 91 ILE HB H 1.622 0.014 1 960 . 91 ILE HG12 H 0.858 0.023 1 961 . 91 ILE HG13 H 0.997 0.016 1 962 . 91 ILE HG2 H 0.252 0.011 1 963 . 91 ILE HD1 H 0.413 0.024 1 964 . 91 ILE CA C 62.315 0.208 1 965 . 91 ILE CB C 36.759 0.214 1 966 . 91 ILE CG1 C 27.773 0.281 1 967 . 91 ILE CG2 C 18.656 0.250 1 968 . 91 ILE CD1 C 11.208 0.278 1 969 . 91 ILE N N 118.113 0.044 1 970 . 92 THR H H 8.099 0.009 1 971 . 92 THR HA H 4.086 0.018 1 972 . 92 THR HB H 4.504 0.017 1 973 . 92 THR HG2 H 1.487 0.011 1 974 . 92 THR C C 177.590 0.050 1 975 . 92 THR CA C 68.944 0.218 1 976 . 92 THR CB C 68.894 0.122 1 977 . 92 THR CG2 C 22.655 0.165 1 978 . 92 THR N N 118.078 0.073 1 979 . 93 VAL H H 8.801 0.005 1 980 . 93 VAL HA H 3.614 0.014 1 981 . 93 VAL HB H 2.296 0.016 1 982 . 93 VAL HG1 H 1.038 0.014 1 983 . 93 VAL HG2 H 0.969 0.013 1 984 . 93 VAL C C 178.811 0.021 1 985 . 93 VAL CA C 67.965 0.224 1 986 . 93 VAL CB C 31.814 0.281 1 987 . 93 VAL CG1 C 24.110 0.210 1 988 . 93 VAL CG2 C 21.099 0.019 1 989 . 93 VAL N N 120.913 0.028 1 990 . 94 LYS H H 7.894 0.006 1 991 . 94 LYS HA H 4.068 0.011 1 992 . 94 LYS HB2 H 1.936 0.011 1 993 . 94 LYS HB3 H 1.964 0.011 1 994 . 94 LYS HG2 H 1.508 0.018 1 995 . 94 LYS HG3 H 1.423 0.012 1 996 . 94 LYS HD2 H 1.654 0.014 2 997 . 94 LYS HD3 H 1.654 0.014 2 998 . 94 LYS HE2 H 2.928 0.015 2 999 . 94 LYS HE3 H 2.928 0.015 2 1000 . 94 LYS C C 178.963 0.044 1 1001 . 94 LYS CA C 55.316 0.128 1 1002 . 94 LYS CB C 32.559 0.070 1 1003 . 94 LYS CG C 25.478 0.204 1 1004 . 94 LYS CD C 29.439 0.084 1 1005 . 94 LYS CE C 42.123 0.279 1 1006 . 94 LYS N N 121.556 0.034 1 1007 . 95 GLN H H 8.400 0.018 1 1008 . 95 GLN HA H 4.024 0.019 1 1009 . 95 GLN HB2 H 2.155 0.014 2 1010 . 95 GLN HB3 H 2.155 0.014 2 1011 . 95 GLN HG2 H 2.354 0.015 1 1012 . 95 GLN HG3 H 2.503 0.010 1 1013 . 95 GLN HE21 H 7.345 0.018 1 1014 . 95 GLN HE22 H 6.790 0.012 1 1015 . 95 GLN C C 178.288 0.017 1 1016 . 95 GLN CA C 57.881 0.178 1 1017 . 95 GLN CB C 28.597 0.160 1 1018 . 95 GLN CG C 34.285 0.020 1 1019 . 95 GLN N N 116.814 0.051 1 1020 . 95 GLN NE2 N 110.239 0.043 1 1021 . 96 HIS H H 8.200 0.006 1 1022 . 96 HIS HA H 4.581 0.019 1 1023 . 96 HIS HB2 H 3.145 0.006 1 1024 . 96 HIS HB3 H 3.381 0.022 1 1025 . 96 HIS HD2 H 6.769 0.034 1 1026 . 96 HIS C C 177.421 0.300 1 1027 . 96 HIS CA C 59.814 0.565 1 1028 . 96 HIS CB C 32.025 0.491 1 1029 . 96 HIS N N 118.096 0.043 1 1030 . 97 THR H H 8.186 0.020 1 1031 . 97 THR HA H 4.181 0.010 1 1032 . 97 THR HB H 4.271 0.022 1 1033 . 97 THR HG2 H 1.302 0.013 1 1034 . 97 THR C C 176.079 0.230 1 1035 . 97 THR CA C 65.151 0.234 1 1036 . 97 THR CB C 69.271 0.205 1 1037 . 97 THR CG2 C 22.099 0.112 1 1038 . 97 THR N N 113.230 0.054 1 1039 . 98 VAL H H 8.017 0.009 1 1040 . 98 VAL HA H 4.037 0.024 1 1041 . 98 VAL HB H 2.214 0.011 1 1042 . 98 VAL HG1 H 1.221 0.002 1 1043 . 98 VAL HG2 H 0.749 0.007 1 1044 . 98 VAL C C 177.971 0.011 1 1045 . 98 VAL CA C 65.418 0.178 1 1046 . 98 VAL CB C 32.204 0.113 1 1047 . 98 VAL CG1 C 21.803 0.015 1 1048 . 98 VAL CG2 C 23.729 0.024 1 1049 . 98 VAL N N 122.358 0.059 1 1050 . 99 THR H H 8.133 0.010 1 1051 . 99 THR HA H 4.198 0.015 1 1052 . 99 THR HB H 4.288 0.073 1 1053 . 99 THR HG2 H 1.293 0.015 1 1054 . 99 THR C C 176.118 0.002 1 1055 . 99 THR CA C 64.549 0.069 1 1056 . 99 THR CB C 69.133 0.114 1 1057 . 99 THR CG2 C 22.165 0.084 1 1058 . 99 THR N N 115.646 0.056 1 1059 . 100 THR H H 7.993 0.002 1 1060 . 100 THR HA H 4.149 0.022 1 1061 . 100 THR HB H 4.443 0.008 1 1062 . 100 THR HG2 H 0.934 0.027 1 1063 . 100 THR C C 176.291 0.013 1 1064 . 100 THR CA C 64.440 0.005 1 1065 . 100 THR CB C 69.041 0.105 1 1066 . 100 THR CG2 C 21.984 0.010 1 1067 . 100 THR N N 115.122 0.025 1 1068 . 101 THR H H 8.161 0.005 1 1069 . 101 THR HA H 4.395 0.015 1 1070 . 101 THR HB H 4.366 0.012 1 1071 . 101 THR HG2 H 1.332 0.017 1 1072 . 101 THR C C 177.202 0.021 1 1073 . 101 THR CA C 64.853 0.301 1 1074 . 101 THR CB C 69.183 0.207 1 1075 . 101 THR CG2 C 21.947 0.136 1 1076 . 101 THR N N 116.681 0.092 1 1077 . 102 THR H H 7.976 0.008 1 1078 . 102 THR HA H 4.216 0.015 1 1079 . 102 THR HB H 4.307 0.040 1 1080 . 102 THR HG2 H 1.304 0.019 1 1081 . 102 THR C C 175.139 0.039 1 1082 . 102 THR CA C 64.292 0.117 1 1083 . 102 THR CB C 69.143 0.217 1 1084 . 102 THR CG2 C 22.159 0.025 1 1085 . 102 THR N N 116.471 0.028 1 1086 . 103 LYS H H 7.753 0.030 1 1087 . 103 LYS HA H 4.373 0.023 1 1088 . 103 LYS HB2 H 2.002 0.012 1 1089 . 103 LYS HB3 H 1.860 0.019 1 1090 . 103 LYS HG2 H 1.501 0.013 1 1091 . 103 LYS HG3 H 1.646 0.001 1 1092 . 103 LYS HD2 H 1.698 0.020 2 1093 . 103 LYS HD3 H 1.698 0.020 2 1094 . 103 LYS HE2 H 2.945 0.030 2 1095 . 103 LYS HE3 H 2.945 0.030 2 1096 . 103 LYS C C 176.810 0.008 1 1097 . 103 LYS CA C 56.630 0.124 1 1098 . 103 LYS CB C 32.867 0.153 1 1099 . 103 LYS CG C 25.353 0.303 1 1100 . 103 LYS CD C 29.032 0.249 1 1101 . 103 LYS CE C 42.217 0.200 1 1102 . 103 LYS N N 120.731 0.109 1 1103 . 104 GLY H H 8.045 0.015 1 1104 . 104 GLY HA2 H 4.106 0.008 1 1105 . 104 GLY HA3 H 3.834 0.006 1 1106 . 104 GLY C C 174.230 0.026 1 1107 . 104 GLY CA C 45.593 0.027 1 1108 . 104 GLY N N 108.603 0.099 1 1109 . 105 GLU H H 7.675 0.021 1 1110 . 105 GLU HA H 4.289 0.010 1 1111 . 105 GLU HB2 H 1.644 0.018 1 1112 . 105 GLU HB3 H 1.619 0.010 1 1113 . 105 GLU HG2 H 2.071 0.019 1 1114 . 105 GLU HG3 H 1.952 0.006 1 1115 . 105 GLU C C 175.136 0.036 1 1116 . 105 GLU CA C 55.841 0.174 1 1117 . 105 GLU CB C 31.328 0.293 1 1118 . 105 GLU CG C 36.207 0.278 1 1119 . 105 GLU N N 120.091 0.025 1 1120 . 106 ASN H H 8.451 0.004 1 1121 . 106 ASN HA H 4.713 0.013 1 1122 . 106 ASN HB2 H 2.659 0.011 1 1123 . 106 ASN HB3 H 2.616 0.011 1 1124 . 106 ASN HD21 H 7.540 0.020 1 1125 . 106 ASN HD22 H 6.817 0.010 1 1126 . 106 ASN C C 174.128 0.052 1 1127 . 106 ASN CA C 52.966 0.114 1 1128 . 106 ASN CB C 41.009 0.384 1 1129 . 106 ASN N N 119.609 0.095 1 1130 . 106 ASN ND2 N 112.658 0.033 1 1131 . 107 PHE H H 8.583 0.007 1 1132 . 107 PHE HA H 5.270 0.071 1 1133 . 107 PHE HB2 H 3.202 0.008 1 1134 . 107 PHE HB3 H 2.967 0.015 1 1135 . 107 PHE HD1 H 7.361 0.012 1 1136 . 107 PHE HD2 H 7.491 0.010 1 1137 . 107 PHE HE1 H 6.913 0.007 1 1138 . 107 PHE HE2 H 6.647 0.014 1 1139 . 107 PHE C C 176.615 0.022 1 1140 . 107 PHE CA C 56.875 0.165 1 1141 . 107 PHE CB C 40.804 0.261 1 1142 . 107 PHE N N 121.906 0.036 1 1143 . 108 THR H H 9.577 0.012 1 1144 . 108 THR HA H 4.642 0.014 1 1145 . 108 THR HB H 4.828 0.020 1 1146 . 108 THR HG2 H 1.430 0.009 1 1147 . 108 THR C C 175.395 0.004 1 1148 . 108 THR CA C 60.697 0.232 1 1149 . 108 THR CB C 72.275 0.191 1 1150 . 108 THR CG2 C 21.938 0.226 1 1151 . 108 THR N N 115.859 0.047 1 1152 . 109 GLU H H 9.070 0.007 1 1153 . 109 GLU HA H 4.053 0.009 1 1154 . 109 GLU HB2 H 1.967 0.003 1 1155 . 109 GLU HB3 H 2.100 0.011 1 1156 . 109 GLU HG2 H 2.392 0.008 1 1157 . 109 GLU HG3 H 2.330 0.020 1 1158 . 109 GLU C C 179.051 0.007 1 1159 . 109 GLU CA C 60.252 0.218 1 1160 . 109 GLU CB C 29.316 0.140 1 1161 . 109 GLU CG C 36.701 0.255 1 1162 . 109 GLU N N 119.724 0.026 1 1163 . 110 THR H H 7.914 0.005 1 1164 . 110 THR HA H 3.798 0.014 1 1165 . 110 THR HB H 3.717 0.014 1 1166 . 110 THR HG2 H 0.638 0.016 1 1167 . 110 THR C C 175.282 0.100 1 1168 . 110 THR CA C 66.956 0.182 1 1169 . 110 THR CB C 68.846 0.153 1 1170 . 110 THR CG2 C 20.999 0.027 1 1171 . 110 THR N N 116.331 0.022 1 1172 . 111 ASP H H 7.481 0.004 1 1173 . 111 ASP HA H 4.532 0.015 1 1174 . 111 ASP HB2 H 3.391 0.013 1 1175 . 111 ASP HB3 H 2.557 0.040 1 1176 . 111 ASP CA C 58.587 0.156 1 1177 . 111 ASP CB C 42.274 0.247 1 1178 . 111 ASP N N 119.524 0.049 1 1179 . 112 ILE H H 8.068 0.010 1 1180 . 112 ILE HA H 3.434 0.017 1 1181 . 112 ILE HB H 1.954 0.012 1 1182 . 112 ILE HG12 H 1.552 0.016 1 1183 . 112 ILE HG13 H 1.296 0.015 1 1184 . 112 ILE HG2 H 0.842 0.009 1 1185 . 112 ILE HD1 H 0.722 0.012 1 1186 . 112 ILE C C 177.356 0.006 1 1187 . 112 ILE CA C 64.771 0.226 1 1188 . 112 ILE CB C 37.122 0.234 1 1189 . 112 ILE CG1 C 28.767 0.294 1 1190 . 112 ILE CG2 C 17.558 0.161 1 1191 . 112 ILE CD1 C 11.564 0.318 1 1192 . 112 ILE N N 118.956 0.060 1 1193 . 113 LYS H H 7.742 0.013 1 1194 . 113 LYS HA H 4.059 0.015 1 1195 . 113 LYS HB2 H 1.881 0.017 1 1196 . 113 LYS HB3 H 1.630 0.010 1 1197 . 113 LYS HG2 H 1.571 0.012 1 1198 . 113 LYS HG3 H 1.413 0.009 1 1199 . 113 LYS HD2 H 1.663 0.006 2 1200 . 113 LYS HD3 H 1.663 0.006 2 1201 . 113 LYS HE2 H 2.916 0.012 2 1202 . 113 LYS HE3 H 2.916 0.012 2 1203 . 113 LYS C C 180.165 0.100 1 1204 . 113 LYS CA C 59.612 0.168 1 1205 . 113 LYS CB C 32.581 0.131 1 1206 . 113 LYS CG C 25.575 0.254 1 1207 . 113 LYS CD C 29.421 0.029 1 1208 . 113 LYS CE C 41.710 0.050 1 1209 . 113 LYS N N 119.559 0.051 1 1210 . 114 ILE H H 7.979 0.006 1 1211 . 114 ILE HA H 3.626 0.012 1 1212 . 114 ILE HB H 1.933 0.012 1 1213 . 114 ILE HG12 H 1.563 0.011 1 1214 . 114 ILE HG13 H 1.302 0.001 1 1215 . 114 ILE HG2 H 0.802 0.013 1 1216 . 114 ILE HD1 H 0.646 0.016 1 1217 . 114 ILE C C 177.724 0.100 1 1218 . 114 ILE CA C 65.022 0.223 1 1219 . 114 ILE CB C 37.736 0.215 1 1220 . 114 ILE CG1 C 29.018 0.173 1 1221 . 114 ILE CG2 C 18.934 0.275 1 1222 . 114 ILE CD1 C 13.901 0.276 1 1223 . 114 ILE N N 119.847 0.055 1 1224 . 115 MET H H 8.817 0.030 1 1225 . 115 MET HA H 3.446 0.015 1 1226 . 115 MET HB2 H 1.979 0.019 1 1227 . 115 MET HB3 H 1.666 0.014 1 1228 . 115 MET HG2 H 2.074 0.018 1 1229 . 115 MET HG3 H 2.099 0.065 1 1230 . 115 MET HE H 1.494 0.009 1 1231 . 115 MET C C 177.811 0.013 1 1232 . 115 MET CA C 60.402 0.257 1 1233 . 115 MET CB C 34.092 0.307 1 1234 . 115 MET CG C 32.434 0.156 1 1235 . 115 MET CE C 16.601 0.028 1 1236 . 115 MET N N 119.264 0.038 1 1237 . 116 GLU H H 8.526 0.008 1 1238 . 116 GLU HA H 3.635 0.009 1 1239 . 116 GLU HB2 H 2.208 0.013 1 1240 . 116 GLU HB3 H 1.964 0.005 1 1241 . 116 GLU HG2 H 2.568 0.018 1 1242 . 116 GLU HG3 H 2.124 0.008 1 1243 . 116 GLU C C 178.321 0.200 1 1244 . 116 GLU CA C 60.849 0.235 1 1245 . 116 GLU CB C 29.061 0.100 1 1246 . 116 GLU CG C 37.266 0.366 1 1247 . 116 GLU N N 117.203 0.057 1 1248 . 117 ARG H H 7.215 0.008 1 1249 . 117 ARG HA H 4.145 0.023 1 1250 . 117 ARG HB2 H 1.928 0.010 1 1251 . 117 ARG HB3 H 1.871 0.007 1 1252 . 117 ARG HG2 H 1.631 0.008 1 1253 . 117 ARG HG3 H 1.804 0.025 1 1254 . 117 ARG HD2 H 3.271 0.037 1 1255 . 117 ARG HD3 H 3.188 0.012 1 1256 . 117 ARG HE H 7.317 0.009 1 1257 . 117 ARG C C 179.216 0.004 1 1258 . 117 ARG CA C 58.865 0.228 1 1259 . 117 ARG CB C 30.618 0.289 1 1260 . 117 ARG CG C 27.617 0.104 1 1261 . 117 ARG CD C 43.890 0.142 1 1262 . 117 ARG N N 118.060 0.064 1 1263 . 117 ARG NE N 87.890 8.710 1 1264 . 118 VAL H H 8.270 0.008 1 1265 . 118 VAL HA H 3.518 0.021 1 1266 . 118 VAL HB H 2.110 0.009 1 1267 . 118 VAL HG1 H 1.110 0.016 1 1268 . 118 VAL HG2 H 1.041 0.023 1 1269 . 118 VAL C C 177.781 0.010 1 1270 . 118 VAL CA C 66.515 0.224 1 1271 . 118 VAL CB C 32.726 0.197 1 1272 . 118 VAL CG1 C 21.663 0.213 1 1273 . 118 VAL CG2 C 23.917 0.140 1 1274 . 118 VAL N N 120.393 0.071 1 1275 . 119 VAL H H 9.002 0.012 1 1276 . 119 VAL HA H 3.659 0.011 1 1277 . 119 VAL HB H 2.180 0.014 1 1278 . 119 VAL HG1 H 0.951 0.017 1 1279 . 119 VAL HG2 H 1.223 0.012 1 1280 . 119 VAL C C 177.464 0.060 1 1281 . 119 VAL CA C 66.361 0.210 1 1282 . 119 VAL CB C 31.551 0.239 1 1283 . 119 VAL CG1 C 24.702 0.244 1 1284 . 119 VAL CG2 C 25.387 0.077 1 1285 . 119 VAL N N 119.272 0.040 1 1286 . 120 GLU H H 8.144 0.009 1 1287 . 120 GLU HA H 3.557 0.009 1 1288 . 120 GLU HB2 H 2.162 0.006 1 1289 . 120 GLU HG2 H 2.138 0.006 1 1290 . 120 GLU HG3 H 2.333 0.006 1 1291 . 120 GLU C C 177.572 0.004 1 1292 . 120 GLU CA C 61.157 0.173 1 1293 . 120 GLU CB C 29.579 0.183 1 1294 . 120 GLU CG C 36.545 0.133 1 1295 . 120 GLU N N 121.272 0.054 1 1296 . 121 GLN H H 7.205 0.011 1 1297 . 121 GLN HA H 3.959 0.014 1 1298 . 121 GLN HB2 H 2.176 0.007 1 1299 . 121 GLN HB3 H 2.224 0.007 1 1300 . 121 GLN HG2 H 2.489 0.013 1 1301 . 121 GLN HG3 H 2.408 0.019 1 1302 . 121 GLN HE21 H 7.577 0.001 1 1303 . 121 GLN HE22 H 6.860 0.008 1 1304 . 121 GLN C C 178.878 0.003 1 1305 . 121 GLN CA C 58.872 0.277 1 1306 . 121 GLN CB C 28.111 0.202 1 1307 . 121 GLN CG C 34.137 0.145 1 1308 . 121 GLN N N 115.038 0.042 1 1309 . 121 GLN NE2 N 111.433 0.010 1 1310 . 122 MET H H 7.970 0.010 1 1311 . 122 MET HA H 4.107 0.019 1 1312 . 122 MET HB2 H 2.184 0.012 1 1313 . 122 MET HB3 H 2.324 0.014 1 1314 . 122 MET HG2 H 2.745 0.015 1 1315 . 122 MET HG3 H 2.494 0.012 1 1316 . 122 MET HE H 2.180 0.007 1 1317 . 122 MET C C 178.384 0.002 1 1318 . 122 MET CA C 60.147 0.214 1 1319 . 122 MET CB C 36.079 0.888 1 1320 . 122 MET CG C 32.745 0.101 1 1321 . 122 MET CE C 18.019 0.023 1 1322 . 122 MET N N 119.414 0.040 1 1323 . 123 CYS H H 9.244 0.007 1 1324 . 123 CYS HA H 4.370 0.017 1 1325 . 123 CYS HB2 H 3.550 0.011 1 1326 . 123 CYS HB3 H 2.863 0.019 1 1327 . 123 CYS C C 176.857 0.110 1 1328 . 123 CYS CA C 60.243 0.237 1 1329 . 123 CYS CB C 42.406 0.262 1 1330 . 123 CYS N N 119.042 0.070 1 1331 . 124 ILE H H 8.351 0.008 1 1332 . 124 ILE HA H 3.470 0.015 1 1333 . 124 ILE HB H 1.970 0.017 1 1334 . 124 ILE HG12 H 1.549 0.010 1 1335 . 124 ILE HG13 H 1.308 0.010 1 1336 . 124 ILE HG2 H 0.853 0.014 1 1337 . 124 ILE HD1 H 0.825 0.010 1 1338 . 124 ILE C C 177.739 0.100 1 1339 . 124 ILE CA C 67.047 0.216 1 1340 . 124 ILE CB C 38.763 0.070 1 1341 . 124 ILE CG1 C 28.770 0.173 1 1342 . 124 ILE CG2 C 17.440 0.223 1 1343 . 124 ILE CD1 C 14.473 0.050 1 1344 . 124 ILE N N 123.676 0.041 1 1345 . 125 THR H H 8.092 0.008 1 1346 . 125 THR HA H 3.886 0.009 1 1347 . 125 THR HB H 4.307 0.010 1 1348 . 125 THR HG2 H 1.240 0.011 1 1349 . 125 THR C C 176.495 0.120 1 1350 . 125 THR CA C 67.289 0.198 1 1351 . 125 THR CB C 68.571 0.202 1 1352 . 125 THR CG2 C 22.448 0.172 1 1353 . 125 THR N N 118.320 0.102 1 1354 . 126 GLN H H 8.745 0.011 1 1355 . 126 GLN HA H 3.682 0.018 1 1356 . 126 GLN HB2 H 2.324 0.009 2 1357 . 126 GLN HG2 H 1.653 0.020 1 1358 . 126 GLN C C 177.680 0.002 1 1359 . 126 GLN CA C 59.039 0.220 1 1360 . 126 GLN CB C 28.602 0.140 1 1361 . 126 GLN CG C 33.385 0.010 1 1362 . 126 GLN N N 122.543 0.057 1 1363 . 127 TYR H H 8.505 0.006 1 1364 . 127 TYR HA H 2.940 0.012 1 1365 . 127 TYR HB2 H 2.567 0.007 1 1366 . 127 TYR HB3 H 2.115 0.016 1 1367 . 127 TYR HD1 H 6.199 0.069 3 1368 . 127 TYR HE1 H 7.139 0.004 1 1369 . 127 TYR HE2 H 8.287 0.001 1 1370 . 127 TYR C C 178.468 0.020 1 1371 . 127 TYR CA C 62.388 0.189 1 1372 . 127 TYR CB C 37.413 0.095 1 1373 . 127 TYR N N 120.064 0.033 1 1374 . 128 GLN H H 8.346 0.030 1 1375 . 128 GLN HA H 3.747 0.013 1 1376 . 128 GLN HB2 H 2.337 0.006 1 1377 . 128 GLN HB3 H 2.088 0.006 1 1378 . 128 GLN HG2 H 2.723 0.010 1 1379 . 128 GLN HG3 H 2.480 0.016 1 1380 . 128 GLN CA C 59.280 0.214 1 1381 . 128 GLN CB C 27.933 0.088 1 1382 . 128 GLN CG C 34.058 0.228 1 1383 . 128 GLN N N 120.275 0.368 1 1384 . 129 GLN H H 8.268 0.071 1 1385 . 129 GLN HA H 4.004 0.011 1 1386 . 129 GLN HB2 H 2.098 0.013 1 1387 . 129 GLN HB3 H 2.040 0.090 1 1388 . 129 GLN HG2 H 2.346 0.016 1 1389 . 129 GLN HG3 H 2.448 0.028 1 1390 . 129 GLN C C 179.608 0.013 1 1391 . 129 GLN CA C 59.144 0.243 1 1392 . 129 GLN CB C 28.913 0.188 1 1393 . 129 GLN CG C 34.290 0.166 1 1394 . 129 GLN N N 119.006 0.053 1 1395 . 130 GLU H H 8.504 0.007 1 1396 . 130 GLU HA H 4.087 0.016 1 1397 . 130 GLU HB2 H 2.172 0.010 1 1398 . 130 GLU HB3 H 1.887 0.012 1 1399 . 130 GLU HG2 H 2.190 0.009 1 1400 . 130 GLU HG3 H 2.411 0.013 1 1401 . 130 GLU C C 179.687 0.046 1 1402 . 130 GLU CA C 58.356 0.182 1 1403 . 130 GLU CB C 30.593 0.307 1 1404 . 130 GLU CG C 37.105 0.087 1 1405 . 130 GLU N N 118.879 0.042 1 1406 . 131 SER H H 8.449 0.007 1 1407 . 131 SER HA H 3.968 0.011 1 1408 . 131 SER HB2 H 3.574 0.015 1 1409 . 131 SER HB3 H 3.367 0.007 1 1410 . 131 SER C C 176.632 0.001 1 1411 . 131 SER CA C 61.768 0.205 1 1412 . 131 SER CB C 62.394 0.213 1 1413 . 131 SER N N 116.762 0.048 1 1414 . 132 GLN H H 7.828 0.006 1 1415 . 132 GLN HA H 4.174 0.005 1 1416 . 132 GLN HB2 H 2.147 0.006 2 1417 . 132 GLN HG2 H 2.483 0.010 1 1418 . 132 GLN HG3 H 2.432 0.009 1 1419 . 132 GLN HE21 H 7.431 0.001 1 1420 . 132 GLN HE22 H 6.789 0.016 1 1421 . 132 GLN C C 178.058 0.006 1 1422 . 132 GLN CA C 58.719 0.181 1 1423 . 132 GLN CB C 28.381 0.174 1 1424 . 132 GLN CG C 34.107 0.165 1 1425 . 132 GLN N N 122.383 0.034 1 1426 . 132 GLN NE2 N 110.795 0.108 1 1427 . 133 ALA H H 7.842 0.009 1 1428 . 133 ALA HA H 4.193 0.011 1 1429 . 133 ALA HB H 1.504 0.015 1 1430 . 133 ALA C C 180.081 0.049 1 1431 . 133 ALA CA C 55.095 0.178 1 1432 . 133 ALA CB C 18.403 0.173 1 1433 . 133 ALA N N 122.285 0.043 1 1434 . 134 ALA H H 8.004 0.009 1 1435 . 134 ALA HA H 4.067 0.014 1 1436 . 134 ALA HB H 1.455 0.012 1 1437 . 134 ALA C C 180.264 0.040 1 1438 . 134 ALA CA C 55.200 0.161 1 1439 . 134 ALA CB C 18.401 0.166 1 1440 . 134 ALA N N 120.813 0.026 1 1441 . 135 TYR H H 7.969 0.002 1 1442 . 135 TYR HA H 4.325 0.013 1 1443 . 135 TYR HB2 H 3.197 0.012 1 1444 . 135 TYR HB3 H 3.174 0.010 1 1445 . 135 TYR HD1 H 7.128 0.011 3 1446 . 135 TYR C C 177.633 0.030 1 1447 . 135 TYR CA C 60.709 0.209 1 1448 . 135 TYR CB C 38.235 0.171 1 1449 . 135 TYR CD1 C 128.978 0.010 1 1450 . 135 TYR CD2 C 128.978 0.003 1 1451 . 135 TYR N N 120.680 0.018 1 1452 . 136 GLN H H 8.107 0.006 1 1453 . 136 GLN HA H 3.922 0.014 1 1454 . 136 GLN HB2 H 2.174 0.006 2 1455 . 136 GLN HB3 H 2.174 0.006 2 1456 . 136 GLN HG2 H 2.502 0.014 2 1457 . 136 GLN HE21 H 7.577 0.002 1 1458 . 136 GLN HE22 H 6.868 0.025 1 1459 . 136 GLN C C 178.660 0.002 1 1460 . 136 GLN CA C 58.486 0.141 1 1461 . 136 GLN CB C 28.412 0.269 1 1462 . 136 GLN CG C 33.930 0.256 1 1463 . 136 GLN N N 118.465 0.038 1 1464 . 136 GLN NE2 N 111.469 0.172 1 1465 . 137 ARG H H 8.070 0.007 1 1466 . 137 ARG HA H 4.116 0.011 1 1467 . 137 ARG HB2 H 1.950 0.007 1 1468 . 137 ARG HB3 H 1.858 0.026 1 1469 . 137 ARG HG2 H 1.616 0.011 1 1470 . 137 ARG HG3 H 1.825 0.013 1 1471 . 137 ARG HD2 H 3.288 0.021 1 1472 . 137 ARG HD3 H 3.154 0.024 1 1473 . 137 ARG HE H 7.302 0.039 1 1474 . 137 ARG C C 178.443 0.001 1 1475 . 137 ARG CA C 58.934 0.159 1 1476 . 137 ARG CB C 30.582 0.154 1 1477 . 137 ARG CG C 28.048 0.379 1 1478 . 137 ARG CD C 43.721 0.217 1 1479 . 137 ARG N N 119.037 0.063 1 1480 . 137 ARG NE N 87.857 7.873 1 1481 . 138 ALA H H 7.732 0.003 1 1482 . 138 ALA HA H 4.486 1.027 1 1483 . 138 ALA HB H 1.447 0.007 1 1484 . 138 ALA C C 179.569 0.024 1 1485 . 138 ALA CA C 54.266 0.144 1 1486 . 138 ALA CB C 18.400 0.177 1 1487 . 138 ALA N N 122.057 0.028 1 stop_ save_