data_10237 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the chimera of the C-terminal PID domain of Fe65L and the C-terminal tail peptide of APP ; _BMRB_accession_number 10237 _BMRB_flat_file_name bmr10237.str _Entry_type new _Submission_date 2008-08-22 _Accession_date 2008-08-22 _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 H. . . 2 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 974 "13C chemical shifts" 727 "15N chemical shifts" 178 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-19 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the C-terminal PID Domain of Fe65L1 Complexed with the Cytoplasmic Tail of APP Reveals a Novel Peptide Binding Mode ; _Citation_status Published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18650440 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Koshiba S. . . 3 Hayashi F. . . 4 Tochio N. . . 5 Tomozawa T. . . 6 Kasai T. . . 7 Yabuki T. . . 8 Motoda Y. . . 9 Harada T. . . 10 Watanabe S. . . 11 Inoue M. . . 12 Hayashizaki Y. . . 13 Tanaka A. . . 14 Kigawa T. . . 15 Yokoyama S. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 283 _Journal_issue 40 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 27165 _Page_last 27178 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Amyloid beta A4 precursor protein-binding family B member 2 and Amyloid beta A4 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PID domain and APP peptide' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PID domain and APP peptide' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; GSSGSSGPTPKTELVQKFRV QYLGMLPVDRPVGMDTLNSA IENLMTSSSKEDWPSVNMNV ADATVTVISEKNEEEVLVEC RVRFLSFMGVGKDVHTFAFI MDTGNQRFECHVFWCEPNAA NVSEAVQAACSGPSSGIEGR GSSGSSGSSGSSGDAAVTPE ERHLSKMQQNGYENPTYKFF EQMQN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 THR 10 PRO 11 LYS 12 THR 13 GLU 14 LEU 15 VAL 16 GLN 17 LYS 18 PHE 19 ARG 20 VAL 21 GLN 22 TYR 23 LEU 24 GLY 25 MET 26 LEU 27 PRO 28 VAL 29 ASP 30 ARG 31 PRO 32 VAL 33 GLY 34 MET 35 ASP 36 THR 37 LEU 38 ASN 39 SER 40 ALA 41 ILE 42 GLU 43 ASN 44 LEU 45 MET 46 THR 47 SER 48 SER 49 SER 50 LYS 51 GLU 52 ASP 53 TRP 54 PRO 55 SER 56 VAL 57 ASN 58 MET 59 ASN 60 VAL 61 ALA 62 ASP 63 ALA 64 THR 65 VAL 66 THR 67 VAL 68 ILE 69 SER 70 GLU 71 LYS 72 ASN 73 GLU 74 GLU 75 GLU 76 VAL 77 LEU 78 VAL 79 GLU 80 CYS 81 ARG 82 VAL 83 ARG 84 PHE 85 LEU 86 SER 87 PHE 88 MET 89 GLY 90 VAL 91 GLY 92 LYS 93 ASP 94 VAL 95 HIS 96 THR 97 PHE 98 ALA 99 PHE 100 ILE 101 MET 102 ASP 103 THR 104 GLY 105 ASN 106 GLN 107 ARG 108 PHE 109 GLU 110 CYS 111 HIS 112 VAL 113 PHE 114 TRP 115 CYS 116 GLU 117 PRO 118 ASN 119 ALA 120 ALA 121 ASN 122 VAL 123 SER 124 GLU 125 ALA 126 VAL 127 GLN 128 ALA 129 ALA 130 CYS 131 SER 132 GLY 133 PRO 134 SER 135 SER 136 GLY 137 ILE 138 GLU 139 GLY 140 ARG 141 GLY 142 SER 143 SER 144 GLY 145 SER 146 SER 147 GLY 148 SER 149 SER 150 GLY 151 SER 152 SER 153 GLY 154 ASP 155 ALA 156 ALA 157 VAL 158 THR 159 PRO 160 GLU 161 GLU 162 ARG 163 HIS 164 LEU 165 SER 166 LYS 167 MET 168 GLN 169 GLN 170 ASN 171 GLY 172 TYR 173 GLU 174 ASN 175 PRO 176 THR 177 TYR 178 LYS 179 PHE 180 PHE 181 GLU 182 GLN 183 MET 184 GLN 185 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 10235 "Phosphotyrosine-Interaction Domain" 73.51 136 100.00 100.00 6.88e-95 PDB 1WGU "Solution Structure Of The C-Terminal Phosphotyrosine Interaction Domain Of Apbb2 From Mouse" 73.51 136 100.00 100.00 6.88e-95 PDB 2ROZ "Structure Of The C-Terminal Pid Domain Of Fe65l1 Complexed With The Cytoplasmic Tail Of App Reveals A Novel Peptide Binding Mod" 73.51 136 100.00 100.00 6.88e-95 PDB 2YSZ "Solution Structure Of The Chimera Of The C-Terminal Pid Domain Of Fe65l And The C-Terminal Tail Peptide Of App" 100.00 185 100.00 100.00 1.68e-133 DBJ BAB23568 "unnamed protein product [Mus musculus]" 66.49 760 100.00 100.00 7.80e-80 DBJ BAE31851 "unnamed protein product [Mus musculus]" 66.49 738 100.00 100.00 4.42e-80 DBJ BAE39700 "unnamed protein product [Mus musculus]" 66.49 758 100.00 100.00 6.39e-80 DBJ BAE41482 "unnamed protein product [Mus musculus]" 66.49 736 100.00 100.00 3.80e-80 DBJ BAE42990 "unnamed protein product [Mus musculus]" 66.49 210 100.00 100.00 9.60e-86 GB AAH76587 "Apbb2 protein [Mus musculus]" 66.49 737 100.00 100.00 3.99e-80 GB EDL37768 "amyloid beta (A4) precursor protein-binding, family B, member 2, isoform CRA_a [Mus musculus]" 66.49 731 100.00 100.00 5.19e-80 GB EDL90042 "similar to amyloid beta (A4) precursor protein-binding, family B, member 2 (predicted) [Rattus norvegicus]" 66.49 731 97.56 99.19 1.20e-78 GB EGW02447 "Amyloid beta A4 precursor protein-binding family B member 2, partial [Cricetulus griseus]" 66.49 468 97.56 99.19 1.15e-79 GB ERE91473 "amyloid beta A4 precursor protein-binding family B member 2 [Cricetulus griseus]" 66.49 742 97.56 99.19 4.41e-78 REF NP_001188342 "amyloid beta A4 precursor protein-binding family B member 2 isoform 2 [Mus musculus]" 66.49 758 100.00 100.00 6.39e-80 REF NP_001188343 "amyloid beta A4 precursor protein-binding family B member 2 isoform 3 [Mus musculus]" 66.49 738 100.00 100.00 3.94e-80 REF NP_001188344 "amyloid beta A4 precursor protein-binding family B member 2 isoform 4 [Mus musculus]" 66.49 737 100.00 100.00 3.99e-80 REF NP_001188345 "amyloid beta A4 precursor protein-binding family B member 2 isoform 5 [Mus musculus]" 66.49 210 100.00 100.00 9.60e-86 REF NP_001297555 "amyloid beta A4 precursor protein-binding family B member 2 isoform 6 [Mus musculus]" 66.49 736 100.00 100.00 3.80e-80 SP Q9DBR4 "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 2" 66.49 760 100.00 100.00 7.80e-80 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_1 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P060710-04 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 1.00 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRVIEW _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PID domain and APP peptide' _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 8 8 PRO HA H 4.474 0.030 1 2 8 8 PRO HB2 H 1.883 0.030 2 3 8 8 PRO HB3 H 2.243 0.030 2 4 8 8 PRO HG2 H 1.994 0.030 2 5 8 8 PRO C C 177.094 0.300 1 6 8 8 PRO CA C 63.038 0.300 1 7 8 8 PRO CB C 31.937 0.300 1 8 8 8 PRO CD C 49.776 0.300 1 9 8 8 PRO CG C 27.169 0.300 1 10 9 9 THR H H 8.355 0.030 1 11 9 9 THR HA H 4.536 0.030 1 12 9 9 THR HB H 4.098 0.030 1 13 9 9 THR HG2 H 1.240 0.030 1 14 9 9 THR C C 172.894 0.300 1 15 9 9 THR CA C 59.999 0.300 1 16 9 9 THR CB C 69.767 0.300 1 17 9 9 THR CG2 C 21.566 0.300 1 18 9 9 THR N N 117.875 0.300 1 19 10 10 PRO HA H 4.389 0.030 1 20 10 10 PRO HB2 H 1.857 0.030 2 21 10 10 PRO HB3 H 2.283 0.030 2 22 10 10 PRO HD2 H 3.846 0.030 2 23 10 10 PRO HD3 H 3.667 0.030 2 24 10 10 PRO HG2 H 2.005 0.030 2 25 10 10 PRO HG3 H 1.953 0.030 2 26 10 10 PRO C C 176.833 0.300 1 27 10 10 PRO CA C 63.178 0.300 1 28 10 10 PRO CB C 32.102 0.300 1 29 10 10 PRO CD C 51.138 0.300 1 30 10 10 PRO CG C 27.558 0.300 1 31 11 11 LYS H H 8.474 0.030 1 32 11 11 LYS HA H 4.303 0.030 1 33 11 11 LYS HB2 H 1.817 0.030 2 34 11 11 LYS HB3 H 1.754 0.030 2 35 11 11 LYS HD2 H 1.658 0.030 1 36 11 11 LYS HD3 H 1.658 0.030 1 37 11 11 LYS HE2 H 2.943 0.030 2 38 11 11 LYS HG2 H 1.450 0.030 2 39 11 11 LYS HG3 H 1.394 0.030 2 40 11 11 LYS C C 176.856 0.300 1 41 11 11 LYS CA C 56.434 0.300 1 42 11 11 LYS CB C 32.988 0.300 1 43 11 11 LYS CD C 29.119 0.300 1 44 11 11 LYS CE C 42.131 0.300 1 45 11 11 LYS CG C 24.923 0.300 1 46 11 11 LYS N N 122.196 0.300 1 47 12 12 THR H H 8.159 0.030 1 48 12 12 THR HA H 4.262 0.030 1 49 12 12 THR HB H 4.147 0.030 1 50 12 12 THR HG2 H 1.158 0.030 1 51 12 12 THR C C 174.410 0.300 1 52 12 12 THR CA C 61.984 0.300 1 53 12 12 THR CB C 69.731 0.300 1 54 12 12 THR CG2 C 21.698 0.300 1 55 12 12 THR N N 115.686 0.300 1 56 13 13 GLU H H 8.418 0.030 1 57 13 13 GLU HA H 4.298 0.030 1 58 13 13 GLU HB2 H 2.016 0.030 2 59 13 13 GLU HB3 H 1.862 0.030 2 60 13 13 GLU HG2 H 2.204 0.030 2 61 13 13 GLU C C 175.916 0.300 1 62 13 13 GLU CA C 56.259 0.300 1 63 13 13 GLU CB C 30.211 0.300 1 64 13 13 GLU CG C 36.130 0.300 1 65 13 13 GLU N N 123.510 0.300 1 66 14 14 LEU H H 8.270 0.030 1 67 14 14 LEU HA H 4.315 0.030 1 68 14 14 LEU HB2 H 1.570 0.030 1 69 14 14 LEU HB3 H 1.570 0.030 1 70 14 14 LEU HD1 H 0.870 0.030 1 71 14 14 LEU HD2 H 0.811 0.030 1 72 14 14 LEU HG H 1.529 0.030 1 73 14 14 LEU C C 176.592 0.300 1 74 14 14 LEU CA C 55.240 0.300 1 75 14 14 LEU CB C 42.295 0.300 1 76 14 14 LEU CD1 C 24.748 0.300 2 77 14 14 LEU CD2 C 23.728 0.300 2 78 14 14 LEU CG C 27.054 0.300 1 79 14 14 LEU N N 123.831 0.300 1 80 15 15 VAL H H 8.046 0.030 1 81 15 15 VAL HA H 4.252 0.030 1 82 15 15 VAL HB H 1.885 0.030 1 83 15 15 VAL HG1 H 0.718 0.030 1 84 15 15 VAL HG2 H 0.831 0.030 1 85 15 15 VAL C C 175.528 0.300 1 86 15 15 VAL CA C 61.703 0.300 1 87 15 15 VAL CB C 33.487 0.300 1 88 15 15 VAL CG1 C 21.004 0.300 2 89 15 15 VAL CG2 C 21.004 0.300 2 90 15 15 VAL N N 122.605 0.300 1 91 16 16 GLN H H 8.308 0.030 1 92 16 16 GLN HA H 4.315 0.030 1 93 16 16 GLN HB2 H 1.867 0.030 1 94 16 16 GLN HB3 H 1.867 0.030 1 95 16 16 GLN HE21 H 7.490 0.030 2 96 16 16 GLN HE22 H 6.916 0.030 2 97 16 16 GLN HG2 H 2.109 0.030 2 98 16 16 GLN HG3 H 2.232 0.030 2 99 16 16 GLN C C 173.379 0.300 1 100 16 16 GLN CA C 55.170 0.300 1 101 16 16 GLN CB C 31.608 0.300 1 102 16 16 GLN CG C 34.403 0.300 1 103 16 16 GLN N N 125.386 0.300 1 104 16 16 GLN NE2 N 111.662 0.300 1 105 17 17 LYS H H 7.776 0.030 1 106 17 17 LYS HA H 5.089 0.030 1 107 17 17 LYS HB2 H 1.518 0.030 2 108 17 17 LYS HB3 H 1.427 0.030 2 109 17 17 LYS HD2 H 1.489 0.030 1 110 17 17 LYS HD3 H 1.489 0.030 1 111 17 17 LYS HE2 H 2.784 0.030 1 112 17 17 LYS HE3 H 2.784 0.030 1 113 17 17 LYS HG2 H 1.164 0.030 2 114 17 17 LYS HG3 H 1.085 0.030 2 115 17 17 LYS C C 175.220 0.300 1 116 17 17 LYS CA C 55.064 0.300 1 117 17 17 LYS CB C 35.098 0.300 1 118 17 17 LYS CD C 29.471 0.300 1 119 17 17 LYS CE C 41.884 0.300 1 120 17 17 LYS CG C 24.606 0.300 1 121 17 17 LYS N N 123.005 0.300 1 122 18 18 PHE H H 8.909 0.030 1 123 18 18 PHE HA H 4.727 0.030 1 124 18 18 PHE HB2 H 3.041 0.030 2 125 18 18 PHE HB3 H 2.608 0.030 2 126 18 18 PHE HD1 H 7.075 0.030 1 127 18 18 PHE HD2 H 7.075 0.030 1 128 18 18 PHE HE1 H 6.883 0.030 1 129 18 18 PHE HE2 H 6.883 0.030 1 130 18 18 PHE HZ H 6.895 0.030 1 131 18 18 PHE C C 174.317 0.300 1 132 18 18 PHE CA C 56.680 0.300 1 133 18 18 PHE CB C 42.542 0.300 1 134 18 18 PHE CD1 C 132.358 0.300 1 135 18 18 PHE CD2 C 132.358 0.300 1 136 18 18 PHE CE1 C 130.158 0.300 1 137 18 18 PHE CE2 C 130.158 0.300 1 138 18 18 PHE CZ C 129.858 0.300 1 139 18 18 PHE N N 122.492 0.300 1 140 19 19 ARG H H 8.870 0.030 1 141 19 19 ARG HA H 5.292 0.030 1 142 19 19 ARG HB2 H 1.995 0.030 2 143 19 19 ARG HB3 H 1.802 0.030 2 144 19 19 ARG HD2 H 3.240 0.030 1 145 19 19 ARG HD3 H 3.240 0.030 1 146 19 19 ARG HE H 7.815 0.030 1 147 19 19 ARG HG2 H 1.629 0.030 1 148 19 19 ARG HG3 H 1.629 0.030 1 149 19 19 ARG C C 176.427 0.300 1 150 19 19 ARG CA C 56.188 0.300 1 151 19 19 ARG CB C 30.086 0.300 1 152 19 19 ARG CD C 43.364 0.300 1 153 19 19 ARG CG C 27.416 0.300 1 154 19 19 ARG N N 126.852 0.300 1 155 19 19 ARG NE N 85.485 0.300 1 156 20 20 VAL H H 8.901 0.030 1 157 20 20 VAL HA H 5.311 0.030 1 158 20 20 VAL HB H 2.804 0.030 1 159 20 20 VAL HG1 H 1.001 0.030 1 160 20 20 VAL HG2 H 0.800 0.030 1 161 20 20 VAL C C 174.736 0.300 1 162 20 20 VAL CA C 59.455 0.300 1 163 20 20 VAL CB C 36.244 0.300 1 164 20 20 VAL CG1 C 24.099 0.300 2 165 20 20 VAL CG2 C 20.100 0.300 2 166 20 20 VAL N N 120.666 0.300 1 167 21 21 GLN H H 9.107 0.030 1 168 21 21 GLN HA H 5.782 0.030 1 169 21 21 GLN HB2 H 2.268 0.030 2 170 21 21 GLN HB3 H 2.473 0.030 2 171 21 21 GLN HE21 H 6.635 0.030 2 172 21 21 GLN HE22 H 8.052 0.030 2 173 21 21 GLN HG2 H 2.518 0.030 1 174 21 21 GLN HG3 H 2.518 0.030 1 175 21 21 GLN C C 175.988 0.300 1 176 21 21 GLN CA C 54.945 0.300 1 177 21 21 GLN CB C 34.208 0.300 1 178 21 21 GLN CG C 36.536 0.300 1 179 21 21 GLN N N 116.482 0.300 1 180 21 21 GLN NE2 N 112.859 0.300 1 181 22 22 TYR H H 8.871 0.030 1 182 22 22 TYR HA H 5.113 0.030 1 183 22 22 TYR HB2 H 2.926 0.030 1 184 22 22 TYR HB3 H 2.926 0.030 1 185 22 22 TYR HD1 H 6.681 0.030 1 186 22 22 TYR HD2 H 6.681 0.030 1 187 22 22 TYR HE1 H 6.539 0.030 1 188 22 22 TYR HE2 H 6.539 0.030 1 189 22 22 TYR C C 173.626 0.300 1 190 22 22 TYR CA C 54.362 0.300 1 191 22 22 TYR CB C 41.385 0.300 1 192 22 22 TYR CD1 C 132.482 0.300 1 193 22 22 TYR CD2 C 132.482 0.300 1 194 22 22 TYR CE1 C 117.986 0.300 1 195 22 22 TYR CE2 C 117.986 0.300 1 196 22 22 TYR N N 123.706 0.300 1 197 23 23 LEU H H 8.356 0.030 1 198 23 23 LEU HA H 3.293 0.030 1 199 23 23 LEU HB2 H 0.889 0.030 2 200 23 23 LEU HB3 H 0.493 0.030 2 201 23 23 LEU HD1 H -0.050 0.030 1 202 23 23 LEU HD2 H -0.013 0.030 1 203 23 23 LEU HG H -0.889 0.030 1 204 23 23 LEU CA C 58.928 0.300 1 205 23 23 LEU CB C 41.791 0.300 1 206 23 23 LEU CD1 C 25.581 0.300 2 207 23 23 LEU CD2 C 26.524 0.300 2 208 23 23 LEU CG C 30.389 0.300 1 209 23 23 LEU N N 129.908 0.300 1 210 24 24 GLY H H 5.509 0.030 1 211 24 24 GLY HA2 H 2.282 0.030 2 212 24 24 GLY HA3 H 4.031 0.030 2 213 24 24 GLY C C 169.079 0.300 1 214 24 24 GLY CA C 43.330 0.300 1 215 24 24 GLY N N 103.276 0.300 1 216 25 25 MET H H 7.570 0.030 1 217 25 25 MET HA H 5.175 0.030 1 218 25 25 MET HB2 H 1.415 0.030 2 219 25 25 MET HB3 H 1.332 0.030 2 220 25 25 MET HE H 1.873 0.030 1 221 25 25 MET HG2 H 1.615 0.030 2 222 25 25 MET HG3 H 1.958 0.030 2 223 25 25 MET C C 175.572 0.300 1 224 25 25 MET CA C 52.149 0.300 1 225 25 25 MET CB C 34.062 0.300 1 226 25 25 MET CE C 17.517 0.300 1 227 25 25 MET CG C 32.122 0.300 1 228 25 25 MET N N 116.979 0.300 1 229 26 26 LEU H H 8.556 0.030 1 230 26 26 LEU HA H 4.767 0.030 1 231 26 26 LEU HB2 H 1.437 0.030 2 232 26 26 LEU HB3 H 1.097 0.030 2 233 26 26 LEU HD1 H 0.888 0.030 1 234 26 26 LEU HD2 H 0.900 0.030 1 235 26 26 LEU HG H 1.526 0.030 1 236 26 26 LEU C C 174.663 0.300 1 237 26 26 LEU CA C 52.149 0.300 1 238 26 26 LEU CB C 46.678 0.300 1 239 26 26 LEU CD1 C 24.894 0.300 2 240 26 26 LEU CD2 C 25.936 0.300 2 241 26 26 LEU CG C 26.633 0.300 1 242 26 26 LEU N N 125.808 0.300 1 243 27 27 PRO HA H 4.935 0.030 1 244 27 27 PRO HB2 H 2.337 0.030 2 245 27 27 PRO HB3 H 1.891 0.030 2 246 27 27 PRO HD2 H 3.593 0.030 2 247 27 27 PRO HD3 H 3.761 0.030 2 248 27 27 PRO HG2 H 2.097 0.030 2 249 27 27 PRO HG3 H 1.873 0.030 2 250 27 27 PRO C C 176.656 0.300 1 251 27 27 PRO CA C 62.581 0.300 1 252 27 27 PRO CB C 32.019 0.300 1 253 27 27 PRO CD C 51.169 0.300 1 254 27 27 PRO CG C 27.645 0.300 1 255 28 28 VAL H H 8.007 0.030 1 256 28 28 VAL HA H 4.831 0.030 1 257 28 28 VAL HB H 2.138 0.030 1 258 28 28 VAL HG1 H 0.762 0.030 1 259 28 28 VAL HG2 H 0.663 0.030 1 260 28 28 VAL C C 176.163 0.300 1 261 28 28 VAL CA C 58.787 0.300 1 262 28 28 VAL CB C 36.130 0.300 1 263 28 28 VAL CG1 C 23.070 0.300 2 264 28 28 VAL CG2 C 19.195 0.300 2 265 28 28 VAL N N 112.846 0.300 1 266 29 29 ASP H H 8.494 0.030 1 267 29 29 ASP HA H 4.741 0.030 1 268 29 29 ASP HB2 H 2.735 0.030 1 269 29 29 ASP HB3 H 2.735 0.030 1 270 29 29 ASP C C 175.962 0.300 1 271 29 29 ASP CA C 54.854 0.300 1 272 29 29 ASP CB C 41.802 0.300 1 273 29 29 ASP N N 117.014 0.300 1 274 30 30 ARG H H 7.062 0.030 1 275 30 30 ARG HA H 4.545 0.030 1 276 30 30 ARG HB2 H 1.727 0.030 2 277 30 30 ARG HB3 H 1.643 0.030 2 278 30 30 ARG HD2 H 3.120 0.030 1 279 30 30 ARG HD3 H 3.120 0.030 1 280 30 30 ARG HE H 7.255 0.030 1 281 30 30 ARG HG2 H 1.534 0.030 1 282 30 30 ARG HG3 H 1.534 0.030 1 283 30 30 ARG C C 173.161 0.300 1 284 30 30 ARG CA C 52.254 0.300 1 285 30 30 ARG CB C 32.759 0.300 1 286 30 30 ARG CD C 43.263 0.300 1 287 30 30 ARG CG C 26.382 0.300 1 288 30 30 ARG N N 116.728 0.300 1 289 30 30 ARG NE N 85.562 0.300 1 290 31 31 PRO HA H 3.457 0.030 1 291 31 31 PRO HB2 H 1.420 0.030 2 292 31 31 PRO HB3 H 1.269 0.030 2 293 31 31 PRO HD2 H 2.906 0.030 2 294 31 31 PRO HD3 H 3.478 0.030 2 295 31 31 PRO HG2 H 1.726 0.030 2 296 31 31 PRO HG3 H 1.815 0.030 2 297 31 31 PRO C C 176.047 0.300 1 298 31 31 PRO CA C 62.162 0.300 1 299 31 31 PRO CB C 31.647 0.300 1 300 31 31 PRO CD C 49.452 0.300 1 301 31 31 PRO CG C 26.018 0.300 1 302 32 32 VAL H H 6.267 0.030 1 303 32 32 VAL HA H 3.682 0.030 1 304 32 32 VAL HB H 1.596 0.030 1 305 32 32 VAL HG1 H 0.708 0.030 1 306 32 32 VAL HG2 H 0.514 0.030 1 307 32 32 VAL C C 174.195 0.300 1 308 32 32 VAL CA C 58.061 0.300 1 309 32 32 VAL CB C 36.904 0.300 1 310 32 32 VAL CG1 C 21.497 0.300 2 311 32 32 VAL CG2 C 18.381 0.300 2 312 32 32 VAL N N 106.878 0.300 1 313 33 33 GLY H H 3.372 0.030 1 314 33 33 GLY HA2 H 4.222 0.030 2 315 33 33 GLY HA3 H 3.168 0.030 2 316 33 33 GLY C C 173.690 0.300 1 317 33 33 GLY CA C 44.668 0.300 1 318 33 33 GLY N N 105.719 0.300 1 319 34 34 MET H H 8.940 0.030 1 320 34 34 MET HA H 4.740 0.030 1 321 34 34 MET HB2 H 2.034 0.030 1 322 34 34 MET HB3 H 2.034 0.030 1 323 34 34 MET HE H 2.055 0.030 1 324 34 34 MET HG2 H 2.463 0.030 2 325 34 34 MET HG3 H 2.581 0.030 2 326 34 34 MET C C 178.879 0.300 1 327 34 34 MET CA C 55.556 0.300 1 328 34 34 MET CB C 29.142 0.300 1 329 34 34 MET CE C 16.099 0.300 1 330 34 34 MET CG C 32.337 0.300 1 331 34 34 MET N N 125.147 0.300 1 332 35 35 ASP H H 8.950 0.030 1 333 35 35 ASP HA H 4.376 0.030 1 334 35 35 ASP HB2 H 2.696 0.030 2 335 35 35 ASP HB3 H 2.603 0.030 2 336 35 35 ASP C C 179.231 0.300 1 337 35 35 ASP CA C 56.926 0.300 1 338 35 35 ASP CB C 38.517 0.300 1 339 35 35 ASP N N 120.230 0.300 1 340 36 36 THR H H 7.481 0.030 1 341 36 36 THR HA H 3.697 0.030 1 342 36 36 THR HB H 3.799 0.030 1 343 36 36 THR HG2 H 1.066 0.030 1 344 36 36 THR C C 176.415 0.300 1 345 36 36 THR CA C 66.215 0.300 1 346 36 36 THR CB C 68.498 0.300 1 347 36 36 THR CG2 C 21.722 0.300 1 348 36 36 THR N N 119.854 0.300 1 349 37 37 LEU H H 7.928 0.030 1 350 37 37 LEU HA H 3.735 0.030 1 351 37 37 LEU HB2 H 1.854 0.030 2 352 37 37 LEU HB3 H 1.600 0.030 2 353 37 37 LEU HD1 H 0.713 0.030 1 354 37 37 LEU HD2 H 0.594 0.030 1 355 37 37 LEU HG H 1.363 0.030 1 356 37 37 LEU C C 178.436 0.300 1 357 37 37 LEU CA C 58.766 0.300 1 358 37 37 LEU CB C 44.226 0.300 1 359 37 37 LEU CD1 C 26.445 0.300 2 360 37 37 LEU CD2 C 25.561 0.300 2 361 37 37 LEU CG C 26.295 0.300 1 362 37 37 LEU N N 122.204 0.300 1 363 38 38 ASN H H 9.105 0.030 1 364 38 38 ASN HA H 4.543 0.030 1 365 38 38 ASN HB2 H 2.928 0.030 2 366 38 38 ASN HB3 H 2.554 0.030 2 367 38 38 ASN HD21 H 7.683 0.030 2 368 38 38 ASN HD22 H 7.247 0.030 2 369 38 38 ASN C C 178.105 0.300 1 370 38 38 ASN CA C 56.491 0.300 1 371 38 38 ASN CB C 38.112 0.300 1 372 38 38 ASN N N 114.785 0.300 1 373 38 38 ASN ND2 N 112.358 0.300 1 374 39 39 SER H H 7.738 0.030 1 375 39 39 SER HA H 4.187 0.030 1 376 39 39 SER HB2 H 3.955 0.030 2 377 39 39 SER HB3 H 3.908 0.030 2 378 39 39 SER C C 176.513 0.300 1 379 39 39 SER CA C 61.843 0.300 1 380 39 39 SER CB C 62.518 0.300 1 381 39 39 SER N N 114.870 0.300 1 382 40 40 ALA H H 7.201 0.030 1 383 40 40 ALA HA H 4.081 0.030 1 384 40 40 ALA HB H 1.290 0.030 1 385 40 40 ALA C C 178.729 0.300 1 386 40 40 ALA CA C 55.029 0.300 1 387 40 40 ALA CB C 18.609 0.300 1 388 40 40 ALA N N 124.154 0.300 1 389 41 41 ILE H H 8.197 0.030 1 390 41 41 ILE HA H 3.325 0.030 1 391 41 41 ILE HB H 1.939 0.030 1 392 41 41 ILE HD1 H 0.638 0.030 1 393 41 41 ILE HG12 H 0.730 0.030 2 394 41 41 ILE HG13 H 1.746 0.030 2 395 41 41 ILE HG2 H 0.921 0.030 1 396 41 41 ILE C C 177.787 0.300 1 397 41 41 ILE CA C 66.495 0.300 1 398 41 41 ILE CB C 38.973 0.300 1 399 41 41 ILE CD1 C 12.946 0.300 1 400 41 41 ILE CG1 C 28.979 0.300 1 401 41 41 ILE CG2 C 17.730 0.300 1 402 41 41 ILE N N 116.763 0.300 1 403 42 42 GLU H H 8.467 0.030 1 404 42 42 GLU HA H 3.900 0.030 1 405 42 42 GLU HB2 H 2.029 0.030 1 406 42 42 GLU HB3 H 2.029 0.030 1 407 42 42 GLU HG2 H 2.478 0.030 2 408 42 42 GLU HG3 H 2.335 0.030 2 409 42 42 GLU C C 179.458 0.300 1 410 42 42 GLU CA C 59.385 0.300 1 411 42 42 GLU CB C 28.889 0.300 1 412 42 42 GLU CG C 36.775 0.300 1 413 42 42 GLU N N 116.140 0.300 1 414 43 43 ASN H H 7.834 0.030 1 415 43 43 ASN HA H 4.329 0.030 1 416 43 43 ASN HB2 H 2.854 0.030 2 417 43 43 ASN HB3 H 2.772 0.030 2 418 43 43 ASN HD21 H 6.769 0.030 2 419 43 43 ASN HD22 H 7.279 0.030 2 420 43 43 ASN C C 178.644 0.300 1 421 43 43 ASN CA C 56.540 0.300 1 422 43 43 ASN CB C 38.957 0.300 1 423 43 43 ASN N N 118.643 0.300 1 424 43 43 ASN ND2 N 111.695 0.300 1 425 44 44 LEU H H 7.933 0.030 1 426 44 44 LEU HA H 4.073 0.030 1 427 44 44 LEU HB2 H 1.551 0.030 2 428 44 44 LEU HB3 H 0.959 0.030 2 429 44 44 LEU HD1 H 0.229 0.030 1 430 44 44 LEU HD2 H 0.596 0.030 1 431 44 44 LEU HG H 1.526 0.030 1 432 44 44 LEU C C 179.827 0.300 1 433 44 44 LEU CA C 57.874 0.300 1 434 44 44 LEU CB C 41.884 0.300 1 435 44 44 LEU CD1 C 25.443 0.300 2 436 44 44 LEU CD2 C 22.237 0.300 2 437 44 44 LEU CG C 26.728 0.300 1 438 44 44 LEU N N 119.737 0.300 1 439 45 45 MET H H 8.593 0.030 1 440 45 45 MET HA H 4.248 0.030 1 441 45 45 MET HB2 H 2.287 0.030 2 442 45 45 MET HB3 H 2.195 0.030 2 443 45 45 MET HE H 2.331 0.030 1 444 45 45 MET HG2 H 2.455 0.030 2 445 45 45 MET HG3 H 2.753 0.030 2 446 45 45 MET C C 177.300 0.300 1 447 45 45 MET CA C 58.717 0.300 1 448 45 45 MET CB C 33.613 0.300 1 449 45 45 MET CE C 17.079 0.300 1 450 45 45 MET CG C 33.029 0.300 1 451 45 45 MET N N 118.450 0.300 1 452 46 46 THR H H 7.763 0.030 1 453 46 46 THR HA H 4.423 0.030 1 454 46 46 THR HB H 4.430 0.030 1 455 46 46 THR HG2 H 1.342 0.030 1 456 46 46 THR C C 175.759 0.300 1 457 46 46 THR CA C 63.478 0.300 1 458 46 46 THR CB C 69.865 0.300 1 459 46 46 THR CG2 C 21.593 0.300 1 460 46 46 THR N N 108.368 0.300 1 461 47 47 SER H H 7.744 0.030 1 462 47 47 SER HA H 4.555 0.030 1 463 47 47 SER HB2 H 4.053 0.030 2 464 47 47 SER HB3 H 3.955 0.030 2 465 47 47 SER C C 173.440 0.300 1 466 47 47 SER CA C 58.998 0.300 1 467 47 47 SER CB C 64.326 0.300 1 468 47 47 SER N N 115.327 0.300 1 469 48 48 SER H H 7.735 0.030 1 470 48 48 SER HA H 4.712 0.030 1 471 48 48 SER HB2 H 4.111 0.030 1 472 48 48 SER HB3 H 4.111 0.030 1 473 48 48 SER C C 172.189 0.300 1 474 48 48 SER CA C 57.664 0.300 1 475 48 48 SER CB C 65.724 0.300 1 476 48 48 SER N N 114.464 0.300 1 477 49 49 SER H H 8.586 0.030 1 478 49 49 SER HA H 4.400 0.030 1 479 49 49 SER HB2 H 3.629 0.030 2 480 49 49 SER HB3 H 3.589 0.030 2 481 49 49 SER C C 173.440 0.300 1 482 49 49 SER CA C 56.891 0.300 1 483 49 49 SER CB C 65.011 0.300 1 484 49 49 SER N N 115.059 0.300 1 485 50 50 LYS H H 7.631 0.030 1 486 50 50 LYS HA H 1.301 0.030 1 487 50 50 LYS HB2 H 0.878 0.030 2 488 50 50 LYS HB3 H 0.710 0.030 2 489 50 50 LYS HD2 H 1.030 0.030 2 490 50 50 LYS HD3 H 0.916 0.030 2 491 50 50 LYS HE2 H 2.274 0.030 2 492 50 50 LYS HE3 H 2.493 0.030 2 493 50 50 LYS HG2 H 0.578 0.030 2 494 50 50 LYS HG3 H 0.707 0.030 2 495 50 50 LYS C C 177.257 0.300 1 496 50 50 LYS CA C 57.207 0.300 1 497 50 50 LYS CB C 32.102 0.300 1 498 50 50 LYS CD C 29.142 0.300 1 499 50 50 LYS CE C 41.555 0.300 1 500 50 50 LYS CG C 23.717 0.300 1 501 50 50 LYS N N 123.344 0.300 1 502 51 51 GLU H H 7.927 0.030 1 503 51 51 GLU HA H 3.765 0.030 1 504 51 51 GLU HB2 H 1.808 0.030 2 505 51 51 GLU HB3 H 1.661 0.030 2 506 51 51 GLU HG2 H 2.093 0.030 2 507 51 51 GLU HG3 H 2.057 0.030 2 508 51 51 GLU C C 176.968 0.300 1 509 51 51 GLU CA C 58.081 0.300 1 510 51 51 GLU CB C 28.731 0.300 1 511 51 51 GLU CG C 36.364 0.300 1 512 51 51 GLU N N 115.374 0.300 1 513 52 52 ASP H H 7.758 0.030 1 514 52 52 ASP HA H 4.566 0.030 1 515 52 52 ASP HB2 H 2.844 0.030 2 516 52 52 ASP HB3 H 2.703 0.030 2 517 52 52 ASP C C 176.770 0.300 1 518 52 52 ASP CA C 54.537 0.300 1 519 52 52 ASP CB C 41.808 0.300 1 520 52 52 ASP N N 117.368 0.300 1 521 53 53 TRP H H 7.009 0.030 1 522 53 53 TRP HA H 5.245 0.030 1 523 53 53 TRP HB2 H 3.372 0.030 2 524 53 53 TRP HB3 H 2.791 0.030 2 525 53 53 TRP HD1 H 6.925 0.030 1 526 53 53 TRP HE1 H 9.865 0.030 1 527 53 53 TRP HE3 H 6.911 0.030 1 528 53 53 TRP HH2 H 6.581 0.030 1 529 53 53 TRP HZ2 H 7.273 0.030 1 530 53 53 TRP HZ3 H 5.884 0.030 1 531 53 53 TRP C C 174.663 0.300 1 532 53 53 TRP CA C 53.027 0.300 1 533 53 53 TRP CB C 28.508 0.300 1 534 53 53 TRP CD1 C 124.714 0.300 1 535 53 53 TRP CE3 C 120.078 0.300 1 536 53 53 TRP CH2 C 123.858 0.300 1 537 53 53 TRP CZ2 C 114.432 0.300 1 538 53 53 TRP CZ3 C 121.558 0.300 1 539 53 53 TRP N N 123.763 0.300 1 540 53 53 TRP NE1 N 129.578 0.300 1 541 54 54 PRO HA H 4.611 0.030 1 542 54 54 PRO HB2 H 2.459 0.030 2 543 54 54 PRO HB3 H 1.995 0.030 2 544 54 54 PRO HD2 H 4.211 0.030 2 545 54 54 PRO HD3 H 4.734 0.030 2 546 54 54 PRO HG2 H 2.291 0.030 2 547 54 54 PRO HG3 H 2.251 0.030 2 548 54 54 PRO C C 176.813 0.300 1 549 54 54 PRO CA C 63.108 0.300 1 550 54 54 PRO CB C 32.513 0.300 1 551 54 54 PRO CD C 51.348 0.300 1 552 54 54 PRO CG C 27.558 0.300 1 553 55 55 SER H H 8.734 0.030 1 554 55 55 SER HA H 5.022 0.030 1 555 55 55 SER HB2 H 3.880 0.030 1 556 55 55 SER HB3 H 3.880 0.030 1 557 55 55 SER C C 174.529 0.300 1 558 55 55 SER CA C 59.174 0.300 1 559 55 55 SER CB C 63.388 0.300 1 560 55 55 SER N N 117.454 0.300 1 561 56 56 VAL H H 9.421 0.030 1 562 56 56 VAL HA H 5.014 0.030 1 563 56 56 VAL HB H 2.138 0.030 1 564 56 56 VAL HG1 H 0.859 0.030 1 565 56 56 VAL HG2 H 0.739 0.030 1 566 56 56 VAL C C 173.559 0.300 1 567 56 56 VAL CA C 58.752 0.300 1 568 56 56 VAL CB C 35.882 0.300 1 569 56 56 VAL CG1 C 22.319 0.300 2 570 56 56 VAL CG2 C 20.550 0.300 2 571 56 56 VAL N N 118.721 0.300 1 572 57 57 ASN H H 9.087 0.030 1 573 57 57 ASN HA H 5.605 0.030 1 574 57 57 ASN HB2 H 2.512 0.030 2 575 57 57 ASN HB3 H 2.389 0.030 2 576 57 57 ASN HD21 H 7.353 0.030 2 577 57 57 ASN HD22 H 6.981 0.030 2 578 57 57 ASN C C 174.256 0.300 1 579 57 57 ASN CA C 52.060 0.300 1 580 57 57 ASN CB C 41.144 0.300 1 581 57 57 ASN N N 117.537 0.300 1 582 57 57 ASN ND2 N 112.796 0.300 1 583 58 58 MET H H 9.603 0.030 1 584 58 58 MET HA H 4.922 0.030 1 585 58 58 MET HB2 H 2.019 0.030 2 586 58 58 MET HB3 H 1.577 0.030 2 587 58 58 MET HE H 0.954 0.030 1 588 58 58 MET HG2 H 1.898 0.030 1 589 58 58 MET HG3 H 1.898 0.030 1 590 58 58 MET C C 173.748 0.300 1 591 58 58 MET CA C 54.397 0.300 1 592 58 58 MET CB C 35.865 0.300 1 593 58 58 MET CE C 15.125 0.300 1 594 58 58 MET CG C 31.562 0.300 1 595 58 58 MET N N 124.777 0.300 1 596 59 59 ASN H H 9.468 0.030 1 597 59 59 ASN HA H 5.409 0.030 1 598 59 59 ASN HB2 H 2.775 0.030 2 599 59 59 ASN HB3 H 2.401 0.030 2 600 59 59 ASN HD21 H 6.595 0.030 2 601 59 59 ASN HD22 H 6.833 0.030 2 602 59 59 ASN C C 174.680 0.300 1 603 59 59 ASN CA C 51.856 0.300 1 604 59 59 ASN CB C 40.443 0.300 1 605 59 59 ASN N N 127.198 0.300 1 606 59 59 ASN ND2 N 109.193 0.300 1 607 60 60 VAL H H 9.269 0.030 1 608 60 60 VAL HA H 4.481 0.030 1 609 60 60 VAL HB H 2.127 0.030 1 610 60 60 VAL HG1 H 0.780 0.030 1 611 60 60 VAL HG2 H 0.734 0.030 1 612 60 60 VAL C C 174.293 0.300 1 613 60 60 VAL CA C 62.152 0.300 1 614 60 60 VAL CB C 32.693 0.300 1 615 60 60 VAL CG1 C 20.868 0.300 2 616 60 60 VAL CG2 C 21.668 0.300 2 617 60 60 VAL N N 125.547 0.300 1 618 61 61 ALA H H 8.446 0.030 1 619 61 61 ALA HA H 4.734 0.030 1 620 61 61 ALA HB H 1.442 0.030 1 621 61 61 ALA C C 175.821 0.300 1 622 61 61 ALA CA C 51.130 0.300 1 623 61 61 ALA CB C 22.066 0.300 1 624 61 61 ALA N N 130.109 0.300 1 625 62 62 ASP H H 8.871 0.030 1 626 62 62 ASP HA H 4.295 0.030 1 627 62 62 ASP HB2 H 2.572 0.030 2 628 62 62 ASP HB3 H 2.782 0.030 2 629 62 62 ASP C C 176.843 0.300 1 630 62 62 ASP CA C 56.188 0.300 1 631 62 62 ASP CB C 39.990 0.300 1 632 62 62 ASP N N 118.939 0.300 1 633 63 63 ALA H H 8.775 0.030 1 634 63 63 ALA HA H 4.184 0.030 1 635 63 63 ALA HB H 1.492 0.030 1 636 63 63 ALA C C 177.729 0.300 1 637 63 63 ALA CA C 52.711 0.300 1 638 63 63 ALA CB C 19.074 0.300 1 639 63 63 ALA N N 117.468 0.300 1 640 64 64 THR H H 7.610 0.030 1 641 64 64 THR HA H 4.946 0.030 1 642 64 64 THR HB H 3.988 0.030 1 643 64 64 THR HG2 H 1.035 0.030 1 644 64 64 THR C C 171.926 0.300 1 645 64 64 THR CA C 61.949 0.300 1 646 64 64 THR CB C 72.553 0.300 1 647 64 64 THR CG2 C 21.908 0.300 1 648 64 64 THR N N 113.852 0.300 1 649 65 65 VAL H H 8.777 0.030 1 650 65 65 VAL HA H 4.658 0.030 1 651 65 65 VAL HB H 1.684 0.030 1 652 65 65 VAL HG1 H 0.616 0.030 1 653 65 65 VAL HG2 H 0.616 0.030 1 654 65 65 VAL C C 174.579 0.300 1 655 65 65 VAL CA C 61.422 0.300 1 656 65 65 VAL CB C 33.676 0.300 1 657 65 65 VAL CG1 C 20.802 0.300 2 658 65 65 VAL CG2 C 20.802 0.300 2 659 65 65 VAL N N 125.994 0.300 1 660 66 66 THR H H 8.955 0.030 1 661 66 66 THR HA H 5.081 0.030 1 662 66 66 THR HB H 3.926 0.030 1 663 66 66 THR HG2 H 1.267 0.030 1 664 66 66 THR C C 173.353 0.300 1 665 66 66 THR CA C 61.071 0.300 1 666 66 66 THR CB C 70.767 0.300 1 667 66 66 THR CG2 C 22.725 0.300 1 668 66 66 THR N N 122.136 0.300 1 669 67 67 VAL H H 9.146 0.030 1 670 67 67 VAL HA H 4.831 0.030 1 671 67 67 VAL HB H 1.904 0.030 1 672 67 67 VAL HG1 H 0.655 0.030 1 673 67 67 VAL HG2 H 0.767 0.030 1 674 67 67 VAL C C 174.348 0.300 1 675 67 67 VAL CA C 61.281 0.300 1 676 67 67 VAL CB C 32.724 0.300 1 677 67 67 VAL CG1 C 21.840 0.300 2 678 67 67 VAL CG2 C 21.108 0.300 2 679 67 67 VAL N N 126.584 0.300 1 680 68 68 ILE H H 9.104 0.030 1 681 68 68 ILE HA H 4.857 0.030 1 682 68 68 ILE HB H 1.738 0.030 1 683 68 68 ILE HD1 H 0.824 0.030 1 684 68 68 ILE HG12 H 1.451 0.030 2 685 68 68 ILE HG13 H 1.030 0.030 2 686 68 68 ILE HG2 H 1.014 0.030 1 687 68 68 ILE C C 175.411 0.300 1 688 68 68 ILE CA C 59.876 0.300 1 689 68 68 ILE CB C 41.577 0.300 1 690 68 68 ILE CD1 C 13.467 0.300 1 691 68 68 ILE CG1 C 28.325 0.300 1 692 68 68 ILE CG2 C 18.248 0.300 1 693 68 68 ILE N N 128.076 0.300 1 694 69 69 SER H H 8.444 0.030 1 695 69 69 SER HA H 4.368 0.030 1 696 69 69 SER HB2 H 4.149 0.030 2 697 69 69 SER HB3 H 4.330 0.030 2 698 69 69 SER C C 175.015 0.300 1 699 69 69 SER CA C 58.928 0.300 1 700 69 69 SER CB C 63.924 0.300 1 701 69 69 SER N N 120.205 0.300 1 702 70 70 GLU H H 8.341 0.030 1 703 70 70 GLU HA H 4.188 0.030 1 704 70 70 GLU HB2 H 1.849 0.030 2 705 70 70 GLU HB3 H 1.964 0.030 2 706 70 70 GLU HG2 H 2.197 0.030 1 707 70 70 GLU HG3 H 2.197 0.030 1 708 70 70 GLU C C 177.134 0.300 1 709 70 70 GLU CA C 58.296 0.300 1 710 70 70 GLU CB C 29.882 0.300 1 711 70 70 GLU CG C 36.623 0.300 1 712 70 70 GLU N N 124.461 0.300 1 713 71 71 LYS H H 8.106 0.030 1 714 71 71 LYS HA H 4.263 0.030 1 715 71 71 LYS HB2 H 1.782 0.030 2 716 71 71 LYS HB3 H 1.869 0.030 2 717 71 71 LYS HD2 H 1.715 0.030 1 718 71 71 LYS HD3 H 1.715 0.030 1 719 71 71 LYS HE2 H 3.037 0.030 1 720 71 71 LYS HE3 H 3.037 0.030 1 721 71 71 LYS HG2 H 1.445 0.030 2 722 71 71 LYS HG3 H 1.507 0.030 2 723 71 71 LYS C C 176.381 0.300 1 724 71 71 LYS CA C 56.961 0.300 1 725 71 71 LYS CB C 33.417 0.300 1 726 71 71 LYS CD C 29.158 0.300 1 727 71 71 LYS CE C 42.131 0.300 1 728 71 71 LYS CG C 25.032 0.300 1 729 71 71 LYS N N 117.211 0.300 1 730 72 72 ASN H H 7.469 0.030 1 731 72 72 ASN HA H 4.716 0.030 1 732 72 72 ASN HB2 H 2.883 0.030 2 733 72 72 ASN HB3 H 2.762 0.030 2 734 72 72 ASN HD21 H 7.716 0.030 2 735 72 72 ASN HD22 H 7.015 0.030 2 736 72 72 ASN C C 174.622 0.300 1 737 72 72 ASN CA C 52.851 0.300 1 738 72 72 ASN CB C 38.678 0.300 1 739 72 72 ASN N N 116.249 0.300 1 740 72 72 ASN ND2 N 112.472 0.300 1 741 73 73 GLU H H 8.666 0.030 1 742 73 73 GLU HA H 4.159 0.030 1 743 73 73 GLU HB2 H 1.995 0.030 2 744 73 73 GLU HB3 H 2.066 0.030 2 745 73 73 GLU HG2 H 2.275 0.030 1 746 73 73 GLU HG3 H 2.275 0.030 1 747 73 73 GLU C C 175.658 0.300 1 748 73 73 GLU CA C 57.980 0.300 1 749 73 73 GLU CB C 29.142 0.300 1 750 73 73 GLU CG C 36.541 0.300 1 751 73 73 GLU N N 121.368 0.300 1 752 74 74 GLU H H 8.034 0.030 1 753 74 74 GLU HA H 4.184 0.030 1 754 74 74 GLU HB2 H 2.086 0.030 2 755 74 74 GLU HB3 H 1.930 0.030 2 756 74 74 GLU HG2 H 2.145 0.030 2 757 74 74 GLU HG3 H 2.255 0.030 2 758 74 74 GLU C C 176.237 0.300 1 759 74 74 GLU CA C 56.399 0.300 1 760 74 74 GLU CB C 29.224 0.300 1 761 74 74 GLU CG C 36.705 0.300 1 762 74 74 GLU N N 115.553 0.300 1 763 75 75 GLU H H 7.962 0.030 1 764 75 75 GLU HA H 4.313 0.030 1 765 75 75 GLU HB2 H 2.245 0.030 2 766 75 75 GLU HB3 H 1.895 0.030 2 767 75 75 GLU HG2 H 2.065 0.030 2 768 75 75 GLU HG3 H 2.144 0.030 2 769 75 75 GLU C C 173.924 0.300 1 770 75 75 GLU CA C 55.942 0.300 1 771 75 75 GLU CB C 30.192 0.300 1 772 75 75 GLU CG C 36.190 0.300 1 773 75 75 GLU N N 122.561 0.300 1 774 76 76 VAL H H 8.302 0.030 1 775 76 76 VAL HA H 4.036 0.030 1 776 76 76 VAL HB H 1.998 0.030 1 777 76 76 VAL HG1 H 0.890 0.030 1 778 76 76 VAL HG2 H 0.775 0.030 1 779 76 76 VAL C C 176.593 0.300 1 780 76 76 VAL CA C 62.710 0.300 1 781 76 76 VAL CB C 31.858 0.300 1 782 76 76 VAL CG1 C 21.108 0.300 2 783 76 76 VAL CG2 C 21.610 0.300 2 784 76 76 VAL N N 127.114 0.300 1 785 77 77 LEU H H 9.052 0.030 1 786 77 77 LEU HA H 4.352 0.030 1 787 77 77 LEU HB2 H 1.497 0.030 2 788 77 77 LEU HB3 H 1.318 0.030 2 789 77 77 LEU HD1 H 0.893 0.030 1 790 77 77 LEU HD2 H 0.875 0.030 1 791 77 77 LEU HG H 1.683 0.030 1 792 77 77 LEU C C 177.555 0.300 1 793 77 77 LEU CA C 56.680 0.300 1 794 77 77 LEU CB C 42.824 0.300 1 795 77 77 LEU CD1 C 25.961 0.300 2 796 77 77 LEU CD2 C 23.117 0.300 2 797 77 77 LEU CG C 27.853 0.300 1 798 77 77 LEU N N 129.817 0.300 1 799 78 78 VAL H H 7.363 0.030 1 800 78 78 VAL HA H 4.191 0.030 1 801 78 78 VAL HB H 1.726 0.030 1 802 78 78 VAL HG1 H 0.516 0.030 1 803 78 78 VAL HG2 H 0.572 0.030 1 804 78 78 VAL C C 172.861 0.300 1 805 78 78 VAL CA C 61.329 0.300 1 806 78 78 VAL CB C 35.787 0.300 1 807 78 78 VAL CG1 C 19.741 0.300 2 808 78 78 VAL CG2 C 21.383 0.300 2 809 78 78 VAL N N 115.050 0.300 1 810 79 79 GLU H H 8.734 0.030 1 811 79 79 GLU HA H 4.797 0.030 1 812 79 79 GLU HB2 H 1.969 0.030 2 813 79 79 GLU HB3 H 1.772 0.030 2 814 79 79 GLU HG2 H 2.035 0.030 2 815 79 79 GLU HG3 H 1.856 0.030 2 816 79 79 GLU C C 173.658 0.300 1 817 79 79 GLU CA C 55.591 0.300 1 818 79 79 GLU CB C 32.019 0.300 1 819 79 79 GLU CG C 36.787 0.300 1 820 79 79 GLU N N 128.014 0.300 1 821 80 80 CYS H H 9.259 0.030 1 822 80 80 CYS HA H 4.933 0.030 1 823 80 80 CYS HB2 H 2.871 0.030 2 824 80 80 CYS HB3 H 2.513 0.030 2 825 80 80 CYS C C 174.922 0.300 1 826 80 80 CYS CA C 57.102 0.300 1 827 80 80 CYS CB C 29.183 0.300 1 828 80 80 CYS N N 127.055 0.300 1 829 81 81 ARG H H 9.199 0.030 1 830 81 81 ARG HA H 4.708 0.030 1 831 81 81 ARG HB2 H 2.000 0.030 2 832 81 81 ARG HB3 H 2.160 0.030 2 833 81 81 ARG HD2 H 3.277 0.030 1 834 81 81 ARG HD3 H 3.277 0.030 1 835 81 81 ARG HE H 7.365 0.030 1 836 81 81 ARG HG2 H 1.886 0.030 1 837 81 81 ARG HG3 H 1.886 0.030 1 838 81 81 ARG C C 178.761 0.300 1 839 81 81 ARG CA C 56.715 0.300 1 840 81 81 ARG CB C 29.948 0.300 1 841 81 81 ARG CD C 43.282 0.300 1 842 81 81 ARG CG C 27.558 0.300 1 843 81 81 ARG N N 130.383 0.300 1 844 82 82 VAL H H 8.469 0.030 1 845 82 82 VAL HA H 3.679 0.030 1 846 82 82 VAL HB H 2.287 0.030 1 847 82 82 VAL HG1 H 0.833 0.030 1 848 82 82 VAL HG2 H 0.903 0.030 1 849 82 82 VAL C C 177.052 0.300 1 850 82 82 VAL CA C 66.550 0.300 1 851 82 82 VAL CB C 31.062 0.300 1 852 82 82 VAL CG1 C 21.722 0.300 2 853 82 82 VAL CG2 C 20.379 0.300 2 854 82 82 VAL N N 122.554 0.300 1 855 83 83 ARG H H 8.059 0.030 1 856 83 83 ARG HA H 4.086 0.030 1 857 83 83 ARG HB2 H 1.670 0.030 2 858 83 83 ARG HB3 H 1.347 0.030 2 859 83 83 ARG HD2 H 2.758 0.030 2 860 83 83 ARG HD3 H 2.909 0.030 2 861 83 83 ARG HG2 H 1.155 0.030 2 862 83 83 ARG HG3 H 0.758 0.030 2 863 83 83 ARG C C 175.260 0.300 1 864 83 83 ARG CA C 57.699 0.300 1 865 83 83 ARG CB C 29.633 0.300 1 866 83 83 ARG CD C 43.117 0.300 1 867 83 83 ARG CG C 26.382 0.300 1 868 83 83 ARG N N 117.669 0.300 1 869 84 84 PHE H H 8.216 0.030 1 870 84 84 PHE HA H 5.058 0.030 1 871 84 84 PHE HB2 H 4.455 0.030 2 872 84 84 PHE HB3 H 2.960 0.030 2 873 84 84 PHE HD1 H 7.414 0.030 1 874 84 84 PHE HD2 H 7.414 0.030 1 875 84 84 PHE HE1 H 7.349 0.030 1 876 84 84 PHE HE2 H 7.349 0.030 1 877 84 84 PHE C C 173.004 0.300 1 878 84 84 PHE CA C 57.734 0.300 1 879 84 84 PHE CB C 39.612 0.300 1 880 84 84 PHE CD1 C 131.483 0.300 1 881 84 84 PHE CD2 C 131.483 0.300 1 882 84 84 PHE CE1 C 131.308 0.300 1 883 84 84 PHE CE2 C 131.308 0.300 1 884 84 84 PHE N N 115.732 0.300 1 885 85 85 LEU H H 7.739 0.030 1 886 85 85 LEU HA H 4.831 0.030 1 887 85 85 LEU HB2 H 1.965 0.030 2 888 85 85 LEU HB3 H 1.444 0.030 2 889 85 85 LEU HD1 H 0.216 0.030 1 890 85 85 LEU HD2 H 0.755 0.030 1 891 85 85 LEU HG H 1.642 0.030 1 892 85 85 LEU C C 175.698 0.300 1 893 85 85 LEU CA C 55.591 0.300 1 894 85 85 LEU CB C 43.219 0.300 1 895 85 85 LEU CD1 C 26.283 0.300 2 896 85 85 LEU CD2 C 25.263 0.300 2 897 85 85 LEU CG C 28.796 0.300 1 898 85 85 LEU N N 125.837 0.300 1 899 86 86 SER H H 9.028 0.030 1 900 86 86 SER HA H 3.921 0.030 1 901 86 86 SER HB2 H 3.163 0.030 2 902 86 86 SER HB3 H 2.264 0.030 2 903 86 86 SER C C 176.718 0.300 1 904 86 86 SER CA C 60.645 0.300 1 905 86 86 SER CB C 62.764 0.300 1 906 86 86 SER N N 121.012 0.300 1 907 87 87 PHE H H 7.670 0.030 1 908 87 87 PHE HA H 5.497 0.030 1 909 87 87 PHE HB2 H 3.673 0.030 2 910 87 87 PHE HB3 H 2.622 0.030 2 911 87 87 PHE HD1 H 7.050 0.030 1 912 87 87 PHE HD2 H 7.050 0.030 1 913 87 87 PHE HE1 H 7.270 0.030 1 914 87 87 PHE HE2 H 7.270 0.030 1 915 87 87 PHE HZ H 7.402 0.030 1 916 87 87 PHE C C 172.044 0.300 1 917 87 87 PHE CA C 57.314 0.300 1 918 87 87 PHE CB C 46.323 0.300 1 919 87 87 PHE CE1 C 130.376 0.300 1 920 87 87 PHE CE2 C 130.376 0.300 1 921 87 87 PHE N N 124.644 0.300 1 922 88 88 MET H H 7.673 0.030 1 923 88 88 MET HA H 5.271 0.030 1 924 88 88 MET HB2 H 2.364 0.030 2 925 88 88 MET HB3 H 2.090 0.030 2 926 88 88 MET HE H 2.043 0.030 1 927 88 88 MET HG2 H 2.675 0.030 2 928 88 88 MET HG3 H 2.305 0.030 2 929 88 88 MET C C 171.252 0.300 1 930 88 88 MET CA C 54.362 0.300 1 931 88 88 MET CB C 36.952 0.300 1 932 88 88 MET CE C 20.051 0.300 1 933 88 88 MET CG C 31.649 0.300 1 934 88 88 MET N N 121.732 0.300 1 935 89 89 GLY H H 8.094 0.030 1 936 89 89 GLY HA2 H 4.145 0.030 2 937 89 89 GLY HA3 H 3.799 0.030 2 938 89 89 GLY C C 169.059 0.300 1 939 89 89 GLY CA C 46.037 0.300 1 940 89 89 GLY N N 103.015 0.300 1 941 90 90 VAL H H 6.860 0.030 1 942 90 90 VAL HA H 4.895 0.030 1 943 90 90 VAL HB H 1.279 0.030 1 944 90 90 VAL HG1 H 1.274 0.030 1 945 90 90 VAL HG2 H 0.919 0.030 1 946 90 90 VAL C C 174.996 0.300 1 947 90 90 VAL CA C 59.490 0.300 1 948 90 90 VAL CB C 35.767 0.300 1 949 90 90 VAL CG1 C 20.273 0.300 2 950 90 90 VAL CG2 C 23.104 0.300 2 951 90 90 VAL N N 119.140 0.300 1 952 91 91 GLY H H 7.507 0.030 1 953 91 91 GLY HA2 H 4.624 0.030 2 954 91 91 GLY HA3 H 3.733 0.030 2 955 91 91 GLY C C 172.241 0.300 1 956 91 91 GLY CA C 44.946 0.300 1 957 91 91 GLY N N 110.880 0.300 1 958 92 92 LYS H H 8.101 0.030 1 959 92 92 LYS HA H 3.803 0.030 1 960 92 92 LYS HB2 H 1.739 0.030 1 961 92 92 LYS HB3 H 1.739 0.030 1 962 92 92 LYS HD2 H 1.656 0.030 1 963 92 92 LYS HD3 H 1.656 0.030 1 964 92 92 LYS HE2 H 2.920 0.030 2 965 92 92 LYS HE3 H 2.963 0.030 2 966 92 92 LYS HG2 H 1.415 0.030 1 967 92 92 LYS HG3 H 1.415 0.030 1 968 92 92 LYS C C 177.984 0.300 1 969 92 92 LYS CA C 59.212 0.300 1 970 92 92 LYS CB C 32.323 0.300 1 971 92 92 LYS CD C 29.142 0.300 1 972 92 92 LYS CE C 42.131 0.300 1 973 92 92 LYS CG C 25.114 0.300 1 974 92 92 LYS N N 117.774 0.300 1 975 93 93 ASP H H 8.409 0.030 1 976 93 93 ASP HA H 4.929 0.030 1 977 93 93 ASP HB2 H 2.443 0.030 2 978 93 93 ASP HB3 H 2.872 0.030 2 979 93 93 ASP C C 178.143 0.300 1 980 93 93 ASP CA C 52.851 0.300 1 981 93 93 ASP CB C 42.596 0.300 1 982 93 93 ASP N N 116.595 0.300 1 983 94 94 VAL H H 8.433 0.030 1 984 94 94 VAL HA H 3.791 0.030 1 985 94 94 VAL HB H 2.268 0.030 1 986 94 94 VAL HG1 H 0.967 0.030 1 987 94 94 VAL HG2 H 0.676 0.030 1 988 94 94 VAL C C 175.281 0.300 1 989 94 94 VAL CA C 63.775 0.300 1 990 94 94 VAL CB C 31.748 0.300 1 991 94 94 VAL CG1 C 21.288 0.300 2 992 94 94 VAL CG2 C 17.671 0.300 2 993 94 94 VAL N N 121.448 0.300 1 994 95 95 HIS H H 9.008 0.030 1 995 95 95 HIS HA H 3.938 0.030 1 996 95 95 HIS HB2 H 0.635 0.030 2 997 95 95 HIS HB3 H 1.454 0.030 2 998 95 95 HIS HD2 H 7.019 0.030 1 999 95 95 HIS HE1 H 8.625 0.030 1 1000 95 95 HIS C C 176.299 0.300 1 1001 95 95 HIS CA C 58.155 0.300 1 1002 95 95 HIS CB C 25.772 0.300 1 1003 95 95 HIS CD2 C 121.108 0.300 1 1004 95 95 HIS CE1 C 134.658 0.300 1 1005 95 95 HIS N N 117.202 0.300 1 1006 96 96 THR H H 8.482 0.030 1 1007 96 96 THR HA H 5.160 0.030 1 1008 96 96 THR HB H 3.896 0.030 1 1009 96 96 THR HG2 H 1.344 0.030 1 1010 96 96 THR C C 172.201 0.300 1 1011 96 96 THR CA C 60.403 0.300 1 1012 96 96 THR CB C 71.965 0.300 1 1013 96 96 THR CG2 C 24.290 0.300 1 1014 96 96 THR N N 109.502 0.300 1 1015 97 97 PHE H H 8.744 0.030 1 1016 97 97 PHE HA H 5.292 0.030 1 1017 97 97 PHE HB2 H 3.196 0.030 2 1018 97 97 PHE HB3 H 2.440 0.030 2 1019 97 97 PHE HD1 H 6.962 0.030 1 1020 97 97 PHE HD2 H 6.962 0.030 1 1021 97 97 PHE HE1 H 6.998 0.030 1 1022 97 97 PHE HE2 H 6.998 0.030 1 1023 97 97 PHE HZ H 7.159 0.030 1 1024 97 97 PHE C C 172.493 0.300 1 1025 97 97 PHE CA C 54.793 0.300 1 1026 97 97 PHE CB C 44.704 0.300 1 1027 97 97 PHE CD1 C 131.708 0.300 1 1028 97 97 PHE CD2 C 131.708 0.300 1 1029 97 97 PHE CE1 C 130.638 0.300 1 1030 97 97 PHE CE2 C 130.638 0.300 1 1031 97 97 PHE CZ C 129.186 0.300 1 1032 97 97 PHE N N 121.421 0.300 1 1033 98 98 ALA H H 7.966 0.030 1 1034 98 98 ALA HA H 5.479 0.030 1 1035 98 98 ALA HB H 0.993 0.030 1 1036 98 98 ALA C C 174.206 0.300 1 1037 98 98 ALA CA C 49.901 0.300 1 1038 98 98 ALA CB C 25.242 0.300 1 1039 98 98 ALA N N 127.511 0.300 1 1040 99 99 PHE H H 8.031 0.030 1 1041 99 99 PHE HA H 5.461 0.030 1 1042 99 99 PHE HB2 H 3.370 0.030 2 1043 99 99 PHE HB3 H 2.725 0.030 2 1044 99 99 PHE HD1 H 7.037 0.030 1 1045 99 99 PHE HD2 H 7.037 0.030 1 1046 99 99 PHE HE1 H 7.155 0.030 1 1047 99 99 PHE HE2 H 7.155 0.030 1 1048 99 99 PHE HZ H 6.769 0.030 1 1049 99 99 PHE C C 172.437 0.300 1 1050 99 99 PHE CA C 54.959 0.300 1 1051 99 99 PHE CB C 43.327 0.300 1 1052 99 99 PHE CD1 C 132.073 0.300 1 1053 99 99 PHE CD2 C 132.073 0.300 1 1054 99 99 PHE CE1 C 130.858 0.300 1 1055 99 99 PHE CE2 C 130.858 0.300 1 1056 99 99 PHE CZ C 127.758 0.300 1 1057 99 99 PHE N N 111.349 0.300 1 1058 100 100 ILE H H 9.317 0.030 1 1059 100 100 ILE HA H 5.056 0.030 1 1060 100 100 ILE HB H 1.725 0.030 1 1061 100 100 ILE HD1 H 0.605 0.030 1 1062 100 100 ILE HG12 H 0.578 0.030 2 1063 100 100 ILE HG13 H 1.681 0.030 2 1064 100 100 ILE HG2 H 0.857 0.030 1 1065 100 100 ILE C C 174.014 0.300 1 1066 100 100 ILE CA C 60.684 0.300 1 1067 100 100 ILE CB C 39.877 0.300 1 1068 100 100 ILE CD1 C 12.938 0.300 1 1069 100 100 ILE CG1 C 28.637 0.300 1 1070 100 100 ILE CG2 C 18.841 0.300 1 1071 100 100 ILE N N 121.221 0.300 1 1072 101 101 MET H H 9.529 0.030 1 1073 101 101 MET HA H 5.784 0.030 1 1074 101 101 MET HB2 H 2.365 0.030 2 1075 101 101 MET HB3 H 2.325 0.030 2 1076 101 101 MET HE H 2.212 0.030 1 1077 101 101 MET HG2 H 2.698 0.030 1 1078 101 101 MET HG3 H 2.698 0.030 1 1079 101 101 MET C C 174.022 0.300 1 1080 101 101 MET CA C 53.168 0.300 1 1081 101 101 MET CB C 38.064 0.300 1 1082 101 101 MET CE C 17.672 0.300 1 1083 101 101 MET CG C 31.773 0.300 1 1084 101 101 MET N N 123.910 0.300 1 1085 102 102 ASP H H 9.482 0.030 1 1086 102 102 ASP HA H 5.064 0.030 1 1087 102 102 ASP HB2 H 3.628 0.030 2 1088 102 102 ASP HB3 H 2.988 0.030 2 1089 102 102 ASP C C 177.016 0.300 1 1090 102 102 ASP CA C 52.887 0.300 1 1091 102 102 ASP CB C 43.554 0.300 1 1092 102 102 ASP N N 124.670 0.300 1 1093 103 103 THR H H 8.548 0.030 1 1094 103 103 THR HA H 4.279 0.030 1 1095 103 103 THR HB H 4.499 0.030 1 1096 103 103 THR HG2 H 1.212 0.030 1 1097 103 103 THR C C 175.072 0.300 1 1098 103 103 THR CA C 62.054 0.300 1 1099 103 103 THR CB C 68.765 0.300 1 1100 103 103 THR CG2 C 22.073 0.300 1 1101 103 103 THR N N 116.366 0.300 1 1102 104 104 GLY H H 9.044 0.030 1 1103 104 104 GLY HA2 H 3.525 0.030 2 1104 104 104 GLY HA3 H 4.308 0.030 2 1105 104 104 GLY C C 173.942 0.300 1 1106 104 104 GLY CA C 44.843 0.300 1 1107 104 104 GLY N N 112.975 0.300 1 1108 105 105 ASN H H 8.731 0.030 1 1109 105 105 ASN HA H 4.465 0.030 1 1110 105 105 ASN HB2 H 2.563 0.030 2 1111 105 105 ASN HB3 H 2.842 0.030 2 1112 105 105 ASN HD21 H 7.475 0.030 2 1113 105 105 ASN HD22 H 6.845 0.030 2 1114 105 105 ASN C C 173.970 0.300 1 1115 105 105 ASN CA C 53.449 0.300 1 1116 105 105 ASN CB C 37.883 0.300 1 1117 105 105 ASN N N 118.321 0.300 1 1118 105 105 ASN ND2 N 112.857 0.300 1 1119 106 106 GLN H H 9.057 0.030 1 1120 106 106 GLN HA H 3.270 0.030 1 1121 106 106 GLN HB2 H 2.208 0.030 2 1122 106 106 GLN HB3 H 2.128 0.030 2 1123 106 106 GLN HE21 H 7.671 0.030 2 1124 106 106 GLN HE22 H 6.723 0.030 2 1125 106 106 GLN HG2 H 2.216 0.030 1 1126 106 106 GLN HG3 H 2.216 0.030 1 1127 106 106 GLN C C 173.870 0.300 1 1128 106 106 GLN CA C 57.016 0.300 1 1129 106 106 GLN CB C 25.852 0.300 1 1130 106 106 GLN CG C 35.076 0.300 1 1131 106 106 GLN N N 112.691 0.300 1 1132 106 106 GLN NE2 N 112.950 0.300 1 1133 107 107 ARG H H 6.815 0.030 1 1134 107 107 ARG HA H 4.278 0.030 1 1135 107 107 ARG HB2 H 1.678 0.030 2 1136 107 107 ARG HB3 H 1.630 0.030 2 1137 107 107 ARG HD2 H 3.112 0.030 1 1138 107 107 ARG HD3 H 3.112 0.030 1 1139 107 107 ARG HG2 H 1.377 0.030 2 1140 107 107 ARG HG3 H 1.530 0.030 2 1141 107 107 ARG C C 174.811 0.300 1 1142 107 107 ARG CA C 54.608 0.300 1 1143 107 107 ARG CB C 30.362 0.300 1 1144 107 107 ARG CD C 43.364 0.300 1 1145 107 107 ARG CG C 27.096 0.300 1 1146 107 107 ARG N N 117.777 0.300 1 1147 108 108 PHE H H 8.284 0.030 1 1148 108 108 PHE HA H 5.621 0.030 1 1149 108 108 PHE HB2 H 2.819 0.030 2 1150 108 108 PHE HB3 H 2.669 0.030 2 1151 108 108 PHE HD1 H 6.898 0.030 1 1152 108 108 PHE HD2 H 6.898 0.030 1 1153 108 108 PHE HE1 H 7.289 0.030 1 1154 108 108 PHE HE2 H 7.289 0.030 1 1155 108 108 PHE HZ H 7.270 0.030 1 1156 108 108 PHE C C 176.268 0.300 1 1157 108 108 PHE CA C 56.434 0.300 1 1158 108 108 PHE CB C 41.270 0.300 1 1159 108 108 PHE CD1 C 131.266 0.300 1 1160 108 108 PHE CD2 C 131.266 0.300 1 1161 108 108 PHE CE1 C 131.014 0.300 1 1162 108 108 PHE CE2 C 131.014 0.300 1 1163 108 108 PHE CZ C 129.338 0.300 1 1164 108 108 PHE N N 122.876 0.300 1 1165 109 109 GLU H H 9.268 0.030 1 1166 109 109 GLU HA H 4.611 0.030 1 1167 109 109 GLU HB2 H 1.920 0.030 2 1168 109 109 GLU HB3 H 1.662 0.030 2 1169 109 109 GLU HG2 H 2.239 0.030 2 1170 109 109 GLU HG3 H 2.285 0.030 2 1171 109 109 GLU C C 174.199 0.300 1 1172 109 109 GLU CA C 54.994 0.300 1 1173 109 109 GLU CB C 34.154 0.300 1 1174 109 109 GLU CG C 36.212 0.300 1 1175 109 109 GLU N N 121.103 0.300 1 1176 110 110 CYS H H 8.935 0.030 1 1177 110 110 CYS HA H 5.432 0.030 1 1178 110 110 CYS HB2 H 2.611 0.030 2 1179 110 110 CYS HB3 H 2.407 0.030 2 1180 110 110 CYS C C 172.638 0.300 1 1181 110 110 CYS CA C 56.504 0.300 1 1182 110 110 CYS CB C 29.214 0.300 1 1183 110 110 CYS N N 124.146 0.300 1 1184 111 111 HIS H H 8.432 0.030 1 1185 111 111 HIS HA H 4.705 0.030 1 1186 111 111 HIS HB2 H 2.601 0.030 2 1187 111 111 HIS HB3 H 1.723 0.030 2 1188 111 111 HIS HD2 H 6.495 0.030 1 1189 111 111 HIS HE1 H 7.703 0.030 1 1190 111 111 HIS C C 174.268 0.300 1 1191 111 111 HIS CA C 55.591 0.300 1 1192 111 111 HIS CB C 34.075 0.300 1 1193 111 111 HIS CD2 C 116.358 0.300 1 1194 111 111 HIS CE1 C 138.972 0.300 1 1195 111 111 HIS N N 128.890 0.300 1 1196 112 112 VAL H H 7.578 0.030 1 1197 112 112 VAL HA H 4.575 0.030 1 1198 112 112 VAL HB H 1.414 0.030 1 1199 112 112 VAL HG1 H 0.847 0.030 1 1200 112 112 VAL HG2 H 0.596 0.030 1 1201 112 112 VAL C C 173.476 0.300 1 1202 112 112 VAL CA C 61.527 0.300 1 1203 112 112 VAL CB C 33.545 0.300 1 1204 112 112 VAL CG1 C 23.963 0.300 2 1205 112 112 VAL CG2 C 22.566 0.300 2 1206 112 112 VAL N N 119.870 0.300 1 1207 113 113 PHE H H 9.502 0.030 1 1208 113 113 PHE HA H 5.440 0.030 1 1209 113 113 PHE HB2 H 3.201 0.030 2 1210 113 113 PHE HB3 H 2.772 0.030 2 1211 113 113 PHE HD1 H 7.244 0.030 1 1212 113 113 PHE HD2 H 7.244 0.030 1 1213 113 113 PHE HE1 H 6.895 0.030 1 1214 113 113 PHE HE2 H 6.895 0.030 1 1215 113 113 PHE HZ H 6.775 0.030 1 1216 113 113 PHE C C 173.366 0.300 1 1217 113 113 PHE CA C 56.891 0.300 1 1218 113 113 PHE CB C 43.199 0.300 1 1219 113 113 PHE CD1 C 132.358 0.300 1 1220 113 113 PHE CD2 C 132.358 0.300 1 1221 113 113 PHE CE1 C 131.528 0.300 1 1222 113 113 PHE CE2 C 131.528 0.300 1 1223 113 113 PHE CZ C 128.028 0.300 1 1224 113 113 PHE N N 124.061 0.300 1 1225 114 114 TRP H H 9.304 0.030 1 1226 114 114 TRP HA H 4.883 0.030 1 1227 114 114 TRP HB2 H 3.206 0.030 2 1228 114 114 TRP HB3 H 2.914 0.030 2 1229 114 114 TRP HD1 H 7.298 0.030 1 1230 114 114 TRP HE1 H 10.657 0.030 1 1231 114 114 TRP HE3 H 7.235 0.030 1 1232 114 114 TRP HH2 H 7.161 0.030 1 1233 114 114 TRP HZ2 H 6.553 0.030 1 1234 114 114 TRP HZ3 H 7.008 0.030 1 1235 114 114 TRP C C 176.131 0.300 1 1236 114 114 TRP CA C 56.961 0.300 1 1237 114 114 TRP CB C 31.274 0.300 1 1238 114 114 TRP CD1 C 127.258 0.300 1 1239 114 114 TRP CE3 C 120.458 0.300 1 1240 114 114 TRP CH2 C 124.608 0.300 1 1241 114 114 TRP CZ2 C 114.147 0.300 1 1242 114 114 TRP CZ3 C 121.418 0.300 1 1243 114 114 TRP N N 122.422 0.300 1 1244 114 114 TRP NE1 N 131.716 0.300 1 1245 115 115 CYS H H 9.320 0.030 1 1246 115 115 CYS HA H 4.835 0.030 1 1247 115 115 CYS HB2 H 2.810 0.030 2 1248 115 115 CYS HB3 H 2.381 0.030 2 1249 115 115 CYS C C 172.997 0.300 1 1250 115 115 CYS CA C 57.172 0.300 1 1251 115 115 CYS CB C 30.836 0.300 1 1252 115 115 CYS N N 129.665 0.300 1 1253 116 116 GLU H H 8.832 0.030 1 1254 116 116 GLU HA H 4.679 0.030 1 1255 116 116 GLU HB2 H 1.941 0.030 2 1256 116 116 GLU HB3 H 2.165 0.030 2 1257 116 116 GLU HG2 H 2.644 0.030 2 1258 116 116 GLU HG3 H 2.488 0.030 2 1259 116 116 GLU C C 176.649 0.300 1 1260 116 116 GLU CA C 53.203 0.300 1 1261 116 116 GLU CB C 30.959 0.300 1 1262 116 116 GLU CG C 35.017 0.300 1 1263 116 116 GLU N N 120.029 0.300 1 1264 117 117 PRO HA H 5.095 0.030 1 1265 117 117 PRO HB2 H 2.497 0.030 2 1266 117 117 PRO HB3 H 2.149 0.030 2 1267 117 117 PRO HD2 H 3.890 0.030 2 1268 117 117 PRO HD3 H 3.580 0.030 2 1269 117 117 PRO HG2 H 2.103 0.030 2 1270 117 117 PRO HG3 H 1.783 0.030 2 1271 117 117 PRO C C 175.339 0.300 1 1272 117 117 PRO CA C 64.211 0.300 1 1273 117 117 PRO CB C 33.664 0.300 1 1274 117 117 PRO CD C 49.841 0.300 1 1275 117 117 PRO CG C 24.712 0.300 1 1276 118 118 ASN H H 7.397 0.030 1 1277 118 118 ASN HA H 3.835 0.030 1 1278 118 118 ASN HB2 H 2.931 0.030 2 1279 118 118 ASN HB3 H 2.240 0.030 2 1280 118 118 ASN HD21 H 7.319 0.030 2 1281 118 118 ASN HD22 H 7.797 0.030 2 1282 118 118 ASN C C 174.423 0.300 1 1283 118 118 ASN CA C 52.612 0.300 1 1284 118 118 ASN CB C 38.514 0.300 1 1285 118 118 ASN N N 110.781 0.300 1 1286 118 118 ASN ND2 N 117.594 0.300 1 1287 119 119 ALA H H 8.557 0.030 1 1288 119 119 ALA HA H 4.188 0.030 1 1289 119 119 ALA HB H 1.272 0.030 1 1290 119 119 ALA C C 177.716 0.300 1 1291 119 119 ALA CA C 52.662 0.300 1 1292 119 119 ALA CB C 20.744 0.300 1 1293 119 119 ALA N N 116.004 0.300 1 1294 120 120 ALA H H 9.092 0.030 1 1295 120 120 ALA HA H 3.589 0.030 1 1296 120 120 ALA HB H 1.385 0.030 1 1297 120 120 ALA C C 177.642 0.300 1 1298 120 120 ALA CA C 57.566 0.300 1 1299 120 120 ALA CB C 18.209 0.300 1 1300 120 120 ALA N N 125.313 0.300 1 1301 121 121 ASN H H 8.492 0.030 1 1302 121 121 ASN HA H 4.258 0.030 1 1303 121 121 ASN HB2 H 2.748 0.030 2 1304 121 121 ASN HB3 H 2.869 0.030 2 1305 121 121 ASN HD21 H 7.671 0.030 2 1306 121 121 ASN HD22 H 7.000 0.030 2 1307 121 121 ASN C C 178.199 0.300 1 1308 121 121 ASN CA C 56.329 0.300 1 1309 121 121 ASN CB C 37.281 0.300 1 1310 121 121 ASN N N 116.599 0.300 1 1311 121 121 ASN ND2 N 111.281 0.300 1 1312 122 122 VAL H H 8.206 0.030 1 1313 122 122 VAL HA H 2.174 0.030 1 1314 122 122 VAL HB H 1.062 0.030 1 1315 122 122 VAL HG1 H -0.173 0.030 1 1316 122 122 VAL HG2 H 0.161 0.030 1 1317 122 122 VAL CA C 65.285 0.300 1 1318 122 122 VAL CB C 31.576 0.300 1 1319 122 122 VAL CG1 C 20.840 0.300 2 1320 122 122 VAL CG2 C 23.057 0.300 2 1321 122 122 VAL N N 122.029 0.300 1 1322 123 123 SER H H 7.306 0.030 1 1323 123 123 SER HA H 3.207 0.030 1 1324 123 123 SER HB2 H 3.655 0.030 2 1325 123 123 SER HB3 H 3.574 0.030 2 1326 123 123 SER CA C 61.267 0.300 1 1327 123 123 SER CB C 63.438 0.300 1 1328 123 123 SER N N 112.208 0.300 1 1329 124 124 GLU H H 7.976 0.030 1 1330 124 124 GLU HA H 3.625 0.030 1 1331 124 124 GLU HB2 H 1.749 0.030 2 1332 124 124 GLU HB3 H 1.472 0.030 2 1333 124 124 GLU HG2 H 1.824 0.030 2 1334 124 124 GLU HG3 H 1.671 0.030 2 1335 124 124 GLU C C 178.243 0.300 1 1336 124 124 GLU CA C 59.897 0.300 1 1337 124 124 GLU CB C 29.275 0.300 1 1338 124 124 GLU CG C 35.883 0.300 1 1339 124 124 GLU N N 122.778 0.300 1 1340 125 125 ALA H H 7.481 0.030 1 1341 125 125 ALA HA H 4.098 0.030 1 1342 125 125 ALA HB H 1.435 0.030 1 1343 125 125 ALA C C 180.675 0.300 1 1344 125 125 ALA CA C 54.924 0.300 1 1345 125 125 ALA CB C 18.925 0.300 1 1346 125 125 ALA N N 121.450 0.300 1 1347 126 126 VAL H H 8.106 0.030 1 1348 126 126 VAL HA H 3.328 0.030 1 1349 126 126 VAL HB H 1.871 0.030 1 1350 126 126 VAL HG1 H 0.730 0.030 1 1351 126 126 VAL HG2 H 0.747 0.030 1 1352 126 126 VAL C C 177.521 0.300 1 1353 126 126 VAL CA C 67.042 0.300 1 1354 126 126 VAL CB C 31.472 0.300 1 1355 126 126 VAL CG1 C 23.610 0.300 2 1356 126 126 VAL CG2 C 23.179 0.300 2 1357 126 126 VAL N N 119.458 0.300 1 1358 127 127 GLN H H 8.250 0.030 1 1359 127 127 GLN HA H 3.423 0.030 1 1360 127 127 GLN HB2 H 1.736 0.030 2 1361 127 127 GLN HB3 H 1.939 0.030 2 1362 127 127 GLN HE21 H 5.944 0.030 2 1363 127 127 GLN HE22 H 6.468 0.030 2 1364 127 127 GLN HG2 H 1.563 0.030 2 1365 127 127 GLN HG3 H 0.912 0.030 2 1366 127 127 GLN C C 178.479 0.300 1 1367 127 127 GLN CA C 60.377 0.300 1 1368 127 127 GLN CB C 28.548 0.300 1 1369 127 127 GLN CG C 32.841 0.300 1 1370 127 127 GLN N N 121.158 0.300 1 1371 127 127 GLN NE2 N 108.500 0.300 1 1372 128 128 ALA H H 8.127 0.030 1 1373 128 128 ALA HA H 4.012 0.030 1 1374 128 128 ALA HB H 1.382 0.030 1 1375 128 128 ALA C C 180.411 0.300 1 1376 128 128 ALA CA C 54.713 0.300 1 1377 128 128 ALA CB C 17.806 0.300 1 1378 128 128 ALA N N 121.207 0.300 1 1379 129 129 ALA H H 7.575 0.030 1 1380 129 129 ALA HA H 4.159 0.030 1 1381 129 129 ALA HB H 1.353 0.030 1 1382 129 129 ALA C C 179.017 0.300 1 1383 129 129 ALA CA C 54.243 0.300 1 1384 129 129 ALA CB C 17.689 0.300 1 1385 129 129 ALA N N 121.091 0.300 1 1386 130 130 CYS H H 7.498 0.030 1 1387 130 130 CYS HA H 4.113 0.030 1 1388 130 130 CYS HB2 H 3.338 0.030 2 1389 130 130 CYS HB3 H 3.181 0.030 2 1390 130 130 CYS C C 175.080 0.300 1 1391 130 130 CYS CA C 61.949 0.300 1 1392 130 130 CYS CB C 28.640 0.300 1 1393 130 130 CYS N N 114.212 0.300 1 1394 131 131 SER H H 7.889 0.030 1 1395 131 131 SER HA H 4.359 0.030 1 1396 131 131 SER HB2 H 3.936 0.030 1 1397 131 131 SER HB3 H 3.936 0.030 1 1398 131 131 SER C C 175.272 0.300 1 1399 131 131 SER CA C 59.525 0.300 1 1400 131 131 SER CB C 64.162 0.300 1 1401 131 131 SER N N 112.024 0.300 1 1402 132 132 GLY H H 8.012 0.030 1 1403 132 132 GLY HA2 H 4.134 0.030 2 1404 132 132 GLY HA3 H 4.086 0.030 2 1405 132 132 GLY C C 172.119 0.300 1 1406 132 132 GLY CA C 45.089 0.300 1 1407 132 132 GLY N N 109.892 0.300 1 1408 133 133 PRO HA H 4.427 0.030 1 1409 133 133 PRO HB2 H 1.939 0.030 2 1410 133 133 PRO HB3 H 2.270 0.030 2 1411 133 133 PRO HD2 H 3.606 0.030 1 1412 133 133 PRO HD3 H 3.606 0.030 1 1413 133 133 PRO HG2 H 1.993 0.030 1 1414 133 133 PRO HG3 H 1.993 0.030 1 1415 133 133 PRO C C 177.554 0.300 1 1416 133 133 PRO CA C 63.529 0.300 1 1417 133 133 PRO CB C 32.102 0.300 1 1418 133 133 PRO CD C 49.728 0.300 1 1419 133 133 PRO CG C 27.663 0.300 1 1420 134 134 SER H H 8.484 0.030 1 1421 134 134 SER HA H 4.457 0.030 1 1422 134 134 SER HB2 H 3.901 0.030 2 1423 134 134 SER HB3 H 3.855 0.030 2 1424 134 134 SER C C 174.847 0.300 1 1425 134 134 SER CA C 58.558 0.300 1 1426 134 134 SER CB C 63.873 0.300 1 1427 134 134 SER N N 116.049 0.300 1 1428 135 135 SER H H 8.347 0.030 1 1429 135 135 SER HA H 4.224 0.030 1 1430 135 135 SER HB2 H 3.917 0.030 2 1431 135 135 SER C C 175.050 0.300 1 1432 135 135 SER CA C 58.752 0.300 1 1433 135 135 SER N N 117.720 0.300 1 1434 136 136 GLY HA2 H 3.962 0.030 1 1435 136 136 GLY HA3 H 3.962 0.030 1 1436 136 136 GLY C C 174.316 0.300 1 1437 136 136 GLY CA C 45.408 0.300 1 1438 137 137 ILE H H 7.957 0.030 1 1439 137 137 ILE HA H 4.120 0.030 1 1440 137 137 ILE HB H 1.825 0.030 1 1441 137 137 ILE HD1 H 0.807 0.030 1 1442 137 137 ILE HG12 H 1.377 0.030 2 1443 137 137 ILE HG13 H 1.111 0.030 2 1444 137 137 ILE HG2 H 0.852 0.030 1 1445 137 137 ILE C C 176.520 0.300 1 1446 137 137 ILE CA C 61.387 0.300 1 1447 137 137 ILE CB C 38.770 0.300 1 1448 137 137 ILE CD1 C 13.205 0.300 1 1449 137 137 ILE CG1 C 27.294 0.300 1 1450 137 137 ILE CG2 C 17.551 0.300 1 1451 137 137 ILE N N 119.617 0.300 1 1452 138 138 GLU H H 8.586 0.030 1 1453 138 138 GLU HA H 4.229 0.030 1 1454 138 138 GLU HB2 H 1.943 0.030 2 1455 138 138 GLU HB3 H 2.022 0.030 2 1456 138 138 GLU HG2 H 2.257 0.030 1 1457 138 138 GLU HG3 H 2.257 0.030 1 1458 138 138 GLU C C 177.090 0.300 1 1459 138 138 GLU CA C 57.024 0.300 1 1460 138 138 GLU CB C 30.047 0.300 1 1461 138 138 GLU CG C 36.212 0.300 1 1462 138 138 GLU N N 124.545 0.300 1 1463 139 139 GLY H H 8.401 0.030 1 1464 139 139 GLY HA2 H 3.940 0.030 1 1465 139 139 GLY HA3 H 3.940 0.030 1 1466 139 139 GLY C C 174.458 0.300 1 1467 139 139 GLY CA C 45.405 0.300 1 1468 139 139 GLY N N 109.931 0.300 1 1469 140 140 ARG H H 8.196 0.030 1 1470 140 140 ARG HA H 4.335 0.030 1 1471 140 140 ARG HB2 H 1.761 0.030 2 1472 140 140 ARG HB3 H 1.862 0.030 2 1473 140 140 ARG HD2 H 3.168 0.030 2 1474 140 140 ARG HG2 H 1.625 0.030 2 1475 140 140 ARG HG3 H 1.594 0.030 2 1476 140 140 ARG C C 177.032 0.300 1 1477 140 140 ARG CA C 56.294 0.300 1 1478 140 140 ARG CB C 30.622 0.300 1 1479 140 140 ARG CD C 43.282 0.300 1 1480 140 140 ARG CG C 27.005 0.300 1 1481 140 140 ARG N N 120.470 0.300 1 1482 141 141 GLY H H 8.506 0.030 1 1483 141 141 GLY HA2 H 3.959 0.030 1 1484 141 141 GLY HA3 H 3.959 0.030 1 1485 141 141 GLY C C 174.323 0.300 1 1486 141 141 GLY CA C 45.370 0.300 1 1487 141 141 GLY N N 109.975 0.300 1 1488 153 153 GLY HA2 H 3.957 0.030 1 1489 153 153 GLY HA3 H 3.957 0.030 1 1490 153 153 GLY C C 174.088 0.300 1 1491 153 153 GLY CA C 45.440 0.300 1 1492 154 154 ASP H H 8.157 0.030 1 1493 154 154 ASP HA H 4.558 0.030 1 1494 154 154 ASP HB2 H 2.693 0.030 2 1495 154 154 ASP HB3 H 2.604 0.030 2 1496 154 154 ASP C C 176.245 0.300 1 1497 154 154 ASP CA C 54.467 0.300 1 1498 154 154 ASP CB C 41.246 0.300 1 1499 154 154 ASP N N 120.751 0.300 1 1500 155 155 ALA H H 8.204 0.030 1 1501 155 155 ALA HA H 4.255 0.030 1 1502 155 155 ALA HB H 1.371 0.030 1 1503 155 155 ALA C C 177.477 0.300 1 1504 155 155 ALA CA C 52.641 0.300 1 1505 155 155 ALA CB C 19.177 0.300 1 1506 155 155 ALA N N 124.090 0.300 1 1507 156 156 ALA H H 8.223 0.030 1 1508 156 156 ALA HA H 4.291 0.030 1 1509 156 156 ALA HB H 1.370 0.030 1 1510 156 156 ALA C C 177.507 0.300 1 1511 156 156 ALA CA C 52.570 0.300 1 1512 156 156 ALA CB C 19.175 0.300 1 1513 156 156 ALA N N 122.396 0.300 1 1514 157 157 VAL H H 7.793 0.030 1 1515 157 157 VAL HA H 4.289 0.030 1 1516 157 157 VAL HB H 2.079 0.030 1 1517 157 157 VAL HG1 H 0.937 0.030 1 1518 157 157 VAL HG2 H 0.908 0.030 1 1519 157 157 VAL C C 176.397 0.300 1 1520 157 157 VAL CA C 61.633 0.300 1 1521 157 157 VAL CB C 33.359 0.300 1 1522 157 157 VAL CG1 C 21.515 0.300 2 1523 157 157 VAL CG2 C 20.378 0.300 2 1524 157 157 VAL N N 118.466 0.300 1 1525 158 158 THR H H 8.471 0.030 1 1526 158 158 THR HA H 4.630 0.030 1 1527 158 158 THR HB H 4.614 0.030 1 1528 158 158 THR HG2 H 1.335 0.030 1 1529 158 158 THR C C 173.524 0.300 1 1530 158 158 THR CA C 60.333 0.300 1 1531 158 158 THR CB C 68.917 0.300 1 1532 158 158 THR CG2 C 22.058 0.300 1 1533 158 158 THR N N 117.504 0.300 1 1534 159 159 PRO HA H 4.190 0.030 1 1535 159 159 PRO HB2 H 1.935 0.030 2 1536 159 159 PRO HB3 H 2.345 0.030 2 1537 159 159 PRO HD2 H 3.892 0.030 1 1538 159 159 PRO HD3 H 3.892 0.030 1 1539 159 159 PRO HG2 H 1.996 0.030 2 1540 159 159 PRO HG3 H 2.181 0.030 2 1541 159 159 PRO C C 179.264 0.300 1 1542 159 159 PRO CA C 65.469 0.300 1 1543 159 159 PRO CB C 31.789 0.300 1 1544 159 159 PRO CD C 50.475 0.300 1 1545 159 159 PRO CG C 28.055 0.300 1 1546 160 160 GLU H H 8.580 0.030 1 1547 160 160 GLU HA H 4.014 0.030 1 1548 160 160 GLU HB2 H 2.086 0.030 2 1549 160 160 GLU HB3 H 1.817 0.030 2 1550 160 160 GLU HG2 H 2.100 0.030 1 1551 160 160 GLU HG3 H 2.100 0.030 1 1552 160 160 GLU C C 177.963 0.300 1 1553 160 160 GLU CA C 60.052 0.300 1 1554 160 160 GLU CB C 29.964 0.300 1 1555 160 160 GLU CG C 37.243 0.300 1 1556 160 160 GLU N N 119.122 0.300 1 1557 161 161 GLU H H 7.849 0.030 1 1558 161 161 GLU HA H 3.912 0.030 1 1559 161 161 GLU HB2 H 2.221 0.030 2 1560 161 161 GLU HB3 H 1.986 0.030 2 1561 161 161 GLU HG2 H 2.225 0.030 2 1562 161 161 GLU HG3 H 2.310 0.030 2 1563 161 161 GLU C C 179.544 0.300 1 1564 161 161 GLU CA C 59.174 0.300 1 1565 161 161 GLU CB C 29.856 0.300 1 1566 161 161 GLU CG C 37.034 0.300 1 1567 161 161 GLU N N 119.564 0.300 1 1568 162 162 ARG H H 8.326 0.030 1 1569 162 162 ARG HA H 4.009 0.030 1 1570 162 162 ARG HB2 H 1.860 0.030 1 1571 162 162 ARG HB3 H 1.860 0.030 1 1572 162 162 ARG HD2 H 3.209 0.030 2 1573 162 162 ARG HD3 H 3.163 0.030 2 1574 162 162 ARG HG2 H 1.590 0.030 2 1575 162 162 ARG HG3 H 1.696 0.030 2 1576 162 162 ARG C C 178.561 0.300 1 1577 162 162 ARG CA C 59.139 0.300 1 1578 162 162 ARG CB C 30.211 0.300 1 1579 162 162 ARG CD C 43.364 0.300 1 1580 162 162 ARG CG C 27.758 0.300 1 1581 162 162 ARG N N 120.733 0.300 1 1582 163 163 HIS H H 8.200 0.030 1 1583 163 163 HIS HA H 4.242 0.030 1 1584 163 163 HIS HB2 H 3.099 0.030 1 1585 163 163 HIS HB3 H 3.099 0.030 1 1586 163 163 HIS HD2 H 6.397 0.030 1 1587 163 163 HIS HE1 H 7.404 0.030 1 1588 163 163 HIS C C 177.342 0.300 1 1589 163 163 HIS CA C 60.122 0.300 1 1590 163 163 HIS CB C 30.649 0.300 1 1591 163 163 HIS CD2 C 117.325 0.300 1 1592 163 163 HIS CE1 C 137.558 0.300 1 1593 163 163 HIS N N 119.997 0.300 1 1594 164 164 LEU H H 8.452 0.030 1 1595 164 164 LEU HA H 3.559 0.030 1 1596 164 164 LEU HB2 H 1.839 0.030 2 1597 164 164 LEU HB3 H 1.296 0.030 2 1598 164 164 LEU HD1 H 0.730 0.030 1 1599 164 164 LEU HD2 H 0.690 0.030 1 1600 164 164 LEU HG H 1.661 0.030 1 1601 164 164 LEU C C 178.021 0.300 1 1602 164 164 LEU CA C 58.296 0.300 1 1603 164 164 LEU CB C 42.206 0.300 1 1604 164 164 LEU CD1 C 25.021 0.300 2 1605 164 164 LEU CD2 C 23.328 0.300 2 1606 164 164 LEU CG C 26.988 0.300 1 1607 164 164 LEU N N 118.600 0.300 1 1608 165 165 SER H H 8.081 0.030 1 1609 165 165 SER HA H 4.313 0.030 1 1610 165 165 SER HB2 H 3.954 0.030 1 1611 165 165 SER HB3 H 3.954 0.030 1 1612 165 165 SER C C 177.288 0.300 1 1613 165 165 SER CA C 61.843 0.300 1 1614 165 165 SER CB C 62.635 0.300 1 1615 165 165 SER N N 112.267 0.300 1 1616 166 166 LYS H H 7.717 0.030 1 1617 166 166 LYS HA H 4.162 0.030 1 1618 166 166 LYS HB2 H 1.939 0.030 2 1619 166 166 LYS HB3 H 1.972 0.030 2 1620 166 166 LYS HD2 H 1.720 0.030 1 1621 166 166 LYS HD3 H 1.720 0.030 1 1622 166 166 LYS HE2 H 2.981 0.030 1 1623 166 166 LYS HE3 H 2.981 0.030 1 1624 166 166 LYS HG2 H 1.482 0.030 2 1625 166 166 LYS HG3 H 1.637 0.030 2 1626 166 166 LYS C C 179.891 0.300 1 1627 166 166 LYS CA C 59.911 0.300 1 1628 166 166 LYS CB C 31.937 0.300 1 1629 166 166 LYS CD C 29.060 0.300 1 1630 166 166 LYS CE C 42.048 0.300 1 1631 166 166 LYS CG C 25.121 0.300 1 1632 166 166 LYS N N 121.985 0.300 1 1633 167 167 MET H H 8.161 0.030 1 1634 167 167 MET HA H 4.100 0.030 1 1635 167 167 MET HB2 H 1.606 0.030 2 1636 167 167 MET HB3 H 2.148 0.030 2 1637 167 167 MET HE H 1.843 0.030 1 1638 167 167 MET HG2 H 2.254 0.030 2 1639 167 167 MET HG3 H 1.905 0.030 2 1640 167 167 MET C C 177.507 0.300 1 1641 167 167 MET CA C 57.172 0.300 1 1642 167 167 MET CB C 34.256 0.300 1 1643 167 167 MET CE C 19.349 0.300 1 1644 167 167 MET CG C 33.558 0.300 1 1645 167 167 MET N N 118.330 0.300 1 1646 168 168 GLN H H 8.107 0.030 1 1647 168 168 GLN HA H 4.857 0.030 1 1648 168 168 GLN HB2 H 2.202 0.030 2 1649 168 168 GLN HB3 H 1.807 0.030 2 1650 168 168 GLN HE21 H 8.237 0.030 2 1651 168 168 GLN HE22 H 6.164 0.030 2 1652 168 168 GLN HG2 H 2.162 0.030 2 1653 168 168 GLN HG3 H 2.338 0.030 2 1654 168 168 GLN C C 178.541 0.300 1 1655 168 168 GLN CA C 56.926 0.300 1 1656 168 168 GLN CB C 31.756 0.300 1 1657 168 168 GLN CG C 34.403 0.300 1 1658 168 168 GLN N N 115.879 0.300 1 1659 168 168 GLN NE2 N 114.378 0.300 1 1660 169 169 GLN H H 8.197 0.030 1 1661 169 169 GLN HA H 4.212 0.030 1 1662 169 169 GLN HB2 H 2.075 0.030 1 1663 169 169 GLN HB3 H 2.075 0.030 1 1664 169 169 GLN HE21 H 7.421 0.030 2 1665 169 169 GLN HE22 H 6.822 0.030 2 1666 169 169 GLN HG2 H 2.538 0.030 2 1667 169 169 GLN HG3 H 2.397 0.030 2 1668 169 169 GLN C C 176.691 0.300 1 1669 169 169 GLN CA C 58.085 0.300 1 1670 169 169 GLN CB C 29.635 0.300 1 1671 169 169 GLN CG C 34.075 0.300 1 1672 169 169 GLN N N 117.115 0.300 1 1673 169 169 GLN NE2 N 111.680 0.300 1 1674 170 170 ASN H H 8.281 0.030 1 1675 170 170 ASN HA H 5.023 0.030 1 1676 170 170 ASN HB2 H 2.982 0.030 2 1677 170 170 ASN HB3 H 2.799 0.030 2 1678 170 170 ASN HD21 H 7.033 0.030 2 1679 170 170 ASN HD22 H 7.621 0.030 2 1680 170 170 ASN C C 176.077 0.300 1 1681 170 170 ASN CA C 53.800 0.300 1 1682 170 170 ASN CB C 42.213 0.300 1 1683 170 170 ASN N N 113.635 0.300 1 1684 170 170 ASN ND2 N 112.617 0.300 1 1685 171 171 GLY H H 7.867 0.030 1 1686 171 171 GLY HA2 H 4.269 0.030 2 1687 171 171 GLY HA3 H 3.975 0.030 2 1688 171 171 GLY C C 172.124 0.300 1 1689 171 171 GLY CA C 47.158 0.300 1 1690 171 171 GLY N N 109.977 0.300 1 1691 172 172 TYR H H 8.002 0.030 1 1692 172 172 TYR HA H 4.651 0.030 1 1693 172 172 TYR HB2 H 2.678 0.030 2 1694 172 172 TYR HB3 H 2.419 0.030 2 1695 172 172 TYR HD1 H 6.983 0.030 1 1696 172 172 TYR HD2 H 6.983 0.030 1 1697 172 172 TYR HE1 H 6.752 0.030 1 1698 172 172 TYR HE2 H 6.752 0.030 1 1699 172 172 TYR C C 172.979 0.300 1 1700 172 172 TYR CA C 58.183 0.300 1 1701 172 172 TYR CB C 41.309 0.300 1 1702 172 172 TYR CD1 C 133.009 0.300 1 1703 172 172 TYR CD2 C 133.009 0.300 1 1704 172 172 TYR CE1 C 118.125 0.300 1 1705 172 172 TYR CE2 C 118.125 0.300 1 1706 172 172 TYR N N 120.874 0.300 1 1707 173 173 GLU H H 8.251 0.030 1 1708 173 173 GLU HA H 4.624 0.030 1 1709 173 173 GLU HB2 H 2.081 0.030 2 1710 173 173 GLU HB3 H 1.963 0.030 2 1711 173 173 GLU HG2 H 2.561 0.030 2 1712 173 173 GLU HG3 H 2.308 0.030 2 1713 173 173 GLU C C 174.407 0.300 1 1714 173 173 GLU CA C 54.783 0.300 1 1715 173 173 GLU CB C 30.481 0.300 1 1716 173 173 GLU CG C 36.705 0.300 1 1717 173 173 GLU N N 128.470 0.300 1 1718 174 174 ASN H H 7.077 0.030 1 1719 174 174 ASN HA H 4.451 0.030 1 1720 174 174 ASN HB2 H 2.602 0.030 2 1721 174 174 ASN HB3 H 3.363 0.030 2 1722 174 174 ASN HD21 H 9.484 0.030 2 1723 174 174 ASN HD22 H 6.045 0.030 2 1724 174 174 ASN C C 175.317 0.300 1 1725 174 174 ASN CA C 50.694 0.300 1 1726 174 174 ASN CB C 39.511 0.300 1 1727 174 174 ASN N N 121.971 0.300 1 1728 174 174 ASN ND2 N 116.522 0.300 1 1729 175 175 PRO HA H 3.828 0.030 1 1730 175 175 PRO HB2 H 1.888 0.030 2 1731 175 175 PRO HB3 H 2.072 0.030 2 1732 175 175 PRO HD2 H 4.117 0.030 1 1733 175 175 PRO HD3 H 4.117 0.030 1 1734 175 175 PRO HG2 H 1.990 0.030 2 1735 175 175 PRO HG3 H 2.030 0.030 2 1736 175 175 PRO C C 177.601 0.300 1 1737 175 175 PRO CA C 63.951 0.300 1 1738 175 175 PRO CB C 32.019 0.300 1 1739 175 175 PRO CD C 51.869 0.300 1 1740 175 175 PRO CG C 27.068 0.300 1 1741 176 176 THR H H 7.891 0.030 1 1742 176 176 THR HA H 4.188 0.030 1 1743 176 176 THR HB H 4.300 0.030 1 1744 176 176 THR HG2 H 1.223 0.030 1 1745 176 176 THR C C 174.314 0.300 1 1746 176 176 THR CA C 62.686 0.300 1 1747 176 176 THR CB C 69.179 0.300 1 1748 176 176 THR CG2 C 22.337 0.300 1 1749 176 176 THR N N 111.323 0.300 1 1750 177 177 TYR H H 6.990 0.030 1 1751 177 177 TYR HA H 4.503 0.030 1 1752 177 177 TYR HB2 H 3.352 0.030 2 1753 177 177 TYR HB3 H 3.007 0.030 2 1754 177 177 TYR HD1 H 7.274 0.030 1 1755 177 177 TYR HD2 H 7.274 0.030 1 1756 177 177 TYR HE1 H 6.959 0.030 1 1757 177 177 TYR HE2 H 6.959 0.030 1 1758 177 177 TYR C C 176.722 0.300 1 1759 177 177 TYR CA C 58.050 0.300 1 1760 177 177 TYR CB C 38.808 0.300 1 1761 177 177 TYR CD1 C 133.710 0.300 1 1762 177 177 TYR CD2 C 133.710 0.300 1 1763 177 177 TYR CE1 C 117.906 0.300 1 1764 177 177 TYR CE2 C 117.906 0.300 1 1765 177 177 TYR N N 123.190 0.300 1 1766 178 178 LYS H H 8.115 0.030 1 1767 178 178 LYS HA H 3.786 0.030 1 1768 178 178 LYS HB2 H 1.356 0.030 2 1769 178 178 LYS HB3 H 1.247 0.030 2 1770 178 178 LYS HD2 H 1.425 0.030 1 1771 178 178 LYS HD3 H 1.425 0.030 1 1772 178 178 LYS HE2 H 2.797 0.030 1 1773 178 178 LYS HE3 H 2.797 0.030 1 1774 178 178 LYS HG2 H 0.759 0.030 2 1775 178 178 LYS HG3 H 0.952 0.030 2 1776 178 178 LYS CA C 57.516 0.300 1 1777 178 178 LYS CB C 32.870 0.300 1 1778 178 178 LYS CD C 29.325 0.300 1 1779 178 178 LYS CE C 41.964 0.300 1 1780 178 178 LYS CG C 24.202 0.300 1 1781 178 178 LYS N N 126.128 0.300 1 1782 179 179 PHE H H 6.395 0.030 1 1783 179 179 PHE HA H 4.531 0.030 1 1784 179 179 PHE HB2 H 3.153 0.030 2 1785 179 179 PHE HB3 H 2.778 0.030 2 1786 179 179 PHE HD1 H 7.084 0.030 1 1787 179 179 PHE HD2 H 7.084 0.030 1 1788 179 179 PHE HE1 H 7.302 0.030 1 1789 179 179 PHE HE2 H 7.302 0.030 1 1790 179 179 PHE HZ H 6.906 0.030 1 1791 179 179 PHE C C 175.618 0.300 1 1792 179 179 PHE CA C 57.558 0.300 1 1793 179 179 PHE CB C 38.673 0.300 1 1794 179 179 PHE CD1 C 131.697 0.300 1 1795 179 179 PHE CD2 C 131.697 0.300 1 1796 179 179 PHE CE1 C 131.328 0.300 1 1797 179 179 PHE CE2 C 131.328 0.300 1 1798 179 179 PHE CZ C 129.718 0.300 1 1799 180 180 PHE H H 7.723 0.030 1 1800 180 180 PHE HA H 4.365 0.030 1 1801 180 180 PHE HB2 H 3.110 0.030 2 1802 180 180 PHE HB3 H 2.951 0.030 2 1803 180 180 PHE HD1 H 7.233 0.030 1 1804 180 180 PHE HD2 H 7.233 0.030 1 1805 180 180 PHE HE1 H 7.285 0.030 1 1806 180 180 PHE HE2 H 7.285 0.030 1 1807 180 180 PHE HZ H 7.271 0.030 1 1808 180 180 PHE C C 176.072 0.300 1 1809 180 180 PHE CA C 59.244 0.300 1 1810 180 180 PHE CB C 39.693 0.300 1 1811 180 180 PHE CD1 C 132.208 0.300 1 1812 180 180 PHE CD2 C 132.208 0.300 1 1813 180 180 PHE CE1 C 131.208 0.300 1 1814 180 180 PHE CE2 C 131.208 0.300 1 1815 180 180 PHE CZ C 129.651 0.300 1 1816 180 180 PHE N N 121.174 0.300 1 1817 181 181 GLU H H 8.203 0.030 1 1818 181 181 GLU HA H 4.033 0.030 1 1819 181 181 GLU HB2 H 1.778 0.030 2 1820 181 181 GLU HB3 H 1.950 0.030 2 1821 181 181 GLU HG2 H 2.031 0.030 2 1822 181 181 GLU HG3 H 1.957 0.030 2 1823 181 181 GLU C C 176.108 0.300 1 1824 181 181 GLU CA C 56.996 0.300 1 1825 181 181 GLU CB C 30.158 0.300 1 1826 181 181 GLU CG C 36.376 0.300 1 1827 181 181 GLU N N 122.687 0.300 1 1828 182 182 GLN H H 8.026 0.030 1 1829 182 182 GLN HA H 4.212 0.030 1 1830 182 182 GLN HB2 H 2.088 0.030 2 1831 182 182 GLN HB3 H 1.954 0.030 2 1832 182 182 GLN HE21 H 7.562 0.030 2 1833 182 182 GLN HE22 H 6.837 0.030 2 1834 182 182 GLN HG2 H 2.341 0.030 1 1835 182 182 GLN HG3 H 2.341 0.030 1 1836 182 182 GLN C C 176.065 0.300 1 1837 182 182 GLN CA C 56.048 0.300 1 1838 182 182 GLN CB C 29.436 0.300 1 1839 182 182 GLN CG C 33.910 0.300 1 1840 182 182 GLN N N 119.869 0.300 1 1841 182 182 GLN NE2 N 112.368 0.300 1 1842 183 183 MET H H 8.231 0.030 1 1843 183 183 MET HA H 4.406 0.030 1 1844 183 183 MET HB2 H 2.053 0.030 2 1845 183 183 MET HB3 H 1.989 0.030 2 1846 183 183 MET HE H 2.044 0.030 1 1847 183 183 MET HG2 H 2.565 0.030 2 1848 183 183 MET HG3 H 2.487 0.030 2 1849 183 183 MET C C 176.022 0.300 1 1850 183 183 MET CA C 55.661 0.300 1 1851 183 183 MET CB C 32.845 0.300 1 1852 183 183 MET CE C 17.167 0.300 1 1853 183 183 MET CG C 32.019 0.300 1 1854 183 183 MET N N 121.216 0.300 1 1855 184 184 GLN H H 8.303 0.030 1 1856 184 184 GLN HA H 4.316 0.030 1 1857 184 184 GLN HB2 H 1.944 0.030 2 1858 184 184 GLN HB3 H 2.099 0.030 2 1859 184 184 GLN HE21 H 7.505 0.030 2 1860 184 184 GLN HE22 H 6.807 0.030 2 1861 184 184 GLN HG2 H 2.306 0.030 1 1862 184 184 GLN HG3 H 2.306 0.030 1 1863 184 184 GLN C C 174.811 0.300 1 1864 184 184 GLN CA C 55.697 0.300 1 1865 184 184 GLN CB C 29.553 0.300 1 1866 184 184 GLN CG C 33.746 0.300 1 1867 184 184 GLN N N 121.612 0.300 1 1868 184 184 GLN NE2 N 113.001 0.300 1 1869 185 185 ASN H H 8.050 0.030 1 1870 185 185 ASN HA H 4.453 0.030 1 1871 185 185 ASN HB2 H 2.626 0.030 2 1872 185 185 ASN HB3 H 2.744 0.030 2 1873 185 185 ASN HD21 H 6.783 0.030 2 1874 185 185 ASN HD22 H 7.492 0.030 2 1875 185 185 ASN C C 179.459 0.300 1 1876 185 185 ASN CA C 54.783 0.300 1 1877 185 185 ASN CB C 40.404 0.300 1 1878 185 185 ASN N N 125.732 0.300 1 1879 185 185 ASN ND2 N 112.756 0.300 1 stop_ save_