data_11351 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the NEUZ (NHR) domain in Neuralized from Drosophila melanogaster ; _BMRB_accession_number 11351 _BMRB_flat_file_name bmr11351.str _Entry_type original _Submission_date 2010-09-07 _Accession_date 2010-09-07 _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 He F. . . 2 Muto Y. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Shirouzu M. . . 6 Tarada T. . . 7 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" 966 "13C chemical shifts" 733 "15N chemical shifts" 173 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-09-07 original author . stop_ _Original_release_date 2011-09-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and functional characterization of the NHR1 domain of the Drosophila neuralized E3 ligase in the notch signaling pathway. ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He F. . . 2 Saito K. . . 3 Kobayashi N. . . 4 Harada T. . . 5 Watanabe S. . . 6 Kigawa T. . . 7 Guntert P. . . 8 Ohara O. . . 9 Tanaka A. . . 10 Unzai S. . . 11 Muto Y. . . 12 Yokoyama S. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of Molecular Biology' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein neuralized' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NEUZ(NHR) domain' $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 'NEUZ(NHR) domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 168 _Mol_residue_sequence ; GSSGSSGPLQFHSVHGDNIR ISRDGTLARRFESFCRAITF SARPVRINERICVKFAEISN NWNGGIRFGFTSNDPVTLEG TLPKYACPDLTNRPGFWAKA LHEQYCEKDNILYYYVNGAG DVIYGINNEEKGVILTGIDT RSLLWTVIDIYGNCTGIEFL DSRIYMYQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 LEU 10 GLN 11 PHE 12 HIS 13 SER 14 VAL 15 HIS 16 GLY 17 ASP 18 ASN 19 ILE 20 ARG 21 ILE 22 SER 23 ARG 24 ASP 25 GLY 26 THR 27 LEU 28 ALA 29 ARG 30 ARG 31 PHE 32 GLU 33 SER 34 PHE 35 CYS 36 ARG 37 ALA 38 ILE 39 THR 40 PHE 41 SER 42 ALA 43 ARG 44 PRO 45 VAL 46 ARG 47 ILE 48 ASN 49 GLU 50 ARG 51 ILE 52 CYS 53 VAL 54 LYS 55 PHE 56 ALA 57 GLU 58 ILE 59 SER 60 ASN 61 ASN 62 TRP 63 ASN 64 GLY 65 GLY 66 ILE 67 ARG 68 PHE 69 GLY 70 PHE 71 THR 72 SER 73 ASN 74 ASP 75 PRO 76 VAL 77 THR 78 LEU 79 GLU 80 GLY 81 THR 82 LEU 83 PRO 84 LYS 85 TYR 86 ALA 87 CYS 88 PRO 89 ASP 90 LEU 91 THR 92 ASN 93 ARG 94 PRO 95 GLY 96 PHE 97 TRP 98 ALA 99 LYS 100 ALA 101 LEU 102 HIS 103 GLU 104 GLN 105 TYR 106 CYS 107 GLU 108 LYS 109 ASP 110 ASN 111 ILE 112 LEU 113 TYR 114 TYR 115 TYR 116 VAL 117 ASN 118 GLY 119 ALA 120 GLY 121 ASP 122 VAL 123 ILE 124 TYR 125 GLY 126 ILE 127 ASN 128 ASN 129 GLU 130 GLU 131 LYS 132 GLY 133 VAL 134 ILE 135 LEU 136 THR 137 GLY 138 ILE 139 ASP 140 THR 141 ARG 142 SER 143 LEU 144 LEU 145 TRP 146 THR 147 VAL 148 ILE 149 ASP 150 ILE 151 TYR 152 GLY 153 ASN 154 CYS 155 THR 156 GLY 157 ILE 158 GLU 159 PHE 160 LEU 161 ASP 162 SER 163 ARG 164 ILE 165 TYR 166 MET 167 TYR 168 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-02-23 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 PDB 2YUE "Solution Structure Of The Neuz (Nhr) Domain In Neuralized From Drosophila Melanogaster" 100.00 168 100.00 100.00 1.21e-120 PDB 4KG0 "Crystal Structure Of The Drosophila Melanogaster Neuralized-nhr1 Domain" 92.26 169 100.00 100.00 6.30e-111 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 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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_1 'cell free synthesis' 'E. coli' Escherichia coli . P061002-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.0mM 13C, 15N-labeled {protein;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _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_Kujira _Saveframe_category software _Name Kujira _Version 0.9820 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _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 298 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 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_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $Kujira $CYANA stop_ 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 'NEUZ(NHR) domain' _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 6 6 SER HA H 4.497 0.030 1 2 6 6 SER HB2 H 3.814 0.030 1 3 6 6 SER HB3 H 3.814 0.030 1 4 6 6 SER CA C 58.181 0.300 1 5 6 6 SER CB C 64.043 0.300 1 6 7 7 GLY H H 8.220 0.030 1 7 7 7 GLY HA2 H 4.178 0.030 2 8 7 7 GLY HA3 H 4.034 0.030 2 9 7 7 GLY CA C 44.515 0.300 1 10 7 7 GLY N N 110.092 0.300 1 11 8 8 PRO HA H 4.315 0.030 1 12 8 8 PRO HB2 H 2.138 0.030 2 13 8 8 PRO HB3 H 1.913 0.030 2 14 8 8 PRO HD2 H 3.611 0.030 2 15 8 8 PRO HD3 H 3.584 0.030 2 16 8 8 PRO HG2 H 1.996 0.030 1 17 8 8 PRO HG3 H 1.996 0.030 1 18 8 8 PRO C C 176.847 0.300 1 19 8 8 PRO CA C 62.913 0.300 1 20 8 8 PRO CB C 32.127 0.300 1 21 8 8 PRO CD C 49.817 0.300 1 22 8 8 PRO CG C 27.366 0.300 1 23 9 9 LEU H H 7.829 0.030 1 24 9 9 LEU HA H 3.849 0.030 1 25 9 9 LEU HB2 H 0.752 0.030 2 26 9 9 LEU HB3 H 0.472 0.030 2 27 9 9 LEU HD1 H 0.647 0.030 1 28 9 9 LEU HD2 H 0.390 0.030 1 29 9 9 LEU HG H 1.044 0.030 1 30 9 9 LEU C C 173.384 0.300 1 31 9 9 LEU CA C 55.694 0.300 1 32 9 9 LEU CB C 41.973 0.300 1 33 9 9 LEU CD1 C 25.177 0.300 2 34 9 9 LEU CD2 C 25.130 0.300 2 35 9 9 LEU CG C 27.119 0.300 1 36 9 9 LEU N N 124.373 0.300 1 37 10 10 GLN H H 6.767 0.030 1 38 10 10 GLN HA H 4.820 0.030 1 39 10 10 GLN HB2 H 1.709 0.030 2 40 10 10 GLN HB3 H 2.243 0.030 2 41 10 10 GLN HE21 H 7.545 0.030 2 42 10 10 GLN HE22 H 6.796 0.030 2 43 10 10 GLN HG2 H 2.301 0.030 2 44 10 10 GLN HG3 H 2.173 0.030 2 45 10 10 GLN C C 175.901 0.300 1 46 10 10 GLN CA C 53.046 0.300 1 47 10 10 GLN CB C 34.151 0.300 1 48 10 10 GLN CG C 34.135 0.300 1 49 10 10 GLN N N 115.145 0.300 1 50 10 10 GLN NE2 N 113.104 0.300 1 51 11 11 PHE H H 9.281 0.030 1 52 11 11 PHE HA H 5.112 0.030 1 53 11 11 PHE HB2 H 3.190 0.030 2 54 11 11 PHE HB3 H 2.795 0.030 2 55 11 11 PHE HD1 H 7.225 0.030 1 56 11 11 PHE HD2 H 7.225 0.030 1 57 11 11 PHE HE1 H 6.035 0.030 1 58 11 11 PHE HE2 H 6.035 0.030 1 59 11 11 PHE HZ H 6.966 0.030 1 60 11 11 PHE C C 176.201 0.300 1 61 11 11 PHE CA C 59.510 0.300 1 62 11 11 PHE CB C 42.182 0.300 1 63 11 11 PHE CD1 C 131.288 0.300 1 64 11 11 PHE CD2 C 131.288 0.300 1 65 11 11 PHE CE1 C 129.308 0.300 1 66 11 11 PHE CE2 C 129.308 0.300 1 67 11 11 PHE CZ C 129.216 0.300 1 68 11 11 PHE N N 120.042 0.300 1 69 12 12 HIS H H 9.352 0.030 1 70 12 12 HIS HA H 4.047 0.030 1 71 12 12 HIS HB2 H 3.482 0.030 2 72 12 12 HIS HB3 H 2.992 0.030 2 73 12 12 HIS HD2 H 7.517 0.030 1 74 12 12 HIS HE1 H 7.450 0.030 1 75 12 12 HIS C C 175.064 0.300 1 76 12 12 HIS CA C 58.171 0.300 1 77 12 12 HIS CB C 31.639 0.300 1 78 12 12 HIS CD2 C 117.550 0.300 1 79 12 12 HIS CE1 C 136.874 0.300 1 80 12 12 HIS N N 124.139 0.300 1 81 13 13 SER H H 8.251 0.030 1 82 13 13 SER HA H 4.346 0.030 1 83 13 13 SER HB2 H 3.989 0.030 2 84 13 13 SER HB3 H 3.896 0.030 2 85 13 13 SER C C 175.515 0.300 1 86 13 13 SER CA C 61.345 0.300 1 87 13 13 SER CB C 63.111 0.300 1 88 13 13 SER N N 121.127 0.300 1 89 14 14 VAL H H 11.427 0.030 1 90 14 14 VAL HA H 3.884 0.030 1 91 14 14 VAL HB H 1.725 0.030 1 92 14 14 VAL HG1 H 0.897 0.030 1 93 14 14 VAL HG2 H 0.667 0.030 1 94 14 14 VAL C C 174.650 0.300 1 95 14 14 VAL CA C 64.032 0.300 1 96 14 14 VAL CB C 30.288 0.300 1 97 14 14 VAL CG1 C 21.717 0.300 2 98 14 14 VAL CG2 C 19.541 0.300 2 99 14 14 VAL N N 128.011 0.300 1 100 15 15 HIS H H 7.901 0.030 1 101 15 15 HIS HA H 4.954 0.030 1 102 15 15 HIS HB2 H 2.996 0.030 2 103 15 15 HIS HB3 H 4.196 0.030 2 104 15 15 HIS HD2 H 7.285 0.030 1 105 15 15 HIS HE1 H 8.514 0.030 1 106 15 15 HIS C C 175.256 0.300 1 107 15 15 HIS CA C 53.352 0.300 1 108 15 15 HIS CB C 32.100 0.300 1 109 15 15 HIS CD2 C 125.365 0.300 1 110 15 15 HIS CE1 C 138.950 0.300 1 111 15 15 HIS N N 120.545 0.300 1 112 16 16 GLY H H 9.841 0.030 1 113 16 16 GLY HA2 H 3.995 0.030 2 114 16 16 GLY HA3 H 3.673 0.030 2 115 16 16 GLY C C 176.058 0.300 1 116 16 16 GLY CA C 45.703 0.300 1 117 16 16 GLY N N 105.449 0.300 1 118 17 17 ASP H H 8.440 0.030 1 119 17 17 ASP HA H 4.575 0.030 1 120 17 17 ASP HB2 H 2.815 0.030 2 121 17 17 ASP HB3 H 2.270 0.030 2 122 17 17 ASP C C 176.775 0.300 1 123 17 17 ASP CA C 57.030 0.300 1 124 17 17 ASP CB C 41.072 0.300 1 125 17 17 ASP N N 121.607 0.300 1 126 18 18 ASN H H 8.160 0.030 1 127 18 18 ASN HA H 4.693 0.030 1 128 18 18 ASN HB2 H 2.864 0.030 2 129 18 18 ASN HB3 H 2.447 0.030 2 130 18 18 ASN HD21 H 6.828 0.030 2 131 18 18 ASN HD22 H 6.776 0.030 2 132 18 18 ASN C C 172.685 0.300 1 133 18 18 ASN CA C 52.715 0.300 1 134 18 18 ASN CB C 37.198 0.300 1 135 18 18 ASN N N 114.907 0.300 1 136 18 18 ASN ND2 N 110.413 0.300 1 137 19 19 ILE H H 7.080 0.030 1 138 19 19 ILE HA H 5.143 0.030 1 139 19 19 ILE HB H 1.821 0.030 1 140 19 19 ILE HD1 H 0.371 0.030 1 141 19 19 ILE HG12 H 0.933 0.030 2 142 19 19 ILE HG13 H 1.473 0.030 2 143 19 19 ILE HG2 H 0.103 0.030 1 144 19 19 ILE C C 175.811 0.300 1 145 19 19 ILE CA C 56.144 0.300 1 146 19 19 ILE CB C 37.399 0.300 1 147 19 19 ILE CD1 C 9.124 0.300 1 148 19 19 ILE CG1 C 25.512 0.300 1 149 19 19 ILE CG2 C 17.834 0.300 1 150 19 19 ILE N N 118.019 0.300 1 151 20 20 ARG H H 8.864 0.030 1 152 20 20 ARG HA H 4.526 0.030 1 153 20 20 ARG HB2 H 1.666 0.030 2 154 20 20 ARG HB3 H 1.536 0.030 2 155 20 20 ARG HD2 H 3.024 0.030 2 156 20 20 ARG HD3 H 2.764 0.030 2 157 20 20 ARG HG2 H 1.438 0.030 1 158 20 20 ARG HG3 H 1.438 0.030 1 159 20 20 ARG C C 175.599 0.300 1 160 20 20 ARG CA C 54.614 0.300 1 161 20 20 ARG CB C 33.567 0.300 1 162 20 20 ARG CD C 43.033 0.300 1 163 20 20 ARG CG C 27.393 0.300 1 164 20 20 ARG N N 124.507 0.300 1 165 21 21 ILE H H 8.905 0.030 1 166 21 21 ILE HA H 4.961 0.030 1 167 21 21 ILE HB H 1.894 0.030 1 168 21 21 ILE HD1 H 0.465 0.030 1 169 21 21 ILE HG12 H 1.293 0.030 2 170 21 21 ILE HG13 H 0.963 0.030 2 171 21 21 ILE HG2 H 1.191 0.030 1 172 21 21 ILE C C 176.017 0.300 1 173 21 21 ILE CA C 58.071 0.300 1 174 21 21 ILE CB C 38.002 0.300 1 175 21 21 ILE CD1 C 12.571 0.300 1 176 21 21 ILE CG1 C 27.589 0.300 1 177 21 21 ILE CG2 C 18.323 0.300 1 178 21 21 ILE N N 127.152 0.300 1 179 22 22 SER H H 8.012 0.030 1 180 22 22 SER HA H 4.426 0.030 1 181 22 22 SER HB2 H 3.881 0.030 1 182 22 22 SER HB3 H 3.881 0.030 1 183 22 22 SER CA C 58.000 0.300 1 184 22 22 SER CB C 63.843 0.300 1 185 22 22 SER N N 105.424 0.300 1 186 23 23 ARG HB2 H 1.533 0.030 2 187 23 23 ARG HB3 H 1.501 0.030 2 188 23 23 ARG HD2 H 3.185 0.030 1 189 23 23 ARG HD3 H 3.185 0.030 1 190 23 23 ARG HG2 H 1.932 0.030 1 191 23 23 ARG HG3 H 1.932 0.030 1 192 23 23 ARG C C 175.021 0.300 1 193 23 23 ARG CB C 33.572 0.300 1 194 23 23 ARG CD C 43.554 0.300 1 195 23 23 ARG CG C 28.716 0.300 1 196 25 25 GLY HA2 H 4.417 0.030 2 197 25 25 GLY HA3 H 3.881 0.030 2 198 25 25 GLY CA C 46.009 0.300 1 199 26 26 THR H H 7.977 0.030 1 200 26 26 THR HA H 4.895 0.030 1 201 26 26 THR HB H 4.638 0.030 1 202 26 26 THR HG2 H 1.394 0.030 1 203 26 26 THR C C 172.655 0.300 1 204 26 26 THR CA C 63.831 0.300 1 205 26 26 THR CB C 71.739 0.300 1 206 26 26 THR CG2 C 21.745 0.300 1 207 26 26 THR N N 108.346 0.300 1 208 27 27 LEU H H 8.054 0.030 1 209 27 27 LEU HA H 5.452 0.030 1 210 27 27 LEU HB2 H 1.704 0.030 1 211 27 27 LEU HB3 H 1.704 0.030 1 212 27 27 LEU HD1 H 0.698 0.030 1 213 27 27 LEU HD2 H 0.698 0.030 1 214 27 27 LEU HG H 1.355 0.030 1 215 27 27 LEU C C 173.827 0.300 1 216 27 27 LEU CA C 54.242 0.300 1 217 27 27 LEU CB C 45.420 0.300 1 218 27 27 LEU CD1 C 25.329 0.300 2 219 27 27 LEU CD2 C 23.953 0.300 2 220 27 27 LEU CG C 27.897 0.300 1 221 27 27 LEU N N 123.950 0.300 1 222 28 28 ALA H H 8.537 0.030 1 223 28 28 ALA HA H 4.725 0.030 1 224 28 28 ALA HB H -0.118 0.030 1 225 28 28 ALA C C 174.881 0.300 1 226 28 28 ALA CA C 50.067 0.300 1 227 28 28 ALA CB C 20.822 0.300 1 228 28 28 ALA N N 127.747 0.300 1 229 29 29 ARG H H 8.310 0.030 1 230 29 29 ARG HA H 5.263 0.030 1 231 29 29 ARG HB2 H 1.651 0.030 2 232 29 29 ARG HB3 H 1.471 0.030 2 233 29 29 ARG HD2 H 3.057 0.030 1 234 29 29 ARG HD3 H 3.057 0.030 1 235 29 29 ARG HG2 H 1.471 0.030 2 236 29 29 ARG HG3 H 1.342 0.030 2 237 29 29 ARG C C 175.114 0.300 1 238 29 29 ARG CA C 53.668 0.300 1 239 29 29 ARG CB C 34.587 0.300 1 240 29 29 ARG CD C 43.400 0.300 1 241 29 29 ARG CG C 28.230 0.300 1 242 29 29 ARG N N 118.549 0.300 1 243 30 30 ARG H H 9.017 0.030 1 244 30 30 ARG HA H 5.134 0.030 1 245 30 30 ARG HB2 H 1.020 0.030 2 246 30 30 ARG HB3 H 1.239 0.030 2 247 30 30 ARG HD2 H 3.088 0.030 2 248 30 30 ARG HD3 H 2.840 0.030 2 249 30 30 ARG HE H 5.964 0.030 1 250 30 30 ARG HG2 H 1.763 0.030 2 251 30 30 ARG HG3 H 1.798 0.030 2 252 30 30 ARG C C 176.444 0.300 1 253 30 30 ARG CA C 54.260 0.300 1 254 30 30 ARG CB C 30.488 0.300 1 255 30 30 ARG CD C 42.501 0.300 1 256 30 30 ARG CG C 27.140 0.300 1 257 30 30 ARG N N 124.482 0.300 1 258 30 30 ARG NE N 83.600 0.300 1 259 31 31 PHE H H 8.132 0.030 1 260 31 31 PHE HA H 4.567 0.030 1 261 31 31 PHE HB2 H 3.340 0.030 2 262 31 31 PHE HB3 H 2.584 0.030 2 263 31 31 PHE HD1 H 7.009 0.030 1 264 31 31 PHE HD2 H 7.009 0.030 1 265 31 31 PHE HE1 H 7.238 0.030 1 266 31 31 PHE HE2 H 7.238 0.030 1 267 31 31 PHE C C 173.716 0.300 1 268 31 31 PHE CA C 57.674 0.300 1 269 31 31 PHE CB C 40.327 0.300 1 270 31 31 PHE CD1 C 132.214 0.300 1 271 31 31 PHE CD2 C 132.214 0.300 1 272 31 31 PHE CE1 C 131.743 0.300 1 273 31 31 PHE CE2 C 131.743 0.300 1 274 31 31 PHE N N 125.153 0.300 1 275 32 32 GLU H H 6.799 0.030 1 276 32 32 GLU HA H 4.411 0.030 1 277 32 32 GLU HB2 H 1.653 0.030 2 278 32 32 GLU HB3 H 1.534 0.030 2 279 32 32 GLU HG2 H 1.898 0.030 2 280 32 32 GLU HG3 H 1.854 0.030 2 281 32 32 GLU C C 173.727 0.300 1 282 32 32 GLU CA C 55.111 0.300 1 283 32 32 GLU CB C 32.897 0.300 1 284 32 32 GLU CG C 35.419 0.300 1 285 32 32 GLU N N 118.712 0.300 1 286 33 33 SER H H 8.468 0.030 1 287 33 33 SER HA H 3.866 0.030 1 288 33 33 SER HB2 H 3.756 0.030 2 289 33 33 SER HB3 H 3.696 0.030 2 290 33 33 SER C C 174.642 0.300 1 291 33 33 SER CA C 56.756 0.300 1 292 33 33 SER CB C 63.029 0.300 1 293 33 33 SER N N 110.682 0.300 1 294 34 34 PHE H H 8.310 0.030 1 295 34 34 PHE HA H 3.905 0.030 1 296 34 34 PHE HB2 H 2.417 0.030 2 297 34 34 PHE HB3 H 1.405 0.030 2 298 34 34 PHE HD1 H 6.893 0.030 1 299 34 34 PHE HD2 H 6.893 0.030 1 300 34 34 PHE HE1 H 7.437 0.030 1 301 34 34 PHE HE2 H 7.437 0.030 1 302 34 34 PHE C C 172.322 0.300 1 303 34 34 PHE CA C 54.997 0.300 1 304 34 34 PHE CB C 39.281 0.300 1 305 34 34 PHE CD1 C 132.870 0.300 1 306 34 34 PHE CD2 C 132.870 0.300 1 307 34 34 PHE CE1 C 131.860 0.300 1 308 34 34 PHE CE2 C 131.860 0.300 1 309 34 34 PHE N N 115.637 0.300 1 310 35 35 CYS H H 6.517 0.030 1 311 35 35 CYS HA H 5.256 0.030 1 312 35 35 CYS HB2 H 2.624 0.030 2 313 35 35 CYS HB3 H 2.545 0.030 2 314 35 35 CYS C C 173.284 0.300 1 315 35 35 CYS CA C 55.838 0.300 1 316 35 35 CYS CB C 30.406 0.300 1 317 35 35 CYS N N 113.810 0.300 1 318 36 36 ARG H H 8.504 0.030 1 319 36 36 ARG HA H 4.027 0.030 1 320 36 36 ARG HB2 H 1.339 0.030 2 321 36 36 ARG HB3 H 1.680 0.030 2 322 36 36 ARG HD2 H 3.035 0.030 1 323 36 36 ARG HD3 H 3.035 0.030 1 324 36 36 ARG HG2 H 1.390 0.030 2 325 36 36 ARG HG3 H 1.316 0.030 2 326 36 36 ARG C C 176.310 0.300 1 327 36 36 ARG CA C 57.330 0.300 1 328 36 36 ARG CB C 27.201 0.300 1 329 36 36 ARG CD C 43.767 0.300 1 330 36 36 ARG CG C 29.139 0.300 1 331 36 36 ARG N N 114.740 0.300 1 332 37 37 ALA H H 9.418 0.030 1 333 37 37 ALA HA H 4.393 0.030 1 334 37 37 ALA HB H 1.003 0.030 1 335 37 37 ALA C C 176.336 0.300 1 336 37 37 ALA CA C 50.178 0.300 1 337 37 37 ALA CB C 20.825 0.300 1 338 37 37 ALA N N 121.944 0.300 1 339 38 38 ILE H H 6.691 0.030 1 340 38 38 ILE HA H 3.539 0.030 1 341 38 38 ILE HB H 1.405 0.030 1 342 38 38 ILE HD1 H 0.439 0.030 1 343 38 38 ILE HG12 H 1.516 0.030 2 344 38 38 ILE HG13 H 0.358 0.030 2 345 38 38 ILE HG2 H 0.262 0.030 1 346 38 38 ILE C C 174.806 0.300 1 347 38 38 ILE CA C 64.175 0.300 1 348 38 38 ILE CB C 38.569 0.300 1 349 38 38 ILE CD1 C 14.078 0.300 1 350 38 38 ILE CG1 C 29.582 0.300 1 351 38 38 ILE CG2 C 19.675 0.300 1 352 38 38 ILE N N 117.253 0.300 1 353 39 39 THR H H 7.978 0.030 1 354 39 39 THR HA H 4.880 0.030 1 355 39 39 THR HB H 4.513 0.030 1 356 39 39 THR HG2 H 0.865 0.030 1 357 39 39 THR C C 172.025 0.300 1 358 39 39 THR CA C 60.160 0.300 1 359 39 39 THR CB C 74.009 0.300 1 360 39 39 THR CG2 C 22.682 0.300 1 361 39 39 THR N N 117.731 0.300 1 362 40 40 PHE H H 9.673 0.030 1 363 40 40 PHE HA H 6.099 0.030 1 364 40 40 PHE HB2 H 3.508 0.030 2 365 40 40 PHE HB3 H 2.573 0.030 2 366 40 40 PHE HD1 H 7.517 0.030 1 367 40 40 PHE HD2 H 7.517 0.030 1 368 40 40 PHE HE1 H 6.780 0.030 1 369 40 40 PHE HE2 H 6.780 0.030 1 370 40 40 PHE HZ H 6.927 0.030 1 371 40 40 PHE C C 176.863 0.300 1 372 40 40 PHE CA C 55.728 0.300 1 373 40 40 PHE CB C 45.224 0.300 1 374 40 40 PHE CD1 C 133.407 0.300 1 375 40 40 PHE CD2 C 133.407 0.300 1 376 40 40 PHE CE1 C 128.758 0.300 1 377 40 40 PHE CE2 C 128.758 0.300 1 378 40 40 PHE CZ C 129.391 0.300 1 379 40 40 PHE N N 116.606 0.300 1 380 41 41 SER H H 8.111 0.030 1 381 41 41 SER HA H 4.818 0.030 1 382 41 41 SER HB2 H 4.443 0.030 2 383 41 41 SER HB3 H 4.180 0.030 2 384 41 41 SER C C 176.187 0.300 1 385 41 41 SER CA C 58.898 0.300 1 386 41 41 SER CB C 65.412 0.300 1 387 41 41 SER N N 113.937 0.300 1 388 42 42 ALA H H 9.265 0.030 1 389 42 42 ALA HA H 4.274 0.030 1 390 42 42 ALA HB H 1.266 0.030 1 391 42 42 ALA C C 177.188 0.300 1 392 42 42 ALA CA C 54.079 0.300 1 393 42 42 ALA CB C 18.951 0.300 1 394 42 42 ALA N N 120.153 0.300 1 395 43 43 ARG H H 7.576 0.030 1 396 43 43 ARG HA H 5.235 0.030 1 397 43 43 ARG HB2 H 1.910 0.030 2 398 43 43 ARG HB3 H 1.692 0.030 2 399 43 43 ARG HD2 H 3.014 0.030 1 400 43 43 ARG HD3 H 3.014 0.030 1 401 43 43 ARG HE H 6.940 0.030 1 402 43 43 ARG HG2 H 1.582 0.030 2 403 43 43 ARG HG3 H 1.457 0.030 2 404 43 43 ARG C C 171.794 0.300 1 405 43 43 ARG CA C 51.563 0.300 1 406 43 43 ARG CB C 30.129 0.300 1 407 43 43 ARG CD C 43.400 0.300 1 408 43 43 ARG CG C 24.675 0.300 1 409 43 43 ARG N N 111.127 0.300 1 410 43 43 ARG NE N 84.799 0.300 1 411 44 44 PRO HA H 4.040 0.030 1 412 44 44 PRO HB2 H 1.396 0.030 2 413 44 44 PRO HB3 H 1.174 0.030 2 414 44 44 PRO HD2 H 3.813 0.030 2 415 44 44 PRO HD3 H 3.561 0.030 2 416 44 44 PRO HG2 H 1.737 0.030 2 417 44 44 PRO HG3 H 1.295 0.030 2 418 44 44 PRO C C 177.137 0.300 1 419 44 44 PRO CA C 61.858 0.300 1 420 44 44 PRO CB C 31.941 0.300 1 421 44 44 PRO CD C 50.757 0.300 1 422 44 44 PRO CG C 27.119 0.300 1 423 45 45 VAL H H 8.996 0.030 1 424 45 45 VAL HA H 4.262 0.030 1 425 45 45 VAL HB H 2.000 0.030 1 426 45 45 VAL HG1 H 1.000 0.030 1 427 45 45 VAL HG2 H 0.912 0.030 1 428 45 45 VAL C C 174.814 0.300 1 429 45 45 VAL CA C 59.249 0.300 1 430 45 45 VAL CB C 33.871 0.300 1 431 45 45 VAL CG1 C 22.092 0.300 2 432 45 45 VAL CG2 C 19.332 0.300 2 433 45 45 VAL N N 118.339 0.300 1 434 46 46 ARG H H 8.473 0.030 1 435 46 46 ARG HA H 4.377 0.030 1 436 46 46 ARG HB2 H 1.834 0.030 2 437 46 46 ARG HB3 H 1.650 0.030 2 438 46 46 ARG HD2 H 3.175 0.030 2 439 46 46 ARG HD3 H 3.092 0.030 2 440 46 46 ARG HG2 H 1.569 0.030 2 441 46 46 ARG HG3 H 1.669 0.030 2 442 46 46 ARG C C 177.869 0.300 1 443 46 46 ARG CA C 54.997 0.300 1 444 46 46 ARG CB C 31.970 0.300 1 445 46 46 ARG CD C 43.312 0.300 1 446 46 46 ARG CG C 27.892 0.300 1 447 46 46 ARG N N 120.689 0.300 1 448 47 47 ILE H H 8.366 0.030 1 449 47 47 ILE HA H 3.627 0.030 1 450 47 47 ILE HB H 1.655 0.030 1 451 47 47 ILE HD1 H 0.709 0.030 1 452 47 47 ILE HG12 H 1.434 0.030 2 453 47 47 ILE HG13 H 1.153 0.030 2 454 47 47 ILE HG2 H 0.772 0.030 1 455 47 47 ILE C C 178.189 0.300 1 456 47 47 ILE CA C 62.849 0.300 1 457 47 47 ILE CB C 36.507 0.300 1 458 47 47 ILE CD1 C 12.282 0.300 1 459 47 47 ILE CG1 C 28.124 0.300 1 460 47 47 ILE CG2 C 17.394 0.300 1 461 47 47 ILE N N 122.410 0.300 1 462 48 48 ASN H H 9.497 0.030 1 463 48 48 ASN HA H 4.157 0.030 1 464 48 48 ASN HB2 H 3.209 0.030 2 465 48 48 ASN HB3 H 2.666 0.030 2 466 48 48 ASN HD21 H 7.479 0.030 2 467 48 48 ASN HD22 H 6.880 0.030 2 468 48 48 ASN C C 173.813 0.300 1 469 48 48 ASN CA C 56.228 0.300 1 470 48 48 ASN CB C 37.504 0.300 1 471 48 48 ASN N N 120.212 0.300 1 472 48 48 ASN ND2 N 113.220 0.300 1 473 49 49 GLU H H 7.983 0.030 1 474 49 49 GLU HA H 4.071 0.030 1 475 49 49 GLU HB2 H 2.286 0.030 2 476 49 49 GLU HB3 H 1.701 0.030 2 477 49 49 GLU HG2 H 2.181 0.030 2 478 49 49 GLU HG3 H 1.930 0.030 2 479 49 49 GLU C C 175.171 0.300 1 480 49 49 GLU CA C 56.523 0.300 1 481 49 49 GLU CB C 30.481 0.300 1 482 49 49 GLU CG C 35.441 0.300 1 483 49 49 GLU N N 123.940 0.300 1 484 50 50 ARG H H 8.679 0.030 1 485 50 50 ARG HA H 4.326 0.030 1 486 50 50 ARG HB2 H 1.769 0.030 2 487 50 50 ARG HB3 H 1.589 0.030 2 488 50 50 ARG HD2 H 2.658 0.030 2 489 50 50 ARG HD3 H 2.626 0.030 2 490 50 50 ARG HG2 H 1.493 0.030 2 491 50 50 ARG HG3 H 1.420 0.030 2 492 50 50 ARG C C 174.914 0.300 1 493 50 50 ARG CA C 57.483 0.300 1 494 50 50 ARG CB C 30.251 0.300 1 495 50 50 ARG CD C 43.095 0.300 1 496 50 50 ARG CG C 29.722 0.300 1 497 50 50 ARG N N 127.300 0.300 1 498 51 51 ILE H H 9.420 0.030 1 499 51 51 ILE HA H 3.912 0.030 1 500 51 51 ILE HB H 1.181 0.030 1 501 51 51 ILE HD1 H 0.669 0.030 1 502 51 51 ILE HG12 H 1.176 0.030 2 503 51 51 ILE HG13 H 1.103 0.030 2 504 51 51 ILE HG2 H 0.733 0.030 1 505 51 51 ILE C C 175.300 0.300 1 506 51 51 ILE CA C 60.752 0.300 1 507 51 51 ILE CB C 37.340 0.300 1 508 51 51 ILE CD1 C 14.138 0.300 1 509 51 51 ILE CG1 C 27.072 0.300 1 510 51 51 ILE CG2 C 19.106 0.300 1 511 51 51 ILE N N 130.879 0.300 1 512 52 52 CYS H H 8.961 0.030 1 513 52 52 CYS HA H 5.422 0.030 1 514 52 52 CYS HB2 H 2.796 0.030 2 515 52 52 CYS HB3 H 2.413 0.030 2 516 52 52 CYS C C 173.603 0.300 1 517 52 52 CYS CA C 57.827 0.300 1 518 52 52 CYS CB C 30.238 0.300 1 519 52 52 CYS N N 124.457 0.300 1 520 53 53 VAL H H 9.585 0.030 1 521 53 53 VAL HA H 5.041 0.030 1 522 53 53 VAL HB H 1.870 0.030 1 523 53 53 VAL HG1 H 0.648 0.030 1 524 53 53 VAL HG2 H 0.852 0.030 1 525 53 53 VAL C C 173.169 0.300 1 526 53 53 VAL CA C 59.318 0.300 1 527 53 53 VAL CB C 35.533 0.300 1 528 53 53 VAL CG1 C 22.631 0.300 2 529 53 53 VAL CG2 C 20.874 0.300 2 530 53 53 VAL N N 122.729 0.300 1 531 54 54 LYS H H 9.389 0.030 1 532 54 54 LYS HA H 4.971 0.030 1 533 54 54 LYS HB2 H 1.864 0.030 2 534 54 54 LYS HB3 H 1.590 0.030 2 535 54 54 LYS HD2 H 1.742 0.030 2 536 54 54 LYS HD3 H 1.645 0.030 2 537 54 54 LYS HE2 H 2.912 0.030 2 538 54 54 LYS HE3 H 2.844 0.030 2 539 54 54 LYS HG2 H 1.233 0.030 2 540 54 54 LYS HG3 H 1.042 0.030 2 541 54 54 LYS C C 177.220 0.300 1 542 54 54 LYS CA C 53.934 0.300 1 543 54 54 LYS CB C 36.298 0.300 1 544 54 54 LYS CD C 29.649 0.300 1 545 54 54 LYS CE C 42.094 0.300 1 546 54 54 LYS CG C 25.441 0.300 1 547 54 54 LYS N N 124.886 0.300 1 548 55 55 PHE H H 8.410 0.030 1 549 55 55 PHE HA H 4.854 0.030 1 550 55 55 PHE HB2 H 3.508 0.030 2 551 55 55 PHE HB3 H 2.982 0.030 2 552 55 55 PHE HD1 H 7.441 0.030 1 553 55 55 PHE HD2 H 7.441 0.030 1 554 55 55 PHE HE1 H 7.202 0.030 1 555 55 55 PHE HE2 H 7.202 0.030 1 556 55 55 PHE HZ H 6.963 0.030 1 557 55 55 PHE C C 174.013 0.300 1 558 55 55 PHE CA C 55.953 0.300 1 559 55 55 PHE CB C 35.903 0.300 1 560 55 55 PHE CD1 C 131.313 0.300 1 561 55 55 PHE CD2 C 131.313 0.300 1 562 55 55 PHE CE1 C 130.330 0.300 1 563 55 55 PHE CE2 C 130.330 0.300 1 564 55 55 PHE CZ C 129.061 0.300 1 565 55 55 PHE N N 126.379 0.300 1 566 56 56 ALA H H 7.988 0.030 1 567 56 56 ALA HA H 4.292 0.030 1 568 56 56 ALA HB H 1.263 0.030 1 569 56 56 ALA C C 177.241 0.300 1 570 56 56 ALA CA C 53.834 0.300 1 571 56 56 ALA CB C 20.128 0.300 1 572 56 56 ALA N N 130.644 0.300 1 573 57 57 GLU H H 7.861 0.030 1 574 57 57 GLU HA H 4.599 0.030 1 575 57 57 GLU HB2 H 1.847 0.030 2 576 57 57 GLU HB3 H 1.693 0.030 2 577 57 57 GLU HG2 H 2.110 0.030 1 578 57 57 GLU HG3 H 2.110 0.030 1 579 57 57 GLU C C 174.170 0.300 1 580 57 57 GLU CA C 55.723 0.300 1 581 57 57 GLU CB C 33.413 0.300 1 582 57 57 GLU CG C 36.158 0.300 1 583 57 57 GLU N N 115.293 0.300 1 584 58 58 ILE H H 8.672 0.030 1 585 58 58 ILE HA H 5.162 0.030 1 586 58 58 ILE HB H 1.917 0.030 1 587 58 58 ILE HD1 H 0.759 0.030 1 588 58 58 ILE HG12 H 1.344 0.030 2 589 58 58 ILE HG13 H 1.218 0.030 2 590 58 58 ILE HG2 H 0.882 0.030 1 591 58 58 ILE C C 175.500 0.300 1 592 58 58 ILE CA C 57.602 0.300 1 593 58 58 ILE CB C 41.330 0.300 1 594 58 58 ILE CD1 C 11.846 0.300 1 595 58 58 ILE CG1 C 26.516 0.300 1 596 58 58 ILE CG2 C 18.373 0.300 1 597 58 58 ILE N N 123.791 0.300 1 598 59 59 SER H H 9.538 0.030 1 599 59 59 SER HA H 4.689 0.030 1 600 59 59 SER HB2 H 4.078 0.030 2 601 59 59 SER HB3 H 3.883 0.030 2 602 59 59 SER C C 173.559 0.300 1 603 59 59 SER CA C 56.374 0.300 1 604 59 59 SER CB C 65.452 0.300 1 605 59 59 SER N N 120.189 0.300 1 606 60 60 ASN H H 8.351 0.030 1 607 60 60 ASN HA H 4.814 0.030 1 608 60 60 ASN HB2 H 2.792 0.030 1 609 60 60 ASN HB3 H 2.792 0.030 1 610 60 60 ASN HD21 H 7.503 0.030 2 611 60 60 ASN HD22 H 6.794 0.030 2 612 60 60 ASN C C 175.801 0.300 1 613 60 60 ASN CA C 53.046 0.300 1 614 60 60 ASN CB C 38.788 0.300 1 615 60 60 ASN N N 119.877 0.300 1 616 60 60 ASN ND2 N 111.468 0.300 1 617 61 61 ASN H H 8.184 0.030 1 618 61 61 ASN HA H 4.249 0.030 1 619 61 61 ASN HB2 H 1.743 0.030 2 620 61 61 ASN HB3 H 1.622 0.030 2 621 61 61 ASN HD21 H 6.527 0.030 2 622 61 61 ASN HD22 H 6.462 0.030 2 623 61 61 ASN C C 173.913 0.300 1 624 61 61 ASN CA C 54.270 0.300 1 625 61 61 ASN CB C 38.307 0.300 1 626 61 61 ASN N N 116.635 0.300 1 627 61 61 ASN ND2 N 111.699 0.300 1 628 62 62 TRP H H 8.044 0.030 1 629 62 62 TRP HA H 4.820 0.030 1 630 62 62 TRP HB2 H 3.211 0.030 2 631 62 62 TRP HB3 H 2.448 0.030 2 632 62 62 TRP HD1 H 6.854 0.030 1 633 62 62 TRP HE1 H 10.081 0.030 1 634 62 62 TRP HE3 H 7.465 0.030 1 635 62 62 TRP HH2 H 7.190 0.030 1 636 62 62 TRP HZ2 H 7.339 0.030 1 637 62 62 TRP HZ3 H 6.985 0.030 1 638 62 62 TRP C C 174.113 0.300 1 639 62 62 TRP CA C 55.110 0.300 1 640 62 62 TRP CB C 30.884 0.300 1 641 62 62 TRP CD1 C 127.180 0.300 1 642 62 62 TRP CE3 C 121.376 0.300 1 643 62 62 TRP CH2 C 124.281 0.300 1 644 62 62 TRP CZ2 C 114.715 0.300 1 645 62 62 TRP CZ3 C 121.981 0.300 1 646 62 62 TRP N N 119.607 0.300 1 647 62 62 TRP NE1 N 128.107 0.300 1 648 63 63 ASN H H 8.068 0.030 1 649 63 63 ASN HA H 4.938 0.030 1 650 63 63 ASN HB2 H 2.685 0.030 2 651 63 63 ASN HB3 H 2.641 0.030 2 652 63 63 ASN HD21 H 7.653 0.030 2 653 63 63 ASN HD22 H 6.851 0.030 2 654 63 63 ASN C C 174.513 0.300 1 655 63 63 ASN CA C 53.145 0.300 1 656 63 63 ASN CB C 41.510 0.300 1 657 63 63 ASN N N 117.311 0.300 1 658 63 63 ASN ND2 N 113.722 0.300 1 659 64 64 GLY H H 8.587 0.030 1 660 64 64 GLY HA2 H 4.552 0.030 2 661 64 64 GLY HA3 H 3.851 0.030 2 662 64 64 GLY C C 172.543 0.300 1 663 64 64 GLY CA C 44.403 0.300 1 664 64 64 GLY N N 110.458 0.300 1 665 65 65 GLY H H 8.320 0.030 1 666 65 65 GLY HA2 H 4.986 0.030 2 667 65 65 GLY HA3 H 3.975 0.030 2 668 65 65 GLY C C 174.063 0.300 1 669 65 65 GLY CA C 44.365 0.300 1 670 65 65 GLY N N 107.153 0.300 1 671 66 66 ILE H H 6.756 0.030 1 672 66 66 ILE HA H 4.589 0.030 1 673 66 66 ILE HB H 2.040 0.030 1 674 66 66 ILE HD1 H 0.752 0.030 1 675 66 66 ILE HG12 H 1.553 0.030 2 676 66 66 ILE HG13 H 1.120 0.030 2 677 66 66 ILE HG2 H 1.131 0.030 1 678 66 66 ILE C C 174.249 0.300 1 679 66 66 ILE CA C 62.786 0.300 1 680 66 66 ILE CB C 39.604 0.300 1 681 66 66 ILE CD1 C 14.758 0.300 1 682 66 66 ILE CG1 C 27.050 0.300 1 683 66 66 ILE CG2 C 18.896 0.300 1 684 66 66 ILE N N 114.506 0.300 1 685 67 67 ARG H H 7.921 0.030 1 686 67 67 ARG HA H 5.344 0.030 1 687 67 67 ARG HB2 H 1.504 0.030 2 688 67 67 ARG HB3 H 1.743 0.030 2 689 67 67 ARG HG2 H 1.156 0.030 2 690 67 67 ARG HG3 H 1.355 0.030 2 691 67 67 ARG C C 175.230 0.300 1 692 67 67 ARG CA C 55.346 0.300 1 693 67 67 ARG CB C 33.493 0.300 1 694 67 67 ARG CD C 43.950 0.300 1 695 67 67 ARG CG C 31.446 0.300 1 696 67 67 ARG N N 120.338 0.300 1 697 68 68 PHE H H 8.568 0.030 1 698 68 68 PHE HA H 5.597 0.030 1 699 68 68 PHE HB2 H 2.721 0.030 2 700 68 68 PHE HB3 H 2.548 0.030 2 701 68 68 PHE HD1 H 5.907 0.030 1 702 68 68 PHE HD2 H 5.907 0.030 1 703 68 68 PHE HE1 H 6.401 0.030 1 704 68 68 PHE HE2 H 6.401 0.030 1 705 68 68 PHE HZ H 6.203 0.030 1 706 68 68 PHE C C 172.492 0.300 1 707 68 68 PHE CA C 55.091 0.300 1 708 68 68 PHE CB C 42.572 0.300 1 709 68 68 PHE CD1 C 131.270 0.300 1 710 68 68 PHE CD2 C 131.270 0.300 1 711 68 68 PHE CE1 C 129.733 0.300 1 712 68 68 PHE CE2 C 129.733 0.300 1 713 68 68 PHE CZ C 128.681 0.300 1 714 68 68 PHE N N 118.171 0.300 1 715 69 69 GLY H H 8.129 0.030 1 716 69 69 GLY HA2 H 5.259 0.030 2 717 69 69 GLY HA3 H 3.237 0.030 2 718 69 69 GLY CA C 45.735 0.300 1 719 69 69 GLY N N 103.237 0.300 1 720 70 70 PHE H H 9.817 0.030 1 721 70 70 PHE HA H 6.107 0.030 1 722 70 70 PHE HB2 H 3.485 0.030 2 723 70 70 PHE HB3 H 2.799 0.030 2 724 70 70 PHE HD1 H 7.019 0.030 1 725 70 70 PHE HD2 H 7.019 0.030 1 726 70 70 PHE HE1 H 7.332 0.030 1 727 70 70 PHE HE2 H 7.332 0.030 1 728 70 70 PHE HZ H 7.288 0.030 1 729 70 70 PHE C C 173.727 0.300 1 730 70 70 PHE CA C 57.755 0.300 1 731 70 70 PHE CB C 47.155 0.300 1 732 70 70 PHE CD1 C 131.032 0.300 1 733 70 70 PHE CD2 C 131.032 0.300 1 734 70 70 PHE CE1 C 131.248 0.300 1 735 70 70 PHE CE2 C 131.248 0.300 1 736 70 70 PHE CZ C 131.378 0.300 1 737 70 70 PHE N N 123.162 0.300 1 738 71 71 THR H H 9.994 0.030 1 739 71 71 THR HA H 5.753 0.030 1 740 71 71 THR HB H 4.139 0.030 1 741 71 71 THR HG2 H 1.448 0.030 1 742 71 71 THR C C 171.645 0.300 1 743 71 71 THR CA C 58.151 0.300 1 744 71 71 THR CB C 71.323 0.300 1 745 71 71 THR CG2 C 18.528 0.300 1 746 71 71 THR N N 113.083 0.300 1 747 72 72 SER H H 8.594 0.030 1 748 72 72 SER HA H 5.662 0.030 1 749 72 72 SER HB2 H 4.624 0.030 2 750 72 72 SER HB3 H 3.901 0.030 2 751 72 72 SER C C 174.056 0.300 1 752 72 72 SER CA C 57.542 0.300 1 753 72 72 SER CB C 64.311 0.300 1 754 72 72 SER N N 120.755 0.300 1 755 73 73 ASN H H 8.616 0.030 1 756 73 73 ASN HA H 4.502 0.030 1 757 73 73 ASN HB2 H 2.040 0.030 2 758 73 73 ASN HB3 H 1.845 0.030 2 759 73 73 ASN HD21 H 6.625 0.030 1 760 73 73 ASN HD22 H 6.625 0.030 1 761 73 73 ASN C C 170.395 0.300 1 762 73 73 ASN CA C 51.937 0.300 1 763 73 73 ASN CB C 40.183 0.300 1 764 73 73 ASN N N 123.828 0.300 1 765 73 73 ASN ND2 N 116.003 0.300 1 766 74 74 ASP H H 7.829 0.030 1 767 74 74 ASP HA H 1.685 0.030 1 768 74 74 ASP HB2 H 2.305 0.030 2 769 74 74 ASP HB3 H 2.197 0.030 2 770 74 74 ASP C C 176.539 0.300 1 771 74 74 ASP CA C 50.242 0.300 1 772 74 74 ASP CB C 41.958 0.300 1 773 74 74 ASP N N 121.627 0.300 1 774 75 75 PRO HA H 2.856 0.030 1 775 75 75 PRO HB2 H 0.635 0.030 2 776 75 75 PRO HB3 H -0.457 0.030 2 777 75 75 PRO HD2 H 2.020 0.030 2 778 75 75 PRO HD3 H 1.952 0.030 2 779 75 75 PRO HG2 H 1.265 0.030 2 780 75 75 PRO HG3 H 0.566 0.030 2 781 75 75 PRO C C 177.417 0.300 1 782 75 75 PRO CA C 64.408 0.300 1 783 75 75 PRO CB C 30.721 0.300 1 784 75 75 PRO CD C 49.297 0.300 1 785 75 75 PRO CG C 27.970 0.300 1 786 76 76 VAL H H 7.572 0.030 1 787 76 76 VAL HA H 3.700 0.030 1 788 76 76 VAL HB H 1.961 0.030 1 789 76 76 VAL HG1 H 0.989 0.030 1 790 76 76 VAL HG2 H 0.926 0.030 1 791 76 76 VAL C C 178.838 0.300 1 792 76 76 VAL CA C 65.708 0.300 1 793 76 76 VAL CB C 31.602 0.300 1 794 76 76 VAL CG1 C 21.522 0.300 2 795 76 76 VAL CG2 C 21.127 0.300 2 796 76 76 VAL N N 111.736 0.300 1 797 77 77 THR H H 7.930 0.030 1 798 77 77 THR HA H 4.133 0.030 1 799 77 77 THR HB H 4.227 0.030 1 800 77 77 THR HG2 H 1.193 0.030 1 801 77 77 THR C C 175.229 0.300 1 802 77 77 THR CA C 63.029 0.300 1 803 77 77 THR CB C 69.865 0.300 1 804 77 77 THR CG2 C 22.022 0.300 1 805 77 77 THR N N 109.770 0.300 1 806 78 78 LEU H H 7.424 0.030 1 807 78 78 LEU HA H 4.183 0.030 1 808 78 78 LEU HB2 H 1.417 0.030 2 809 78 78 LEU HB3 H 1.285 0.030 2 810 78 78 LEU HD1 H 0.457 0.030 1 811 78 78 LEU HD2 H 0.615 0.030 1 812 78 78 LEU HG H 1.220 0.030 1 813 78 78 LEU C C 177.047 0.300 1 814 78 78 LEU CA C 53.428 0.300 1 815 78 78 LEU CB C 41.867 0.300 1 816 78 78 LEU CD1 C 26.986 0.300 2 817 78 78 LEU CD2 C 22.880 0.300 2 818 78 78 LEU CG C 26.190 0.300 1 819 78 78 LEU N N 119.890 0.300 1 820 79 79 GLU H H 6.720 0.030 1 821 79 79 GLU HA H 3.788 0.030 1 822 79 79 GLU HB2 H 1.904 0.030 1 823 79 79 GLU HB3 H 1.904 0.030 1 824 79 79 GLU HG2 H 2.186 0.030 1 825 79 79 GLU HG3 H 2.186 0.030 1 826 79 79 GLU C C 177.059 0.300 1 827 79 79 GLU CA C 58.362 0.300 1 828 79 79 GLU CB C 29.749 0.300 1 829 79 79 GLU CG C 35.501 0.300 1 830 79 79 GLU N N 120.869 0.300 1 831 80 80 GLY H H 8.850 0.030 1 832 80 80 GLY HA2 H 4.206 0.030 2 833 80 80 GLY HA3 H 3.842 0.030 2 834 80 80 GLY C C 175.173 0.300 1 835 80 80 GLY CA C 45.742 0.300 1 836 80 80 GLY N N 115.309 0.300 1 837 81 81 THR H H 7.911 0.030 1 838 81 81 THR HA H 4.624 0.030 1 839 81 81 THR HB H 4.335 0.030 1 840 81 81 THR HG2 H 0.999 0.030 1 841 81 81 THR C C 175.220 0.300 1 842 81 81 THR CA C 60.347 0.300 1 843 81 81 THR CB C 70.170 0.300 1 844 81 81 THR CG2 C 20.941 0.300 1 845 81 81 THR N N 109.437 0.300 1 846 82 82 LEU H H 8.164 0.030 1 847 82 82 LEU HA H 4.204 0.030 1 848 82 82 LEU HB2 H 1.862 0.030 2 849 82 82 LEU HB3 H 1.255 0.030 2 850 82 82 LEU HD1 H 0.672 0.030 1 851 82 82 LEU HD2 H 0.837 0.030 1 852 82 82 LEU HG H 1.766 0.030 1 853 82 82 LEU C C 175.380 0.300 1 854 82 82 LEU CA C 53.353 0.300 1 855 82 82 LEU CB C 40.850 0.300 1 856 82 82 LEU CD1 C 25.171 0.300 2 857 82 82 LEU CD2 C 24.285 0.300 2 858 82 82 LEU CG C 26.322 0.300 1 859 82 82 LEU N N 123.986 0.300 1 860 83 83 PRO HA H 4.715 0.030 1 861 83 83 PRO HB2 H 2.337 0.030 2 862 83 83 PRO HB3 H 2.111 0.030 2 863 83 83 PRO HD2 H 3.637 0.030 2 864 83 83 PRO HD3 H 3.062 0.030 2 865 83 83 PRO HG2 H 1.568 0.030 1 866 83 83 PRO HG3 H 1.568 0.030 1 867 83 83 PRO CA C 61.303 0.300 1 868 83 83 PRO CB C 32.695 0.300 1 869 83 83 PRO CD C 49.301 0.300 1 870 83 83 PRO CG C 26.338 0.300 1 871 84 84 LYS H H 8.235 0.030 1 872 84 84 LYS HA H 3.455 0.030 1 873 84 84 LYS HB2 H 1.099 0.030 2 874 84 84 LYS HB3 H 0.836 0.030 2 875 84 84 LYS HD2 H 1.520 0.030 1 876 84 84 LYS HD3 H 1.520 0.030 1 877 84 84 LYS HE2 H 2.848 0.030 1 878 84 84 LYS HE3 H 2.848 0.030 1 879 84 84 LYS HG2 H 1.222 0.030 2 880 84 84 LYS HG3 H 0.898 0.030 2 881 84 84 LYS C C 176.230 0.300 1 882 84 84 LYS CA C 59.764 0.300 1 883 84 84 LYS CB C 33.430 0.300 1 884 84 84 LYS CD C 29.457 0.300 1 885 84 84 LYS CE C 41.664 0.300 1 886 84 84 LYS CG C 25.508 0.300 1 887 84 84 LYS N N 113.768 0.300 1 888 85 85 TYR H H 6.855 0.030 1 889 85 85 TYR HA H 4.875 0.030 1 890 85 85 TYR HB2 H 3.167 0.030 2 891 85 85 TYR HB3 H 2.454 0.030 2 892 85 85 TYR HD1 H 7.203 0.030 1 893 85 85 TYR HD2 H 7.203 0.030 1 894 85 85 TYR HE1 H 6.990 0.030 1 895 85 85 TYR HE2 H 6.990 0.030 1 896 85 85 TYR C C 175.021 0.300 1 897 85 85 TYR CA C 54.347 0.300 1 898 85 85 TYR CB C 42.435 0.300 1 899 85 85 TYR CD1 C 134.204 0.300 1 900 85 85 TYR CD2 C 134.204 0.300 1 901 85 85 TYR CE1 C 118.380 0.300 1 902 85 85 TYR CE2 C 118.380 0.300 1 903 85 85 TYR N N 111.402 0.300 1 904 86 86 ALA H H 9.555 0.030 1 905 86 86 ALA HA H 3.856 0.030 1 906 86 86 ALA HB H 1.101 0.030 1 907 86 86 ALA C C 177.774 0.300 1 908 86 86 ALA CA C 54.193 0.300 1 909 86 86 ALA CB C 18.958 0.300 1 910 86 86 ALA N N 122.236 0.300 1 911 87 87 CYS H H 8.571 0.030 1 912 87 87 CYS HA H 4.899 0.030 1 913 87 87 CYS HB2 H 2.948 0.030 2 914 87 87 CYS HB3 H 2.306 0.030 2 915 87 87 CYS C C 172.945 0.300 1 916 87 87 CYS CA C 54.496 0.300 1 917 87 87 CYS CB C 29.174 0.300 1 918 87 87 CYS N N 115.822 0.300 1 919 88 88 PRO HA H 4.748 0.030 1 920 88 88 PRO HB2 H 2.087 0.030 2 921 88 88 PRO HB3 H 2.037 0.030 2 922 88 88 PRO HD2 H 3.477 0.030 2 923 88 88 PRO HD3 H 3.335 0.030 2 924 88 88 PRO HG2 H 1.913 0.030 2 925 88 88 PRO HG3 H 1.673 0.030 2 926 88 88 PRO C C 177.263 0.300 1 927 88 88 PRO CA C 64.634 0.300 1 928 88 88 PRO CB C 34.104 0.300 1 929 88 88 PRO CD C 49.620 0.300 1 930 88 88 PRO CG C 24.242 0.300 1 931 89 89 ASP H H 7.657 0.030 1 932 89 89 ASP HA H 3.984 0.030 1 933 89 89 ASP HB2 H 3.212 0.030 2 934 89 89 ASP HB3 H 2.340 0.030 2 935 89 89 ASP C C 178.632 0.300 1 936 89 89 ASP CA C 59.242 0.300 1 937 89 89 ASP CB C 40.320 0.300 1 938 89 89 ASP N N 120.320 0.300 1 939 90 90 LEU H H 7.732 0.030 1 940 90 90 LEU HA H 3.818 0.030 1 941 90 90 LEU HB2 H 1.672 0.030 2 942 90 90 LEU HB3 H 0.377 0.030 2 943 90 90 LEU HD1 H 0.487 0.030 1 944 90 90 LEU HD2 H 0.157 0.030 1 945 90 90 LEU HG H 1.062 0.030 1 946 90 90 LEU C C 177.674 0.300 1 947 90 90 LEU CA C 56.523 0.300 1 948 90 90 LEU CB C 40.548 0.300 1 949 90 90 LEU CD1 C 25.500 0.300 2 950 90 90 LEU CD2 C 22.671 0.300 2 951 90 90 LEU CG C 25.319 0.300 1 952 90 90 LEU N N 113.888 0.300 1 953 91 91 THR H H 7.435 0.030 1 954 91 91 THR HA H 3.901 0.030 1 955 91 91 THR HB H 4.576 0.030 1 956 91 91 THR HG2 H 1.152 0.030 1 957 91 91 THR C C 175.272 0.300 1 958 91 91 THR CA C 64.673 0.300 1 959 91 91 THR CB C 67.790 0.300 1 960 91 91 THR CG2 C 24.095 0.300 1 961 91 91 THR N N 107.476 0.300 1 962 92 92 ASN H H 7.679 0.030 1 963 92 92 ASN HA H 4.709 0.030 1 964 92 92 ASN HB2 H 2.941 0.030 2 965 92 92 ASN HB3 H 2.729 0.030 2 966 92 92 ASN HD21 H 7.510 0.030 2 967 92 92 ASN HD22 H 6.949 0.030 2 968 92 92 ASN C C 175.602 0.300 1 969 92 92 ASN CA C 53.246 0.300 1 970 92 92 ASN CB C 38.565 0.300 1 971 92 92 ASN N N 118.299 0.300 1 972 92 92 ASN ND2 N 110.841 0.300 1 973 93 93 ARG H H 8.163 0.030 1 974 93 93 ARG HA H 4.707 0.030 1 975 93 93 ARG HB2 H 2.118 0.030 2 976 93 93 ARG HB3 H 1.980 0.030 2 977 93 93 ARG HD2 H 3.134 0.030 2 978 93 93 ARG HD3 H 2.868 0.030 2 979 93 93 ARG HG2 H 1.715 0.030 2 980 93 93 ARG HG3 H 1.676 0.030 2 981 93 93 ARG C C 173.743 0.300 1 982 93 93 ARG CA C 53.756 0.300 1 983 93 93 ARG CB C 30.142 0.300 1 984 93 93 ARG CD C 44.455 0.300 1 985 93 93 ARG CG C 26.318 0.300 1 986 93 93 ARG N N 122.398 0.300 1 987 94 94 PRO HA H 4.242 0.030 1 988 94 94 PRO HB2 H 2.288 0.030 2 989 94 94 PRO HB3 H 1.819 0.030 2 990 94 94 PRO HD2 H 3.877 0.030 2 991 94 94 PRO HD3 H 3.626 0.030 2 992 94 94 PRO HG2 H 2.098 0.030 2 993 94 94 PRO HG3 H 1.993 0.030 2 994 94 94 PRO C C 178.246 0.300 1 995 94 94 PRO CA C 63.429 0.300 1 996 94 94 PRO CB C 31.920 0.300 1 997 94 94 PRO CD C 50.316 0.300 1 998 94 94 PRO CG C 27.794 0.300 1 999 95 95 GLY H H 8.390 0.030 1 1000 95 95 GLY HA2 H 3.517 0.030 2 1001 95 95 GLY HA3 H 3.124 0.030 2 1002 95 95 GLY C C 173.484 0.300 1 1003 95 95 GLY CA C 46.273 0.300 1 1004 95 95 GLY N N 108.941 0.300 1 1005 96 96 PHE H H 6.804 0.030 1 1006 96 96 PHE HA H 4.741 0.030 1 1007 96 96 PHE HB2 H 2.864 0.030 2 1008 96 96 PHE HB3 H 2.162 0.030 2 1009 96 96 PHE HD1 H 6.991 0.030 1 1010 96 96 PHE HD2 H 6.991 0.030 1 1011 96 96 PHE HE1 H 7.149 0.030 1 1012 96 96 PHE HE2 H 7.149 0.030 1 1013 96 96 PHE HZ H 7.174 0.030 1 1014 96 96 PHE C C 173.498 0.300 1 1015 96 96 PHE CA C 57.868 0.300 1 1016 96 96 PHE CB C 43.541 0.300 1 1017 96 96 PHE CD1 C 133.178 0.300 1 1018 96 96 PHE CD2 C 133.178 0.300 1 1019 96 96 PHE CE1 C 131.220 0.300 1 1020 96 96 PHE CE2 C 131.220 0.300 1 1021 96 96 PHE CZ C 128.962 0.300 1 1022 96 96 PHE N N 116.249 0.300 1 1023 97 97 TRP H H 8.919 0.030 1 1024 97 97 TRP HA H 4.995 0.030 1 1025 97 97 TRP HB2 H 3.202 0.030 2 1026 97 97 TRP HB3 H 3.161 0.030 2 1027 97 97 TRP HD1 H 7.400 0.030 1 1028 97 97 TRP HE1 H 10.095 0.030 1 1029 97 97 TRP HE3 H 7.609 0.030 1 1030 97 97 TRP HH2 H 7.317 0.030 1 1031 97 97 TRP HZ2 H 7.688 0.030 1 1032 97 97 TRP HZ3 H 6.863 0.030 1 1033 97 97 TRP C C 173.556 0.300 1 1034 97 97 TRP CA C 58.008 0.300 1 1035 97 97 TRP CB C 31.932 0.300 1 1036 97 97 TRP CD1 C 128.186 0.300 1 1037 97 97 TRP CE3 C 121.315 0.300 1 1038 97 97 TRP CH2 C 123.315 0.300 1 1039 97 97 TRP CZ2 C 114.573 0.300 1 1040 97 97 TRP CZ3 C 121.058 0.300 1 1041 97 97 TRP N N 121.648 0.300 1 1042 97 97 TRP NE1 N 130.961 0.300 1 1043 98 98 ALA H H 8.354 0.030 1 1044 98 98 ALA HA H 4.764 0.030 1 1045 98 98 ALA HB H 0.744 0.030 1 1046 98 98 ALA C C 173.985 0.300 1 1047 98 98 ALA CA C 51.975 0.300 1 1048 98 98 ALA CB C 19.806 0.300 1 1049 98 98 ALA N N 123.338 0.300 1 1050 99 99 LYS H H 7.906 0.030 1 1051 99 99 LYS HA H 4.346 0.030 1 1052 99 99 LYS HB2 H 1.317 0.030 1 1053 99 99 LYS HB3 H 1.317 0.030 1 1054 99 99 LYS HD2 H 1.724 0.030 1 1055 99 99 LYS HD3 H 1.724 0.030 1 1056 99 99 LYS HE2 H 3.045 0.030 1 1057 99 99 LYS HE3 H 3.045 0.030 1 1058 99 99 LYS HG2 H 1.468 0.030 1 1059 99 99 LYS HG3 H 1.468 0.030 1 1060 99 99 LYS C C 173.507 0.300 1 1061 99 99 LYS CA C 54.566 0.300 1 1062 99 99 LYS CB C 37.645 0.300 1 1063 99 99 LYS CD C 29.115 0.300 1 1064 99 99 LYS CE C 42.300 0.300 1 1065 99 99 LYS CG C 25.263 0.300 1 1066 99 99 LYS N N 118.811 0.300 1 1067 100 100 ALA H H 8.085 0.030 1 1068 100 100 ALA HA H 4.652 0.030 1 1069 100 100 ALA HB H 1.184 0.030 1 1070 100 100 ALA C C 176.438 0.300 1 1071 100 100 ALA CA C 52.052 0.300 1 1072 100 100 ALA CB C 19.023 0.300 1 1073 100 100 ALA N N 122.174 0.300 1 1074 101 101 LEU H H 8.318 0.030 1 1075 101 101 LEU HA H 4.359 0.030 1 1076 101 101 LEU HB2 H 1.813 0.030 2 1077 101 101 LEU HB3 H 1.371 0.030 2 1078 101 101 LEU HD1 H 1.129 0.030 1 1079 101 101 LEU HD2 H 1.112 0.030 1 1080 101 101 LEU HG H 2.320 0.030 1 1081 101 101 LEU C C 176.203 0.300 1 1082 101 101 LEU CA C 53.123 0.300 1 1083 101 101 LEU CB C 44.437 0.300 1 1084 101 101 LEU CD1 C 28.450 0.300 2 1085 101 101 LEU CD2 C 24.575 0.300 2 1086 101 101 LEU CG C 26.263 0.300 1 1087 101 101 LEU N N 124.079 0.300 1 1088 102 102 HIS H H 8.594 0.030 1 1089 102 102 HIS HA H 4.104 0.030 1 1090 102 102 HIS HB2 H 3.214 0.030 2 1091 102 102 HIS HB3 H 2.935 0.030 2 1092 102 102 HIS HD2 H 7.050 0.030 1 1093 102 102 HIS HE1 H 7.722 0.030 1 1094 102 102 HIS C C 177.309 0.300 1 1095 102 102 HIS CA C 59.624 0.300 1 1096 102 102 HIS CB C 31.034 0.300 1 1097 102 102 HIS CD2 C 118.225 0.300 1 1098 102 102 HIS CE1 C 138.591 0.300 1 1099 102 102 HIS N N 127.000 0.300 1 1100 103 103 GLU H H 8.822 0.030 1 1101 103 103 GLU HA H 3.928 0.030 1 1102 103 103 GLU HB2 H 1.965 0.030 1 1103 103 103 GLU HB3 H 1.965 0.030 1 1104 103 103 GLU HG2 H 2.248 0.030 1 1105 103 103 GLU HG3 H 2.248 0.030 1 1106 103 103 GLU C C 179.251 0.300 1 1107 103 103 GLU CA C 60.466 0.300 1 1108 103 103 GLU CB C 29.526 0.300 1 1109 103 103 GLU CG C 36.733 0.300 1 1110 103 103 GLU N N 127.527 0.300 1 1111 104 104 GLN H H 10.960 0.030 1 1112 104 104 GLN HA H 4.151 0.030 1 1113 104 104 GLN HB2 H 1.913 0.030 2 1114 104 104 GLN HB3 H 1.802 0.030 2 1115 104 104 GLN HE21 H 6.569 0.030 2 1116 104 104 GLN HE22 H 6.032 0.030 2 1117 104 104 GLN HG2 H 1.620 0.030 2 1118 104 104 GLN HG3 H 1.154 0.030 2 1119 104 104 GLN C C 176.730 0.300 1 1120 104 104 GLN CA C 57.877 0.300 1 1121 104 104 GLN CB C 27.442 0.300 1 1122 104 104 GLN CG C 32.472 0.300 1 1123 104 104 GLN N N 123.040 0.300 1 1124 104 104 GLN NE2 N 109.919 0.300 1 1125 105 105 TYR H H 7.642 0.030 1 1126 105 105 TYR HA H 4.828 0.030 1 1127 105 105 TYR HB2 H 3.617 0.030 2 1128 105 105 TYR HB3 H 2.944 0.030 2 1129 105 105 TYR HD1 H 7.332 0.030 1 1130 105 105 TYR HD2 H 7.332 0.030 1 1131 105 105 TYR HE1 H 7.001 0.030 1 1132 105 105 TYR HE2 H 7.001 0.030 1 1133 105 105 TYR C C 176.630 0.300 1 1134 105 105 TYR CA C 56.519 0.300 1 1135 105 105 TYR CB C 38.660 0.300 1 1136 105 105 TYR CD1 C 132.618 0.300 1 1137 105 105 TYR CD2 C 132.618 0.300 1 1138 105 105 TYR CE1 C 118.366 0.300 1 1139 105 105 TYR CE2 C 118.366 0.300 1 1140 105 105 TYR N N 116.146 0.300 1 1141 106 106 CYS H H 7.738 0.030 1 1142 106 106 CYS HA H 3.828 0.030 1 1143 106 106 CYS HB2 H 3.154 0.030 2 1144 106 106 CYS HB3 H 2.638 0.030 2 1145 106 106 CYS C C 172.454 0.300 1 1146 106 106 CYS CA C 58.204 0.300 1 1147 106 106 CYS CB C 26.019 0.300 1 1148 106 106 CYS N N 121.508 0.300 1 1149 107 107 GLU H H 6.863 0.030 1 1150 107 107 GLU HA H 4.496 0.030 1 1151 107 107 GLU HB2 H 1.975 0.030 2 1152 107 107 GLU HB3 H 1.701 0.030 2 1153 107 107 GLU HG2 H 2.222 0.030 2 1154 107 107 GLU HG3 H 2.106 0.030 2 1155 107 107 GLU C C 175.237 0.300 1 1156 107 107 GLU CA C 54.308 0.300 1 1157 107 107 GLU CB C 32.878 0.300 1 1158 107 107 GLU CG C 36.241 0.300 1 1159 107 107 GLU N N 119.290 0.300 1 1160 108 108 LYS H H 8.790 0.030 1 1161 108 108 LYS HA H 3.816 0.030 1 1162 108 108 LYS HB2 H 1.750 0.030 2 1163 108 108 LYS HB3 H 1.675 0.030 2 1164 108 108 LYS HD2 H 1.796 0.030 2 1165 108 108 LYS HD3 H 1.618 0.030 2 1166 108 108 LYS HE2 H 3.102 0.030 1 1167 108 108 LYS HE3 H 3.102 0.030 1 1168 108 108 LYS HG2 H 1.442 0.030 2 1169 108 108 LYS HG3 H 1.291 0.030 2 1170 108 108 LYS C C 176.521 0.300 1 1171 108 108 LYS CA C 58.553 0.300 1 1172 108 108 LYS CB C 32.625 0.300 1 1173 108 108 LYS CD C 29.416 0.300 1 1174 108 108 LYS CE C 42.329 0.300 1 1175 108 108 LYS CG C 24.887 0.300 1 1176 108 108 LYS N N 123.791 0.300 1 1177 109 109 ASP H H 9.317 0.030 1 1178 109 109 ASP HA H 4.090 0.030 1 1179 109 109 ASP HB2 H 3.273 0.030 2 1180 109 109 ASP HB3 H 2.888 0.030 2 1181 109 109 ASP C C 175.701 0.300 1 1182 109 109 ASP CA C 57.711 0.300 1 1183 109 109 ASP CB C 38.639 0.300 1 1184 109 109 ASP N N 119.365 0.300 1 1185 110 110 ASN H H 8.081 0.030 1 1186 110 110 ASN HA H 5.083 0.030 1 1187 110 110 ASN HB2 H 3.566 0.030 2 1188 110 110 ASN HB3 H 2.565 0.030 2 1189 110 110 ASN HD21 H 7.868 0.030 2 1190 110 110 ASN HD22 H 7.751 0.030 2 1191 110 110 ASN C C 174.569 0.300 1 1192 110 110 ASN CA C 53.174 0.300 1 1193 110 110 ASN CB C 38.525 0.300 1 1194 110 110 ASN N N 119.066 0.300 1 1195 110 110 ASN ND2 N 110.569 0.300 1 1196 111 111 ILE H H 8.371 0.030 1 1197 111 111 ILE HA H 4.759 0.030 1 1198 111 111 ILE HB H 1.764 0.030 1 1199 111 111 ILE HD1 H 0.752 0.030 1 1200 111 111 ILE HG12 H 1.681 0.030 2 1201 111 111 ILE HG13 H 0.731 0.030 2 1202 111 111 ILE HG2 H 0.622 0.030 1 1203 111 111 ILE C C 176.315 0.300 1 1204 111 111 ILE CA C 59.868 0.300 1 1205 111 111 ILE CB C 40.237 0.300 1 1206 111 111 ILE CD1 C 13.504 0.300 1 1207 111 111 ILE CG1 C 27.860 0.300 1 1208 111 111 ILE CG2 C 17.500 0.300 1 1209 111 111 ILE N N 118.051 0.300 1 1210 112 112 LEU H H 9.015 0.030 1 1211 112 112 LEU HA H 5.112 0.030 1 1212 112 112 LEU HB2 H 1.621 0.030 2 1213 112 112 LEU HB3 H 1.315 0.030 2 1214 112 112 LEU HD1 H 0.825 0.030 1 1215 112 112 LEU HD2 H 0.098 0.030 1 1216 112 112 LEU HG H 1.198 0.030 1 1217 112 112 LEU C C 174.657 0.300 1 1218 112 112 LEU CA C 53.550 0.300 1 1219 112 112 LEU CB C 45.094 0.300 1 1220 112 112 LEU CD1 C 24.534 0.300 2 1221 112 112 LEU CD2 C 25.654 0.300 2 1222 112 112 LEU CG C 28.119 0.300 1 1223 112 112 LEU N N 133.094 0.300 1 1224 113 113 TYR H H 8.726 0.030 1 1225 113 113 TYR HA H 6.700 0.030 1 1226 113 113 TYR HB2 H 2.936 0.030 2 1227 113 113 TYR HB3 H 2.771 0.030 2 1228 113 113 TYR HD1 H 6.926 0.030 1 1229 113 113 TYR HD2 H 6.926 0.030 1 1230 113 113 TYR HE1 H 6.450 0.030 1 1231 113 113 TYR HE2 H 6.450 0.030 1 1232 113 113 TYR C C 174.027 0.300 1 1233 113 113 TYR CA C 54.931 0.300 1 1234 113 113 TYR CB C 43.190 0.300 1 1235 113 113 TYR CD1 C 133.093 0.300 1 1236 113 113 TYR CD2 C 133.093 0.300 1 1237 113 113 TYR CE1 C 117.162 0.300 1 1238 113 113 TYR CE2 C 117.162 0.300 1 1239 113 113 TYR N N 123.930 0.300 1 1240 114 114 TYR H H 9.148 0.030 1 1241 114 114 TYR HA H 5.864 0.030 1 1242 114 114 TYR HB2 H 3.333 0.030 2 1243 114 114 TYR HB3 H 3.036 0.030 2 1244 114 114 TYR HD1 H 6.676 0.030 1 1245 114 114 TYR HD2 H 6.676 0.030 1 1246 114 114 TYR HE1 H 5.980 0.030 1 1247 114 114 TYR HE2 H 5.980 0.030 1 1248 114 114 TYR C C 172.912 0.300 1 1249 114 114 TYR CA C 56.706 0.300 1 1250 114 114 TYR CB C 40.907 0.300 1 1251 114 114 TYR CD1 C 133.972 0.300 1 1252 114 114 TYR CD2 C 133.972 0.300 1 1253 114 114 TYR CE1 C 117.713 0.300 1 1254 114 114 TYR CE2 C 117.713 0.300 1 1255 114 114 TYR N N 115.208 0.300 1 1256 115 115 TYR H H 8.860 0.030 1 1257 115 115 TYR HA H 5.048 0.030 1 1258 115 115 TYR HB2 H 3.266 0.030 2 1259 115 115 TYR HB3 H 2.586 0.030 2 1260 115 115 TYR HD1 H 6.699 0.030 1 1261 115 115 TYR HD2 H 6.699 0.030 1 1262 115 115 TYR HE1 H 6.750 0.030 1 1263 115 115 TYR HE2 H 6.750 0.030 1 1264 115 115 TYR C C 171.719 0.300 1 1265 115 115 TYR CA C 56.396 0.300 1 1266 115 115 TYR CB C 40.745 0.300 1 1267 115 115 TYR CD1 C 133.074 0.300 1 1268 115 115 TYR CD2 C 133.074 0.300 1 1269 115 115 TYR CE1 C 117.893 0.300 1 1270 115 115 TYR CE2 C 117.893 0.300 1 1271 115 115 TYR N N 112.966 0.300 1 1272 116 116 VAL H H 9.194 0.030 1 1273 116 116 VAL HA H 5.396 0.030 1 1274 116 116 VAL HB H 1.244 0.030 1 1275 116 116 VAL HG1 H 0.494 0.030 1 1276 116 116 VAL HG2 H 0.257 0.030 1 1277 116 116 VAL C C 173.916 0.300 1 1278 116 116 VAL CA C 57.245 0.300 1 1279 116 116 VAL CB C 33.894 0.300 1 1280 116 116 VAL CG1 C 21.018 0.300 2 1281 116 116 VAL CG2 C 18.224 0.300 2 1282 116 116 VAL N N 119.772 0.300 1 1283 117 117 ASN H H 8.617 0.030 1 1284 117 117 ASN HA H 5.209 0.030 1 1285 117 117 ASN HB2 H 3.583 0.030 2 1286 117 117 ASN HB3 H 2.840 0.030 2 1287 117 117 ASN HD21 H 7.625 0.030 2 1288 117 117 ASN HD22 H 7.510 0.030 2 1289 117 117 ASN C C 177.217 0.300 1 1290 117 117 ASN CA C 50.334 0.300 1 1291 117 117 ASN CB C 39.922 0.300 1 1292 117 117 ASN N N 126.000 0.300 1 1293 117 117 ASN ND2 N 110.455 0.300 1 1294 118 118 GLY H H 8.602 0.030 1 1295 118 118 GLY HA2 H 3.797 0.030 2 1296 118 118 GLY HA3 H 3.675 0.030 2 1297 118 118 GLY C C 174.799 0.300 1 1298 118 118 GLY CA C 46.930 0.300 1 1299 118 118 GLY N N 103.457 0.300 1 1300 119 119 ALA H H 7.515 0.030 1 1301 119 119 ALA HA H 4.350 0.030 1 1302 119 119 ALA HB H 1.367 0.030 1 1303 119 119 ALA C C 178.403 0.300 1 1304 119 119 ALA CA C 51.713 0.300 1 1305 119 119 ALA CB C 18.979 0.300 1 1306 119 119 ALA N N 121.144 0.300 1 1307 120 120 GLY H H 8.141 0.030 1 1308 120 120 GLY HA2 H 4.202 0.030 2 1309 120 120 GLY HA3 H 3.018 0.030 2 1310 120 120 GLY C C 172.555 0.300 1 1311 120 120 GLY CA C 46.099 0.300 1 1312 120 120 GLY N N 108.861 0.300 1 1313 121 121 ASP H H 7.655 0.030 1 1314 121 121 ASP HA H 4.977 0.030 1 1315 121 121 ASP HB2 H 2.588 0.030 2 1316 121 121 ASP HB3 H 2.414 0.030 2 1317 121 121 ASP C C 174.868 0.300 1 1318 121 121 ASP CA C 53.019 0.300 1 1319 121 121 ASP CB C 41.360 0.300 1 1320 121 121 ASP N N 118.677 0.300 1 1321 122 122 VAL H H 8.725 0.030 1 1322 122 122 VAL HA H 5.084 0.030 1 1323 122 122 VAL HB H 2.040 0.030 1 1324 122 122 VAL HG1 H 1.109 0.030 1 1325 122 122 VAL HG2 H 0.925 0.030 1 1326 122 122 VAL C C 174.456 0.300 1 1327 122 122 VAL CA C 60.580 0.300 1 1328 122 122 VAL CB C 32.280 0.300 1 1329 122 122 VAL CG1 C 22.152 0.300 2 1330 122 122 VAL CG2 C 23.039 0.300 2 1331 122 122 VAL N N 119.866 0.300 1 1332 123 123 ILE H H 8.281 0.030 1 1333 123 123 ILE HA H 4.670 0.030 1 1334 123 123 ILE HB H 0.628 0.030 1 1335 123 123 ILE HD1 H 0.739 0.030 1 1336 123 123 ILE HG12 H 1.207 0.030 2 1337 123 123 ILE HG13 H 1.066 0.030 2 1338 123 123 ILE HG2 H 0.756 0.030 1 1339 123 123 ILE C C 174.403 0.300 1 1340 123 123 ILE CA C 59.470 0.300 1 1341 123 123 ILE CB C 39.110 0.300 1 1342 123 123 ILE CD1 C 13.961 0.300 1 1343 123 123 ILE CG1 C 30.300 0.300 1 1344 123 123 ILE CG2 C 19.088 0.300 1 1345 123 123 ILE N N 132.263 0.300 1 1346 124 124 TYR H H 8.649 0.030 1 1347 124 124 TYR HA H 5.780 0.030 1 1348 124 124 TYR HB2 H 3.273 0.030 2 1349 124 124 TYR HB3 H 2.830 0.030 2 1350 124 124 TYR HD1 H 6.857 0.030 1 1351 124 124 TYR HD2 H 6.857 0.030 1 1352 124 124 TYR HE1 H 6.353 0.030 1 1353 124 124 TYR HE2 H 6.353 0.030 1 1354 124 124 TYR C C 173.112 0.300 1 1355 124 124 TYR CA C 54.048 0.300 1 1356 124 124 TYR CB C 44.200 0.300 1 1357 124 124 TYR CD1 C 133.097 0.300 1 1358 124 124 TYR CD2 C 133.097 0.300 1 1359 124 124 TYR CE1 C 117.982 0.300 1 1360 124 124 TYR CE2 C 117.982 0.300 1 1361 124 124 TYR N N 122.098 0.300 1 1362 125 125 GLY H H 8.364 0.030 1 1363 125 125 GLY HA2 H 3.670 0.030 2 1364 125 125 GLY HA3 H 3.345 0.030 2 1365 125 125 GLY C C 170.381 0.300 1 1366 125 125 GLY CA C 45.676 0.300 1 1367 125 125 GLY N N 107.489 0.300 1 1368 126 126 ILE H H 7.835 0.030 1 1369 126 126 ILE HA H 5.088 0.030 1 1370 126 126 ILE HB H 1.533 0.030 1 1371 126 126 ILE HD1 H 0.910 0.030 1 1372 126 126 ILE HG12 H 1.021 0.030 2 1373 126 126 ILE HG13 H 0.738 0.030 2 1374 126 126 ILE HG2 H 0.811 0.030 1 1375 126 126 ILE C C 176.887 0.300 1 1376 126 126 ILE CA C 56.335 0.300 1 1377 126 126 ILE CB C 39.001 0.300 1 1378 126 126 ILE CD1 C 10.851 0.300 1 1379 126 126 ILE CG1 C 24.503 0.300 1 1380 126 126 ILE CG2 C 16.379 0.300 1 1381 126 126 ILE N N 116.673 0.300 1 1382 127 127 ASN H H 10.030 0.030 1 1383 127 127 ASN HA H 4.411 0.030 1 1384 127 127 ASN HB2 H 3.105 0.030 2 1385 127 127 ASN HB3 H 2.950 0.030 2 1386 127 127 ASN HD21 H 7.828 0.030 2 1387 127 127 ASN HD22 H 6.643 0.030 2 1388 127 127 ASN C C 174.678 0.300 1 1389 127 127 ASN CA C 54.767 0.300 1 1390 127 127 ASN CB C 36.123 0.300 1 1391 127 127 ASN N N 129.573 0.300 1 1392 127 127 ASN ND2 N 112.504 0.300 1 1393 128 128 ASN H H 9.047 0.030 1 1394 128 128 ASN HA H 4.388 0.030 1 1395 128 128 ASN HB2 H 3.048 0.030 2 1396 128 128 ASN HB3 H 2.813 0.030 2 1397 128 128 ASN HD21 H 7.529 0.030 2 1398 128 128 ASN HD22 H 6.803 0.030 2 1399 128 128 ASN C C 173.942 0.300 1 1400 128 128 ASN CA C 54.767 0.300 1 1401 128 128 ASN CB C 38.373 0.300 1 1402 128 128 ASN N N 111.626 0.300 1 1403 128 128 ASN ND2 N 112.484 0.300 1 1404 129 129 GLU H H 8.022 0.030 1 1405 129 129 GLU HA H 4.623 0.030 1 1406 129 129 GLU HB2 H 2.012 0.030 2 1407 129 129 GLU HB3 H 1.946 0.030 2 1408 129 129 GLU HG2 H 2.308 0.030 2 1409 129 129 GLU HG3 H 2.062 0.030 2 1410 129 129 GLU C C 174.530 0.300 1 1411 129 129 GLU CA C 55.159 0.300 1 1412 129 129 GLU CB C 31.736 0.300 1 1413 129 129 GLU CG C 36.335 0.300 1 1414 129 129 GLU N N 120.732 0.300 1 1415 130 130 GLU H H 8.759 0.030 1 1416 130 130 GLU HA H 4.002 0.030 1 1417 130 130 GLU HB2 H 2.033 0.030 2 1418 130 130 GLU HB3 H 1.958 0.030 2 1419 130 130 GLU HG2 H 2.081 0.030 2 1420 130 130 GLU HG3 H 1.987 0.030 2 1421 130 130 GLU C C 176.755 0.300 1 1422 130 130 GLU CA C 58.859 0.300 1 1423 130 130 GLU CB C 31.104 0.300 1 1424 130 130 GLU CG C 37.811 0.300 1 1425 130 130 GLU N N 127.979 0.300 1 1426 131 131 LYS H H 9.235 0.030 1 1427 131 131 LYS HA H 4.488 0.030 1 1428 131 131 LYS HB2 H 1.406 0.030 2 1429 131 131 LYS HB3 H 0.208 0.030 2 1430 131 131 LYS HD2 H 1.507 0.030 2 1431 131 131 LYS HD3 H 1.432 0.030 2 1432 131 131 LYS HE2 H 2.599 0.030 2 1433 131 131 LYS HE3 H 2.530 0.030 2 1434 131 131 LYS HG2 H 1.010 0.030 2 1435 131 131 LYS HG3 H 0.739 0.030 2 1436 131 131 LYS C C 176.764 0.300 1 1437 131 131 LYS CA C 54.051 0.300 1 1438 131 131 LYS CB C 31.547 0.300 1 1439 131 131 LYS CD C 27.941 0.300 1 1440 131 131 LYS CE C 42.822 0.300 1 1441 131 131 LYS CG C 24.282 0.300 1 1442 131 131 LYS N N 124.878 0.300 1 1443 132 132 GLY H H 7.022 0.030 1 1444 132 132 GLY HA2 H 4.473 0.030 2 1445 132 132 GLY HA3 H 3.888 0.030 2 1446 132 132 GLY C C 171.292 0.300 1 1447 132 132 GLY CA C 44.645 0.300 1 1448 132 132 GLY N N 105.865 0.300 1 1449 133 133 VAL H H 8.390 0.030 1 1450 133 133 VAL HA H 4.693 0.030 1 1451 133 133 VAL HB H 1.893 0.030 1 1452 133 133 VAL HG1 H 0.915 0.030 1 1453 133 133 VAL HG2 H 0.806 0.030 1 1454 133 133 VAL C C 177.613 0.300 1 1455 133 133 VAL CA C 62.034 0.300 1 1456 133 133 VAL CB C 32.707 0.300 1 1457 133 133 VAL CG1 C 21.728 0.300 2 1458 133 133 VAL CG2 C 22.110 0.300 2 1459 133 133 VAL N N 120.077 0.300 1 1460 134 134 ILE H H 9.258 0.030 1 1461 134 134 ILE HA H 4.709 0.030 1 1462 134 134 ILE HB H 1.769 0.030 1 1463 134 134 ILE HD1 H 0.300 0.030 1 1464 134 134 ILE HG12 H 0.717 0.030 2 1465 134 134 ILE HG13 H 1.373 0.030 2 1466 134 134 ILE HG2 H 0.656 0.030 1 1467 134 134 ILE C C 173.241 0.300 1 1468 134 134 ILE CA C 59.934 0.300 1 1469 134 134 ILE CB C 40.831 0.300 1 1470 134 134 ILE CD1 C 13.426 0.300 1 1471 134 134 ILE CG1 C 29.621 0.300 1 1472 134 134 ILE CG2 C 15.667 0.300 1 1473 134 134 ILE N N 126.418 0.300 1 1474 135 135 LEU H H 7.217 0.030 1 1475 135 135 LEU HA H 4.804 0.030 1 1476 135 135 LEU HB2 H 1.468 0.030 1 1477 135 135 LEU HB3 H 1.468 0.030 1 1478 135 135 LEU HD1 H 0.965 0.030 1 1479 135 135 LEU HD2 H 0.746 0.030 1 1480 135 135 LEU HG H 1.430 0.030 1 1481 135 135 LEU C C 173.884 0.300 1 1482 135 135 LEU CA C 53.685 0.300 1 1483 135 135 LEU CB C 48.680 0.300 1 1484 135 135 LEU CD1 C 25.118 0.300 2 1485 135 135 LEU CD2 C 25.678 0.300 2 1486 135 135 LEU CG C 26.820 0.300 1 1487 135 135 LEU N N 121.486 0.300 1 1488 136 136 THR H H 8.050 0.030 1 1489 136 136 THR HA H 5.026 0.030 1 1490 136 136 THR HB H 4.101 0.030 1 1491 136 136 THR HG2 H 1.042 0.030 1 1492 136 136 THR C C 173.881 0.300 1 1493 136 136 THR CA C 59.944 0.300 1 1494 136 136 THR CB C 71.922 0.300 1 1495 136 136 THR CG2 C 21.285 0.300 1 1496 136 136 THR N N 110.248 0.300 1 1497 137 137 GLY H H 8.647 0.030 1 1498 137 137 GLY HA2 H 3.942 0.030 2 1499 137 137 GLY HA3 H 3.605 0.030 2 1500 137 137 GLY C C 174.514 0.300 1 1501 137 137 GLY CA C 45.545 0.300 1 1502 137 137 GLY N N 107.874 0.300 1 1503 138 138 ILE H H 8.200 0.030 1 1504 138 138 ILE HA H 1.504 0.030 1 1505 138 138 ILE HB H 1.136 0.030 1 1506 138 138 ILE HD1 H 0.341 0.030 1 1507 138 138 ILE HG12 H 0.692 0.030 2 1508 138 138 ILE HG13 H 0.511 0.030 2 1509 138 138 ILE HG2 H -0.167 0.030 1 1510 138 138 ILE C C 175.417 0.300 1 1511 138 138 ILE CA C 61.575 0.300 1 1512 138 138 ILE CB C 35.252 0.300 1 1513 138 138 ILE CD1 C 14.548 0.300 1 1514 138 138 ILE CG1 C 31.006 0.300 1 1515 138 138 ILE CG2 C 20.583 0.300 1 1516 138 138 ILE N N 123.118 0.300 1 1517 139 139 ASP H H 5.172 0.030 1 1518 139 139 ASP HA H 4.410 0.030 1 1519 139 139 ASP HB2 H 3.061 0.030 2 1520 139 139 ASP HB3 H 2.860 0.030 2 1521 139 139 ASP C C 175.210 0.300 1 1522 139 139 ASP CA C 53.651 0.300 1 1523 139 139 ASP CB C 40.754 0.300 1 1524 139 139 ASP N N 124.500 0.300 1 1525 140 140 THR H H 7.678 0.030 1 1526 140 140 THR HA H 4.027 0.030 1 1527 140 140 THR HB H 4.449 0.030 1 1528 140 140 THR HG2 H 0.923 0.030 1 1529 140 140 THR C C 175.606 0.300 1 1530 140 140 THR CA C 61.171 0.300 1 1531 140 140 THR CB C 68.194 0.300 1 1532 140 140 THR CG2 C 21.449 0.300 1 1533 140 140 THR N N 115.034 0.300 1 1534 141 141 ARG H H 8.035 0.030 1 1535 141 141 ARG HA H 4.076 0.030 1 1536 141 141 ARG HB2 H 1.952 0.030 2 1537 141 141 ARG HB3 H 1.876 0.030 2 1538 141 141 ARG HD2 H 3.230 0.030 2 1539 141 141 ARG HD3 H 3.140 0.030 2 1540 141 141 ARG HG2 H 1.727 0.030 2 1541 141 141 ARG HG3 H 1.665 0.030 2 1542 141 141 ARG C C 176.804 0.300 1 1543 141 141 ARG CA C 58.000 0.300 1 1544 141 141 ARG CB C 30.562 0.300 1 1545 141 141 ARG CD C 43.390 0.300 1 1546 141 141 ARG CG C 27.037 0.300 1 1547 141 141 ARG N N 120.224 0.300 1 1548 142 142 SER H H 7.503 0.030 1 1549 142 142 SER HA H 4.580 0.030 1 1550 142 142 SER HB2 H 3.889 0.030 2 1551 142 142 SER HB3 H 3.700 0.030 2 1552 142 142 SER C C 173.480 0.300 1 1553 142 142 SER CA C 56.027 0.300 1 1554 142 142 SER CB C 64.114 0.300 1 1555 142 142 SER N N 114.061 0.300 1 1556 143 143 LEU H H 7.821 0.030 1 1557 143 143 LEU HA H 4.078 0.030 1 1558 143 143 LEU HB2 H 1.650 0.030 2 1559 143 143 LEU HB3 H 0.458 0.030 2 1560 143 143 LEU HD1 H 0.916 0.030 1 1561 143 143 LEU HD2 H 0.672 0.030 1 1562 143 143 LEU HG H 1.586 0.030 1 1563 143 143 LEU C C 176.587 0.300 1 1564 143 143 LEU CA C 55.303 0.300 1 1565 143 143 LEU CB C 43.266 0.300 1 1566 143 143 LEU CD1 C 25.711 0.300 2 1567 143 143 LEU CD2 C 22.607 0.300 2 1568 143 143 LEU CG C 27.137 0.300 1 1569 143 143 LEU N N 121.747 0.300 1 1570 144 144 LEU H H 7.631 0.030 1 1571 144 144 LEU HA H 5.350 0.030 1 1572 144 144 LEU HB2 H 1.533 0.030 2 1573 144 144 LEU HB3 H 1.105 0.030 2 1574 144 144 LEU HD1 H 0.244 0.030 1 1575 144 144 LEU HD2 H 0.782 0.030 1 1576 144 144 LEU HG H 1.501 0.030 1 1577 144 144 LEU C C 174.522 0.300 1 1578 144 144 LEU CA C 53.269 0.300 1 1579 144 144 LEU CB C 47.926 0.300 1 1580 144 144 LEU CD1 C 26.748 0.300 2 1581 144 144 LEU CD2 C 23.662 0.300 2 1582 144 144 LEU CG C 26.241 0.300 1 1583 144 144 LEU N N 119.304 0.300 1 1584 145 145 TRP H H 9.718 0.030 1 1585 145 145 TRP HA H 4.835 0.030 1 1586 145 145 TRP HB2 H 3.556 0.030 2 1587 145 145 TRP HB3 H 3.214 0.030 2 1588 145 145 TRP HD1 H 7.451 0.030 1 1589 145 145 TRP HE1 H 10.380 0.030 1 1590 145 145 TRP HE3 H 7.625 0.030 1 1591 145 145 TRP HH2 H 7.083 0.030 1 1592 145 145 TRP HZ2 H 7.279 0.030 1 1593 145 145 TRP HZ3 H 6.620 0.030 1 1594 145 145 TRP C C 177.746 0.300 1 1595 145 145 TRP CA C 58.745 0.300 1 1596 145 145 TRP CB C 33.202 0.300 1 1597 145 145 TRP CD1 C 126.986 0.300 1 1598 145 145 TRP CE3 C 122.750 0.300 1 1599 145 145 TRP CH2 C 124.801 0.300 1 1600 145 145 TRP CZ2 C 113.060 0.300 1 1601 145 145 TRP CZ3 C 121.828 0.300 1 1602 145 145 TRP N N 120.532 0.300 1 1603 145 145 TRP NE1 N 127.835 0.300 1 1604 146 146 THR H H 8.811 0.030 1 1605 146 146 THR HA H 4.973 0.030 1 1606 146 146 THR HB H 4.377 0.030 1 1607 146 146 THR HG2 H 1.343 0.030 1 1608 146 146 THR C C 172.917 0.300 1 1609 146 146 THR CA C 62.493 0.300 1 1610 146 146 THR CB C 69.913 0.300 1 1611 146 146 THR CG2 C 22.154 0.300 1 1612 146 146 THR N N 112.791 0.300 1 1613 147 147 VAL H H 7.570 0.030 1 1614 147 147 VAL HA H 5.028 0.030 1 1615 147 147 VAL HB H 1.854 0.030 1 1616 147 147 VAL HG1 H 0.828 0.030 1 1617 147 147 VAL HG2 H 0.668 0.030 1 1618 147 147 VAL C C 173.770 0.300 1 1619 147 147 VAL CA C 59.548 0.300 1 1620 147 147 VAL CB C 35.008 0.300 1 1621 147 147 VAL CG1 C 22.089 0.300 2 1622 147 147 VAL CG2 C 19.412 0.300 2 1623 147 147 VAL N N 120.193 0.300 1 1624 148 148 ILE H H 8.293 0.030 1 1625 148 148 ILE HA H 4.654 0.030 1 1626 148 148 ILE HB H 1.439 0.030 1 1627 148 148 ILE HD1 H 0.863 0.030 1 1628 148 148 ILE HG12 H 1.683 0.030 2 1629 148 148 ILE HG13 H 1.079 0.030 2 1630 148 148 ILE HG2 H 0.709 0.030 1 1631 148 148 ILE C C 175.014 0.300 1 1632 148 148 ILE CA C 60.925 0.300 1 1633 148 148 ILE CB C 41.672 0.300 1 1634 148 148 ILE CD1 C 14.872 0.300 1 1635 148 148 ILE CG1 C 28.646 0.300 1 1636 148 148 ILE CG2 C 17.898 0.300 1 1637 148 148 ILE N N 124.267 0.300 1 1638 149 149 ASP H H 9.437 0.030 1 1639 149 149 ASP HA H 4.891 0.030 1 1640 149 149 ASP HB2 H 1.933 0.030 2 1641 149 149 ASP HB3 H 2.993 0.030 2 1642 149 149 ASP C C 176.937 0.300 1 1643 149 149 ASP CA C 52.549 0.300 1 1644 149 149 ASP CB C 44.179 0.300 1 1645 149 149 ASP N N 130.760 0.300 1 1646 150 150 ILE H H 8.390 0.030 1 1647 150 150 ILE HA H 3.663 0.030 1 1648 150 150 ILE HB H 1.769 0.030 1 1649 150 150 ILE HD1 H 0.428 0.030 1 1650 150 150 ILE HG12 H 1.661 0.030 2 1651 150 150 ILE HG13 H 0.487 0.030 2 1652 150 150 ILE HG2 H 0.558 0.030 1 1653 150 150 ILE CA C 61.563 0.300 1 1654 150 150 ILE CB C 34.866 0.300 1 1655 150 150 ILE CD1 C 15.543 0.300 1 1656 150 150 ILE CG1 C 27.813 0.300 1 1657 150 150 ILE CG2 C 17.871 0.300 1 1658 150 150 ILE N N 129.958 0.300 1 1659 151 151 TYR H H 7.634 0.030 1 1660 151 151 TYR HA H 3.991 0.030 1 1661 151 151 TYR HB2 H 2.775 0.030 1 1662 151 151 TYR HB3 H 2.775 0.030 1 1663 151 151 TYR HD1 H 7.155 0.030 1 1664 151 151 TYR HD2 H 7.155 0.030 1 1665 151 151 TYR HE1 H 6.837 0.030 1 1666 151 151 TYR HE2 H 6.837 0.030 1 1667 151 151 TYR CA C 57.584 0.300 1 1668 151 151 TYR CD1 C 133.491 0.300 1 1669 151 151 TYR CD2 C 133.491 0.300 1 1670 151 151 TYR CE1 C 117.757 0.300 1 1671 151 151 TYR CE2 C 117.757 0.300 1 1672 151 151 TYR N N 126.997 0.300 1 1673 152 152 GLY H H 7.478 0.030 1 1674 152 152 GLY HA2 H 3.935 0.030 2 1675 152 152 GLY HA3 H 3.603 0.030 2 1676 152 152 GLY C C 175.143 0.300 1 1677 152 152 GLY CA C 45.512 0.300 1 1678 152 152 GLY N N 112.257 0.300 1 1679 153 153 ASN H H 8.826 0.030 1 1680 153 153 ASN HA H 4.686 0.030 1 1681 153 153 ASN HB2 H 3.188 0.030 2 1682 153 153 ASN HB3 H 2.879 0.030 2 1683 153 153 ASN HD21 H 6.478 0.030 2 1684 153 153 ASN HD22 H 7.436 0.030 2 1685 153 153 ASN C C 176.058 0.300 1 1686 153 153 ASN CA C 55.226 0.300 1 1687 153 153 ASN CB C 38.072 0.300 1 1688 153 153 ASN N N 123.253 0.300 1 1689 153 153 ASN ND2 N 109.830 0.300 1 1690 154 154 CYS H H 8.530 0.030 1 1691 154 154 CYS HA H 4.630 0.030 1 1692 154 154 CYS HB2 H 2.658 0.030 1 1693 154 154 CYS HB3 H 2.658 0.030 1 1694 154 154 CYS C C 172.254 0.300 1 1695 154 154 CYS CA C 59.471 0.300 1 1696 154 154 CYS CB C 27.428 0.300 1 1697 154 154 CYS N N 120.989 0.300 1 1698 155 155 THR H H 7.738 0.030 1 1699 155 155 THR HA H 4.280 0.030 1 1700 155 155 THR HB H 4.354 0.030 1 1701 155 155 THR HG2 H 1.140 0.030 1 1702 155 155 THR C C 175.071 0.300 1 1703 155 155 THR CA C 61.508 0.300 1 1704 155 155 THR CB C 69.271 0.300 1 1705 155 155 THR CG2 C 22.808 0.300 1 1706 155 155 THR N N 111.991 0.300 1 1707 156 156 GLY H H 7.783 0.030 1 1708 156 156 GLY HA2 H 5.265 0.030 2 1709 156 156 GLY HA3 H 3.409 0.030 2 1710 156 156 GLY C C 172.512 0.300 1 1711 156 156 GLY CA C 46.512 0.300 1 1712 156 156 GLY N N 109.947 0.300 1 1713 157 157 ILE H H 8.982 0.030 1 1714 157 157 ILE HA H 5.285 0.030 1 1715 157 157 ILE HB H 1.720 0.030 1 1716 157 157 ILE HD1 H 0.665 0.030 1 1717 157 157 ILE HG12 H 1.408 0.030 2 1718 157 157 ILE HG13 H 0.982 0.030 2 1719 157 157 ILE HG2 H 0.794 0.030 1 1720 157 157 ILE C C 172.210 0.300 1 1721 157 157 ILE CA C 58.618 0.300 1 1722 157 157 ILE CB C 41.622 0.300 1 1723 157 157 ILE CD1 C 14.088 0.300 1 1724 157 157 ILE CG1 C 25.655 0.300 1 1725 157 157 ILE CG2 C 18.792 0.300 1 1726 157 157 ILE N N 120.641 0.300 1 1727 158 158 GLU H H 8.507 0.030 1 1728 158 158 GLU HA H 5.800 0.030 1 1729 158 158 GLU HB2 H 2.020 0.030 2 1730 158 158 GLU HB3 H 1.780 0.030 2 1731 158 158 GLU HG2 H 2.219 0.030 2 1732 158 158 GLU HG3 H 2.130 0.030 2 1733 158 158 GLU C C 177.265 0.300 1 1734 158 158 GLU CA C 53.072 0.300 1 1735 158 158 GLU CB C 35.410 0.300 1 1736 158 158 GLU CG C 35.665 0.300 1 1737 158 158 GLU N N 123.723 0.300 1 1738 159 159 PHE H H 9.148 0.030 1 1739 159 159 PHE HA H 5.306 0.030 1 1740 159 159 PHE HB2 H 2.970 0.030 2 1741 159 159 PHE HB3 H 2.726 0.030 2 1742 159 159 PHE HD1 H 6.565 0.030 1 1743 159 159 PHE HD2 H 6.565 0.030 1 1744 159 159 PHE HE1 H 6.152 0.030 1 1745 159 159 PHE HE2 H 6.152 0.030 1 1746 159 159 PHE HZ H 6.553 0.030 1 1747 159 159 PHE C C 176.609 0.300 1 1748 159 159 PHE CA C 56.814 0.300 1 1749 159 159 PHE CB C 40.924 0.300 1 1750 159 159 PHE CD1 C 130.288 0.300 1 1751 159 159 PHE CD2 C 130.288 0.300 1 1752 159 159 PHE CE1 C 130.249 0.300 1 1753 159 159 PHE CE2 C 130.249 0.300 1 1754 159 159 PHE CZ C 127.314 0.300 1 1755 159 159 PHE N N 125.287 0.300 1 1756 160 160 LEU H H 8.401 0.030 1 1757 160 160 LEU HA H 4.678 0.030 1 1758 160 160 LEU HB2 H 1.427 0.030 2 1759 160 160 LEU HB3 H 1.289 0.030 2 1760 160 160 LEU HD1 H 0.469 0.030 1 1761 160 160 LEU HD2 H 0.666 0.030 1 1762 160 160 LEU HG H 1.531 0.030 1 1763 160 160 LEU C C 176.473 0.300 1 1764 160 160 LEU CA C 52.587 0.300 1 1765 160 160 LEU CB C 43.936 0.300 1 1766 160 160 LEU CD1 C 26.489 0.300 2 1767 160 160 LEU CD2 C 22.159 0.300 2 1768 160 160 LEU CG C 26.464 0.300 1 1769 160 160 LEU N N 121.752 0.300 1 1770 161 161 ASP H H 8.547 0.030 1 1771 161 161 ASP HA H 4.589 0.030 1 1772 161 161 ASP HB2 H 2.961 0.030 2 1773 161 161 ASP HB3 H 2.559 0.030 2 1774 161 161 ASP C C 177.356 0.300 1 1775 161 161 ASP CA C 53.806 0.300 1 1776 161 161 ASP CB C 41.040 0.300 1 1777 161 161 ASP N N 120.004 0.300 1 1778 162 162 SER H H 8.876 0.030 1 1779 162 162 SER HA H 4.292 0.030 1 1780 162 162 SER HB2 H 4.031 0.030 2 1781 162 162 SER HB3 H 3.976 0.030 2 1782 162 162 SER C C 175.621 0.300 1 1783 162 162 SER CA C 60.542 0.300 1 1784 162 162 SER CB C 63.760 0.300 1 1785 162 162 SER N N 124.081 0.300 1 1786 163 163 ARG H H 8.418 0.030 1 1787 163 163 ARG HA H 4.086 0.030 1 1788 163 163 ARG HB2 H 1.814 0.030 1 1789 163 163 ARG HB3 H 1.814 0.030 1 1790 163 163 ARG HD2 H 3.171 0.030 1 1791 163 163 ARG HD3 H 3.171 0.030 1 1792 163 163 ARG HG2 H 1.648 0.030 1 1793 163 163 ARG HG3 H 1.648 0.030 1 1794 163 163 ARG C C 177.582 0.300 1 1795 163 163 ARG CA C 58.162 0.300 1 1796 163 163 ARG CB C 29.888 0.300 1 1797 163 163 ARG CD C 43.225 0.300 1 1798 163 163 ARG CG C 27.110 0.300 1 1799 163 163 ARG N N 121.150 0.300 1 1800 164 164 ILE H H 7.415 0.030 1 1801 164 164 ILE HA H 3.912 0.030 1 1802 164 164 ILE HB H 1.769 0.030 1 1803 164 164 ILE HD1 H 0.794 0.030 1 1804 164 164 ILE HG12 H 1.225 0.030 2 1805 164 164 ILE HG13 H 1.057 0.030 2 1806 164 164 ILE HG2 H 0.514 0.030 1 1807 164 164 ILE C C 176.652 0.300 1 1808 164 164 ILE CA C 62.209 0.300 1 1809 164 164 ILE CB C 38.497 0.300 1 1810 164 164 ILE CD1 C 13.068 0.300 1 1811 164 164 ILE CG1 C 27.374 0.300 1 1812 164 164 ILE CG2 C 16.981 0.300 1 1813 164 164 ILE N N 115.767 0.300 1 1814 165 165 TYR H H 7.437 0.030 1 1815 165 165 TYR HA H 4.284 0.030 1 1816 165 165 TYR HB2 H 2.974 0.030 2 1817 165 165 TYR HB3 H 2.543 0.030 2 1818 165 165 TYR HD1 H 7.098 0.030 1 1819 165 165 TYR HD2 H 7.098 0.030 1 1820 165 165 TYR HE1 H 6.717 0.030 1 1821 165 165 TYR HE2 H 6.717 0.030 1 1822 165 165 TYR C C 175.363 0.300 1 1823 165 165 TYR CA C 59.389 0.300 1 1824 165 165 TYR CB C 39.209 0.300 1 1825 165 165 TYR CD1 C 133.338 0.300 1 1826 165 165 TYR CD2 C 133.338 0.300 1 1827 165 165 TYR CE1 C 118.173 0.300 1 1828 165 165 TYR CE2 C 118.173 0.300 1 1829 165 165 TYR N N 118.524 0.300 1 1830 166 166 MET H H 7.695 0.030 1 1831 166 166 MET HA H 4.311 0.030 1 1832 166 166 MET HB2 H 1.760 0.030 1 1833 166 166 MET HB3 H 1.760 0.030 1 1834 166 166 MET HE H 1.649 0.030 1 1835 166 166 MET HG2 H 2.217 0.030 1 1836 166 166 MET HG3 H 2.217 0.030 1 1837 166 166 MET C C 175.357 0.300 1 1838 166 166 MET CA C 55.151 0.300 1 1839 166 166 MET CB C 32.326 0.300 1 1840 166 166 MET CE C 16.412 0.300 1 1841 166 166 MET CG C 31.801 0.300 1 1842 166 166 MET N N 118.539 0.300 1 1843 167 167 TYR H H 7.773 0.030 1 1844 167 167 TYR HA H 4.488 0.030 1 1845 167 167 TYR HB2 H 2.999 0.030 2 1846 167 167 TYR HB3 H 2.789 0.030 2 1847 167 167 TYR HD1 H 6.995 0.030 1 1848 167 167 TYR HD2 H 6.995 0.030 1 1849 167 167 TYR HE1 H 6.726 0.030 1 1850 167 167 TYR HE2 H 6.726 0.030 1 1851 167 167 TYR C C 174.766 0.300 1 1852 167 167 TYR CA C 57.579 0.300 1 1853 167 167 TYR CB C 38.217 0.300 1 1854 167 167 TYR CD1 C 133.125 0.300 1 1855 167 167 TYR CD2 C 133.125 0.300 1 1856 167 167 TYR CE1 C 118.217 0.300 1 1857 167 167 TYR CE2 C 118.217 0.300 1 1858 167 167 TYR N N 120.295 0.300 1 1859 168 168 GLN H H 7.657 0.030 1 1860 168 168 GLN HA H 4.058 0.030 1 1861 168 168 GLN HB2 H 2.007 0.030 2 1862 168 168 GLN HB3 H 1.813 0.030 2 1863 168 168 GLN HE21 H 7.381 0.030 2 1864 168 168 GLN HE22 H 6.700 0.030 2 1865 168 168 GLN HG2 H 2.153 0.030 1 1866 168 168 GLN HG3 H 2.153 0.030 1 1867 168 168 GLN C C 180.144 0.300 1 1868 168 168 GLN CA C 57.234 0.300 1 1869 168 168 GLN CB C 30.572 0.300 1 1870 168 168 GLN CG C 34.180 0.300 1 1871 168 168 GLN N N 125.683 0.300 1 1872 168 168 GLN NE2 N 112.058 0.300 1 stop_ save_