data_11203 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the core domain of calcyclin binding protein; siah-interacting protein (SIP) ; _BMRB_accession_number 11203 _BMRB_flat_file_name bmr11203.str _Entry_type original _Submission_date 2010-07-22 _Accession_date 2010-07-23 _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 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" 740 "13C chemical shifts" 565 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-21 original author . stop_ _Original_release_date 2011-07-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the core domain of calcyclin binding protein; siah-interacting protein (SIP) ; _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'Calcyclin-binding protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CS 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 'CS domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; GSSGSSGVVAPITTGYTVKI SNYGWDQSDKFVKIYITLTG VHQVPTENVQVHFTERSFDL LVKNLNGKSYSMIVNNLLKP ISVEGSSKKVKTDTVLILCR KKVENTRWDYLTQVEKECKE KSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 VAL 10 ALA 11 PRO 12 ILE 13 THR 14 THR 15 GLY 16 TYR 17 THR 18 VAL 19 LYS 20 ILE 21 SER 22 ASN 23 TYR 24 GLY 25 TRP 26 ASP 27 GLN 28 SER 29 ASP 30 LYS 31 PHE 32 VAL 33 LYS 34 ILE 35 TYR 36 ILE 37 THR 38 LEU 39 THR 40 GLY 41 VAL 42 HIS 43 GLN 44 VAL 45 PRO 46 THR 47 GLU 48 ASN 49 VAL 50 GLN 51 VAL 52 HIS 53 PHE 54 THR 55 GLU 56 ARG 57 SER 58 PHE 59 ASP 60 LEU 61 LEU 62 VAL 63 LYS 64 ASN 65 LEU 66 ASN 67 GLY 68 LYS 69 SER 70 TYR 71 SER 72 MET 73 ILE 74 VAL 75 ASN 76 ASN 77 LEU 78 LEU 79 LYS 80 PRO 81 ILE 82 SER 83 VAL 84 GLU 85 GLY 86 SER 87 SER 88 LYS 89 LYS 90 VAL 91 LYS 92 THR 93 ASP 94 THR 95 VAL 96 LEU 97 ILE 98 LEU 99 CYS 100 ARG 101 LYS 102 LYS 103 VAL 104 GLU 105 ASN 106 THR 107 ARG 108 TRP 109 ASP 110 TYR 111 LEU 112 THR 113 GLN 114 VAL 115 GLU 116 LYS 117 GLU 118 CYS 119 LYS 120 GLU 121 LYS 122 SER 123 GLY 124 PRO 125 SER 126 SER 127 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1X5M "Solution Structure Of The Core Domain Of Calcyclin Binding Protein; Siah-Interacting Protein (Sip)" 100.00 127 100.00 100.00 1.04e-85 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 human 9606 Eukaryota Metazoa Homo sapiens 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' 'E. coli' Escherichia coli . plasmid p040329-62 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.98mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.98 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_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 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 0.9296 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 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 Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # 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 $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-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 'CS 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 4.491 0.030 1 2 6 6 SER HB2 H 3.917 0.030 1 3 6 6 SER HB3 H 3.917 0.030 1 4 6 6 SER C C 174.937 0.300 1 5 6 6 SER CA C 58.751 0.300 1 6 6 6 SER CB C 63.909 0.300 1 7 7 7 GLY H H 8.383 0.030 1 8 7 7 GLY HA2 H 3.983 0.030 1 9 7 7 GLY HA3 H 3.983 0.030 1 10 7 7 GLY C C 173.817 0.300 1 11 7 7 GLY CA C 45.283 0.300 1 12 7 7 GLY N N 110.776 0.300 1 13 8 8 VAL H H 7.955 0.030 1 14 8 8 VAL HA H 4.110 0.030 1 15 8 8 VAL HB H 2.010 0.030 1 16 8 8 VAL HG1 H 0.900 0.030 1 17 8 8 VAL HG2 H 0.888 0.030 1 18 8 8 VAL C C 176.149 0.300 1 19 8 8 VAL CA C 62.242 0.300 1 20 8 8 VAL CB C 32.845 0.300 1 21 8 8 VAL CG1 C 20.636 0.300 2 22 8 8 VAL CG2 C 21.140 0.300 2 23 8 8 VAL N N 119.861 0.300 1 24 9 9 VAL H H 8.266 0.030 1 25 9 9 VAL HA H 4.097 0.030 1 26 9 9 VAL HB H 2.008 0.030 1 27 9 9 VAL HG1 H 0.883 0.030 1 28 9 9 VAL HG2 H 0.903 0.030 1 29 9 9 VAL C C 175.347 0.300 1 30 9 9 VAL CA C 62.012 0.300 1 31 9 9 VAL CB C 32.803 0.300 1 32 9 9 VAL CG1 C 21.175 0.300 2 33 9 9 VAL CG2 C 20.620 0.300 2 34 9 9 VAL N N 125.295 0.300 1 35 10 10 ALA H H 8.360 0.030 1 36 10 10 ALA HA H 4.568 0.030 1 37 10 10 ALA HB H 1.327 0.030 1 38 10 10 ALA C C 175.340 0.300 1 39 10 10 ALA CA C 50.349 0.300 1 40 10 10 ALA CB C 18.271 0.300 1 41 10 10 ALA N N 129.856 0.300 1 42 11 11 PRO HA H 4.418 0.030 1 43 11 11 PRO HB2 H 2.246 0.030 2 44 11 11 PRO HB3 H 1.847 0.030 2 45 11 11 PRO HD2 H 3.780 0.030 2 46 11 11 PRO HD3 H 3.618 0.030 2 47 11 11 PRO HG2 H 1.982 0.030 1 48 11 11 PRO HG3 H 1.982 0.030 1 49 11 11 PRO C C 176.855 0.300 1 50 11 11 PRO CA C 62.857 0.300 1 51 11 11 PRO CB C 32.096 0.300 1 52 11 11 PRO CD C 50.514 0.300 1 53 11 11 PRO CG C 27.344 0.300 1 54 12 12 ILE H H 8.251 0.030 1 55 12 12 ILE HA H 4.195 0.030 1 56 12 12 ILE HB H 1.844 0.030 1 57 12 12 ILE HD1 H 0.843 0.030 1 58 12 12 ILE HG12 H 1.488 0.030 2 59 12 12 ILE HG13 H 1.193 0.030 2 60 12 12 ILE HG2 H 0.899 0.030 1 61 12 12 ILE C C 176.748 0.300 1 62 12 12 ILE CA C 61.263 0.300 1 63 12 12 ILE CB C 38.761 0.300 1 64 12 12 ILE CD1 C 13.075 0.300 1 65 12 12 ILE CG1 C 27.387 0.300 1 66 12 12 ILE CG2 C 17.715 0.300 1 67 12 12 ILE N N 120.967 0.300 1 68 13 13 THR H H 8.240 0.030 1 69 13 13 THR HA H 4.433 0.030 1 70 13 13 THR HB H 4.224 0.030 1 71 13 13 THR HG2 H 1.208 0.030 1 72 13 13 THR C C 174.620 0.300 1 73 13 13 THR CA C 61.507 0.300 1 74 13 13 THR CB C 69.840 0.300 1 75 13 13 THR CG2 C 21.277 0.300 1 76 13 13 THR N N 117.940 0.300 1 77 14 14 THR H H 8.112 0.030 1 78 14 14 THR HA H 4.315 0.030 1 79 14 14 THR HB H 4.178 0.030 1 80 14 14 THR HG2 H 1.158 0.030 1 81 14 14 THR C C 174.894 0.300 1 82 14 14 THR CA C 61.876 0.300 1 83 14 14 THR CB C 69.847 0.300 1 84 14 14 THR CG2 C 21.499 0.300 1 85 14 14 THR N N 115.931 0.300 1 86 15 15 GLY H H 8.330 0.030 1 87 15 15 GLY HA2 H 3.907 0.030 1 88 15 15 GLY HA3 H 3.907 0.030 1 89 15 15 GLY C C 173.625 0.300 1 90 15 15 GLY CA C 45.279 0.300 1 91 15 15 GLY N N 110.905 0.300 1 92 16 16 TYR H H 8.035 0.030 1 93 16 16 TYR HA H 4.600 0.030 1 94 16 16 TYR HB2 H 3.026 0.030 2 95 16 16 TYR HB3 H 2.963 0.030 2 96 16 16 TYR HD1 H 7.067 0.030 1 97 16 16 TYR HD2 H 7.067 0.030 1 98 16 16 TYR HE1 H 6.791 0.030 1 99 16 16 TYR HE2 H 6.791 0.030 1 100 16 16 TYR C C 175.522 0.300 1 101 16 16 TYR CA C 57.903 0.300 1 102 16 16 TYR CB C 39.050 0.300 1 103 16 16 TYR CD1 C 133.016 0.300 1 104 16 16 TYR CD2 C 133.016 0.300 1 105 16 16 TYR CE1 C 118.236 0.300 1 106 16 16 TYR CE2 C 118.236 0.300 1 107 16 16 TYR N N 120.144 0.300 1 108 17 17 THR H H 8.006 0.030 1 109 17 17 THR HA H 4.374 0.030 1 110 17 17 THR HB H 3.746 0.030 1 111 17 17 THR HG2 H 0.873 0.030 1 112 17 17 THR C C 173.392 0.300 1 113 17 17 THR CA C 60.919 0.300 1 114 17 17 THR CB C 70.528 0.300 1 115 17 17 THR CG2 C 21.894 0.300 1 116 17 17 THR N N 117.474 0.300 1 117 18 18 VAL H H 8.879 0.030 1 118 18 18 VAL HA H 3.954 0.030 1 119 18 18 VAL HB H 1.696 0.030 1 120 18 18 VAL HG1 H 0.974 0.030 1 121 18 18 VAL HG2 H 0.724 0.030 1 122 18 18 VAL C C 175.267 0.300 1 123 18 18 VAL CA C 61.785 0.300 1 124 18 18 VAL CB C 32.969 0.300 1 125 18 18 VAL CG1 C 21.279 0.300 2 126 18 18 VAL CG2 C 21.239 0.300 2 127 18 18 VAL N N 127.089 0.300 1 128 19 19 LYS H H 8.531 0.030 1 129 19 19 LYS HA H 4.886 0.030 1 130 19 19 LYS HB2 H 1.797 0.030 1 131 19 19 LYS HB3 H 1.797 0.030 1 132 19 19 LYS HD2 H 1.690 0.030 1 133 19 19 LYS HD3 H 1.690 0.030 1 134 19 19 LYS HE2 H 3.000 0.030 2 135 19 19 LYS HG2 H 1.543 0.030 2 136 19 19 LYS HG3 H 1.355 0.030 2 137 19 19 LYS C C 177.384 0.300 1 138 19 19 LYS CA C 55.890 0.300 1 139 19 19 LYS CB C 32.689 0.300 1 140 19 19 LYS CD C 29.221 0.300 1 141 19 19 LYS CE C 42.175 0.300 1 142 19 19 LYS CG C 25.024 0.300 1 143 19 19 LYS N N 127.374 0.300 1 144 20 20 ILE H H 8.796 0.030 1 145 20 20 ILE HA H 4.292 0.030 1 146 20 20 ILE HB H 1.904 0.030 1 147 20 20 ILE HD1 H 0.850 0.030 1 148 20 20 ILE HG12 H 1.248 0.030 2 149 20 20 ILE HG13 H 1.840 0.030 2 150 20 20 ILE HG2 H 1.169 0.030 1 151 20 20 ILE C C 176.062 0.300 1 152 20 20 ILE CA C 61.829 0.300 1 153 20 20 ILE CB C 39.115 0.300 1 154 20 20 ILE CD1 C 14.102 0.300 1 155 20 20 ILE CG1 C 27.799 0.300 1 156 20 20 ILE CG2 C 18.599 0.300 1 157 20 20 ILE N N 126.680 0.300 1 158 21 21 SER H H 8.864 0.030 1 159 21 21 SER HA H 4.815 0.030 1 160 21 21 SER HB2 H 4.009 0.030 2 161 21 21 SER HB3 H 3.854 0.030 2 162 21 21 SER C C 173.591 0.300 1 163 21 21 SER CA C 58.650 0.300 1 164 21 21 SER CB C 65.107 0.300 1 165 21 21 SER N N 119.722 0.300 1 166 22 22 ASN HA H 5.029 0.030 1 167 22 22 ASN HB2 H 2.882 0.030 2 168 22 22 ASN HB3 H 2.794 0.030 2 169 22 22 ASN HD21 H 7.675 0.030 2 170 22 22 ASN HD22 H 6.994 0.030 2 171 22 22 ASN C C 173.075 0.300 1 172 22 22 ASN CA C 53.168 0.300 1 173 22 22 ASN CB C 40.304 0.300 1 174 22 22 ASN ND2 N 113.062 0.300 1 175 23 23 TYR H H 7.704 0.030 1 176 23 23 TYR HA H 5.205 0.030 1 177 23 23 TYR HB2 H 3.068 0.030 1 178 23 23 TYR HB3 H 3.068 0.030 1 179 23 23 TYR HD1 H 6.794 0.030 1 180 23 23 TYR HD2 H 6.794 0.030 1 181 23 23 TYR HE1 H 6.759 0.030 1 182 23 23 TYR HE2 H 6.759 0.030 1 183 23 23 TYR C C 173.881 0.300 1 184 23 23 TYR CA C 56.555 0.300 1 185 23 23 TYR CB C 40.021 0.300 1 186 23 23 TYR CD1 C 133.333 0.300 1 187 23 23 TYR CD2 C 133.333 0.300 1 188 23 23 TYR CE1 C 117.803 0.300 1 189 23 23 TYR CE2 C 117.803 0.300 1 190 23 23 TYR N N 117.589 0.300 1 191 24 24 GLY H H 8.661 0.030 1 192 24 24 GLY HA2 H 4.862 0.030 2 193 24 24 GLY HA3 H 3.935 0.030 2 194 24 24 GLY C C 172.300 0.300 1 195 24 24 GLY CA C 43.939 0.300 1 196 24 24 GLY N N 107.712 0.300 1 197 25 25 TRP H H 8.822 0.030 1 198 25 25 TRP HA H 6.242 0.030 1 199 25 25 TRP HB2 H 3.726 0.030 2 200 25 25 TRP HB3 H 3.342 0.030 2 201 25 25 TRP HD1 H 7.446 0.030 1 202 25 25 TRP HE1 H 10.558 0.030 1 203 25 25 TRP HE3 H 7.531 0.030 1 204 25 25 TRP HH2 H 6.791 0.030 1 205 25 25 TRP HZ2 H 7.405 0.030 1 206 25 25 TRP HZ3 H 6.691 0.030 1 207 25 25 TRP C C 173.798 0.300 1 208 25 25 TRP CA C 56.397 0.300 1 209 25 25 TRP CB C 32.555 0.300 1 210 25 25 TRP CD1 C 126.353 0.300 1 211 25 25 TRP CE3 C 120.660 0.300 1 212 25 25 TRP CH2 C 123.315 0.300 1 213 25 25 TRP CZ2 C 114.115 0.300 1 214 25 25 TRP CZ3 C 120.640 0.300 1 215 25 25 TRP N N 117.787 0.300 1 216 25 25 TRP NE1 N 130.637 0.300 1 217 26 26 ASP H H 9.816 0.030 1 218 26 26 ASP HA H 4.164 0.030 1 219 26 26 ASP HB2 H 2.955 0.030 2 220 26 26 ASP HB3 H 2.783 0.030 2 221 26 26 ASP C C 173.906 0.300 1 222 26 26 ASP CA C 53.234 0.300 1 223 26 26 ASP CB C 42.554 0.300 1 224 26 26 ASP N N 120.769 0.300 1 225 27 27 GLN H H 8.707 0.030 1 226 27 27 GLN HA H 5.451 0.030 1 227 27 27 GLN HB2 H 2.053 0.030 2 228 27 27 GLN HB3 H 2.374 0.030 2 229 27 27 GLN HE21 H 8.739 0.030 2 230 27 27 GLN HE22 H 8.197 0.030 2 231 27 27 GLN HG2 H 2.334 0.030 2 232 27 27 GLN HG3 H 2.046 0.030 2 233 27 27 GLN C C 172.827 0.300 1 234 27 27 GLN CA C 54.634 0.300 1 235 27 27 GLN CB C 33.969 0.300 1 236 27 27 GLN CG C 32.380 0.300 1 237 27 27 GLN N N 112.156 0.300 1 238 27 27 GLN NE2 N 117.196 0.300 1 239 28 28 SER H H 9.709 0.030 1 240 28 28 SER HA H 5.030 0.030 1 241 28 28 SER HB2 H 4.542 0.030 2 242 28 28 SER HB3 H 3.866 0.030 2 243 28 28 SER C C 174.484 0.300 1 244 28 28 SER CA C 55.327 0.300 1 245 28 28 SER CB C 67.597 0.300 1 246 28 28 SER N N 117.733 0.300 1 247 29 29 ASP HA H 4.421 0.030 1 248 29 29 ASP HB2 H 3.061 0.030 2 249 29 29 ASP HB3 H 2.673 0.030 2 250 29 29 ASP C C 176.951 0.300 1 251 29 29 ASP CA C 57.831 0.300 1 252 29 29 ASP CB C 39.943 0.300 1 253 30 30 LYS H H 7.747 0.030 1 254 30 30 LYS HA H 4.351 0.030 1 255 30 30 LYS HB2 H 1.547 0.030 2 256 30 30 LYS HB3 H 1.172 0.030 2 257 30 30 LYS HD2 H 1.537 0.030 2 258 30 30 LYS HD3 H 1.484 0.030 2 259 30 30 LYS HE2 H 2.929 0.030 1 260 30 30 LYS HE3 H 2.929 0.030 1 261 30 30 LYS HG2 H 1.306 0.030 2 262 30 30 LYS HG3 H 1.035 0.030 2 263 30 30 LYS C C 175.722 0.300 1 264 30 30 LYS CA C 57.117 0.300 1 265 30 30 LYS CB C 36.600 0.300 1 266 30 30 LYS CD C 29.299 0.300 1 267 30 30 LYS CE C 42.054 0.300 1 268 30 30 LYS CG C 25.893 0.300 1 269 30 30 LYS N N 113.708 0.300 1 270 31 31 PHE H H 7.594 0.030 1 271 31 31 PHE HA H 5.380 0.030 1 272 31 31 PHE HB2 H 2.631 0.030 2 273 31 31 PHE HB3 H 2.499 0.030 2 274 31 31 PHE HD1 H 6.863 0.030 1 275 31 31 PHE HD2 H 6.863 0.030 1 276 31 31 PHE HE1 H 7.269 0.030 1 277 31 31 PHE HE2 H 7.269 0.030 1 278 31 31 PHE HZ H 7.343 0.030 1 279 31 31 PHE C C 175.139 0.300 1 280 31 31 PHE CA C 57.035 0.300 1 281 31 31 PHE CB C 44.039 0.300 1 282 31 31 PHE CD1 C 131.876 0.300 1 283 31 31 PHE CD2 C 131.876 0.300 1 284 31 31 PHE CE1 C 131.649 0.300 1 285 31 31 PHE CE2 C 131.649 0.300 1 286 31 31 PHE CZ C 130.228 0.300 1 287 31 31 PHE N N 115.214 0.300 1 288 32 32 VAL H H 9.290 0.030 1 289 32 32 VAL HA H 4.142 0.030 1 290 32 32 VAL HB H 1.332 0.030 1 291 32 32 VAL HG1 H 0.652 0.030 1 292 32 32 VAL HG2 H -0.568 0.030 1 293 32 32 VAL C C 173.871 0.300 1 294 32 32 VAL CA C 63.504 0.300 1 295 32 32 VAL CB C 33.200 0.300 1 296 32 32 VAL CG1 C 21.659 0.300 2 297 32 32 VAL CG2 C 20.259 0.300 2 298 32 32 VAL N N 122.577 0.300 1 299 33 33 LYS H H 9.142 0.030 1 300 33 33 LYS HA H 5.127 0.030 1 301 33 33 LYS HB2 H 1.742 0.030 2 302 33 33 LYS HB3 H 1.271 0.030 2 303 33 33 LYS HD2 H 1.562 0.030 2 304 33 33 LYS HD3 H 1.523 0.030 2 305 33 33 LYS HE2 H 2.717 0.030 2 306 33 33 LYS HE3 H 2.609 0.030 2 307 33 33 LYS HG2 H 1.120 0.030 2 308 33 33 LYS HG3 H 0.982 0.030 2 309 33 33 LYS C C 173.911 0.300 1 310 33 33 LYS CA C 55.044 0.300 1 311 33 33 LYS CB C 34.191 0.300 1 312 33 33 LYS CD C 29.710 0.300 1 313 33 33 LYS CE C 42.016 0.300 1 314 33 33 LYS CG C 25.740 0.300 1 315 33 33 LYS N N 128.141 0.300 1 316 34 34 ILE H H 8.974 0.030 1 317 34 34 ILE HA H 4.978 0.030 1 318 34 34 ILE HB H 1.593 0.030 1 319 34 34 ILE HD1 H 0.782 0.030 1 320 34 34 ILE HG12 H 1.355 0.030 2 321 34 34 ILE HG13 H 1.226 0.030 2 322 34 34 ILE HG2 H 0.911 0.030 1 323 34 34 ILE C C 174.361 0.300 1 324 34 34 ILE CA C 60.490 0.300 1 325 34 34 ILE CB C 39.744 0.300 1 326 34 34 ILE CD1 C 16.467 0.300 1 327 34 34 ILE CG1 C 29.902 0.300 1 328 34 34 ILE CG2 C 20.331 0.300 1 329 34 34 ILE N N 123.472 0.300 1 330 35 35 TYR H H 9.113 0.030 1 331 35 35 TYR HA H 4.940 0.030 1 332 35 35 TYR HB2 H 2.803 0.030 2 333 35 35 TYR HB3 H 2.731 0.030 2 334 35 35 TYR HD1 H 6.832 0.030 1 335 35 35 TYR HD2 H 6.832 0.030 1 336 35 35 TYR HE1 H 6.618 0.030 1 337 35 35 TYR HE2 H 6.618 0.030 1 338 35 35 TYR C C 175.773 0.300 1 339 35 35 TYR CA C 56.361 0.300 1 340 35 35 TYR CB C 39.773 0.300 1 341 35 35 TYR CD1 C 133.400 0.300 1 342 35 35 TYR CD2 C 133.400 0.300 1 343 35 35 TYR CE1 C 117.918 0.300 1 344 35 35 TYR CE2 C 117.918 0.300 1 345 35 35 TYR N N 124.804 0.300 1 346 36 36 ILE H H 9.179 0.030 1 347 36 36 ILE HA H 4.536 0.030 1 348 36 36 ILE HB H 1.920 0.030 1 349 36 36 ILE HD1 H 0.812 0.030 1 350 36 36 ILE HG12 H 1.488 0.030 2 351 36 36 ILE HG13 H 1.141 0.030 2 352 36 36 ILE HG2 H 0.900 0.030 1 353 36 36 ILE C C 175.255 0.300 1 354 36 36 ILE CA C 60.609 0.300 1 355 36 36 ILE CB C 41.132 0.300 1 356 36 36 ILE CD1 C 16.330 0.300 1 357 36 36 ILE CG1 C 28.816 0.300 1 358 36 36 ILE CG2 C 19.103 0.300 1 359 36 36 ILE N N 126.043 0.300 1 360 37 37 THR H H 8.855 0.030 1 361 37 37 THR HA H 4.785 0.030 1 362 37 37 THR HB H 4.006 0.030 1 363 37 37 THR HG2 H 1.259 0.030 1 364 37 37 THR C C 173.673 0.300 1 365 37 37 THR CA C 62.992 0.300 1 366 37 37 THR CB C 69.364 0.300 1 367 37 37 THR CG2 C 21.105 0.300 1 368 37 37 THR N N 125.710 0.300 1 369 38 38 LEU H H 8.173 0.030 1 370 38 38 LEU HA H 4.395 0.030 1 371 38 38 LEU HB2 H 1.148 0.030 2 372 38 38 LEU HB3 H 1.068 0.030 2 373 38 38 LEU HD1 H 0.293 0.030 1 374 38 38 LEU HD2 H 0.277 0.030 1 375 38 38 LEU HG H 1.055 0.030 1 376 38 38 LEU C C 174.275 0.300 1 377 38 38 LEU CA C 53.781 0.300 1 378 38 38 LEU CB C 44.345 0.300 1 379 38 38 LEU CD1 C 24.856 0.300 2 380 38 38 LEU CD2 C 23.980 0.300 2 381 38 38 LEU CG C 26.403 0.300 1 382 38 38 LEU N N 131.127 0.300 1 383 39 39 THR H H 8.503 0.030 1 384 39 39 THR HA H 3.808 0.030 1 385 39 39 THR HB H 3.871 0.030 1 386 39 39 THR HG2 H 1.211 0.030 1 387 39 39 THR C C 175.957 0.300 1 388 39 39 THR CA C 65.212 0.300 1 389 39 39 THR CB C 68.748 0.300 1 390 39 39 THR CG2 C 21.892 0.300 1 391 39 39 THR N N 123.231 0.300 1 392 40 40 GLY H H 10.010 0.030 1 393 40 40 GLY HA2 H 4.211 0.030 2 394 40 40 GLY HA3 H 3.562 0.030 2 395 40 40 GLY C C 177.370 0.300 1 396 40 40 GLY CA C 45.748 0.300 1 397 40 40 GLY N N 112.840 0.300 1 398 41 41 VAL H H 8.136 0.030 1 399 41 41 VAL HA H 3.773 0.030 1 400 41 41 VAL HB H 2.049 0.030 1 401 41 41 VAL HG1 H 0.951 0.030 1 402 41 41 VAL HG2 H 1.076 0.030 1 403 41 41 VAL C C 173.659 0.300 1 404 41 41 VAL CA C 64.770 0.300 1 405 41 41 VAL CB C 31.164 0.300 1 406 41 41 VAL CG1 C 22.818 0.300 2 407 41 41 VAL CG2 C 20.389 0.300 2 408 41 41 VAL N N 121.139 0.300 1 409 42 42 HIS H H 8.769 0.030 1 410 42 42 HIS HA H 4.422 0.030 1 411 42 42 HIS HB2 H 3.224 0.030 2 412 42 42 HIS HB3 H 3.002 0.030 2 413 42 42 HIS HD2 H 7.084 0.030 1 414 42 42 HIS HE1 H 8.213 0.030 1 415 42 42 HIS C C 175.696 0.300 1 416 42 42 HIS CA C 57.409 0.300 1 417 42 42 HIS CB C 29.040 0.300 1 418 42 42 HIS CD2 C 118.856 0.300 1 419 42 42 HIS CE1 C 140.963 0.300 1 420 42 42 HIS N N 117.316 0.300 1 421 43 43 GLN H H 7.530 0.030 1 422 43 43 GLN HA H 4.334 0.030 1 423 43 43 GLN HB2 H 2.115 0.030 2 424 43 43 GLN HB3 H 1.839 0.030 2 425 43 43 GLN HE21 H 7.269 0.030 2 426 43 43 GLN HE22 H 6.825 0.030 2 427 43 43 GLN HG2 H 1.860 0.030 2 428 43 43 GLN HG3 H 1.368 0.030 2 429 43 43 GLN C C 176.510 0.300 1 430 43 43 GLN CA C 55.529 0.300 1 431 43 43 GLN CB C 29.016 0.300 1 432 43 43 GLN CG C 33.669 0.300 1 433 43 43 GLN N N 118.096 0.300 1 434 43 43 GLN NE2 N 110.854 0.300 1 435 44 44 VAL H H 6.958 0.030 1 436 44 44 VAL HA H 4.614 0.030 1 437 44 44 VAL HB H 2.361 0.030 1 438 44 44 VAL HG1 H 1.051 0.030 1 439 44 44 VAL HG2 H 0.974 0.030 1 440 44 44 VAL C C 174.002 0.300 1 441 44 44 VAL CA C 59.360 0.300 1 442 44 44 VAL CB C 31.414 0.300 1 443 44 44 VAL CG1 C 22.695 0.300 2 444 44 44 VAL CG2 C 20.191 0.300 2 445 44 44 VAL N N 115.559 0.300 1 446 45 45 PRO HA H 4.439 0.030 1 447 45 45 PRO HB2 H 2.464 0.030 2 448 45 45 PRO HB3 H 1.784 0.030 2 449 45 45 PRO HD2 H 3.926 0.030 2 450 45 45 PRO HD3 H 3.691 0.030 2 451 45 45 PRO HG2 H 2.083 0.030 2 452 45 45 PRO HG3 H 2.028 0.030 2 453 45 45 PRO C C 178.073 0.300 1 454 45 45 PRO CA C 63.605 0.300 1 455 45 45 PRO CB C 32.286 0.300 1 456 45 45 PRO CD C 50.850 0.300 1 457 45 45 PRO CG C 28.092 0.300 1 458 46 46 THR H H 8.545 0.030 1 459 46 46 THR HA H 3.951 0.030 1 460 46 46 THR HB H 4.198 0.030 1 461 46 46 THR HG2 H 1.378 0.030 1 462 46 46 THR C C 176.969 0.300 1 463 46 46 THR CA C 66.093 0.300 1 464 46 46 THR CB C 68.902 0.300 1 465 46 46 THR CG2 C 21.975 0.300 1 466 46 46 THR N N 118.687 0.300 1 467 47 47 GLU H H 9.387 0.030 1 468 47 47 GLU HA H 4.198 0.030 1 469 47 47 GLU HB2 H 2.068 0.030 1 470 47 47 GLU HB3 H 2.068 0.030 1 471 47 47 GLU HG2 H 2.304 0.030 1 472 47 47 GLU HG3 H 2.304 0.030 1 473 47 47 GLU C C 176.675 0.300 1 474 47 47 GLU CA C 58.316 0.300 1 475 47 47 GLU CB C 28.352 0.300 1 476 47 47 GLU CG C 35.803 0.300 1 477 47 47 GLU N N 119.283 0.300 1 478 48 48 ASN H H 8.366 0.030 1 479 48 48 ASN HA H 4.585 0.030 1 480 48 48 ASN HB2 H 3.527 0.030 2 481 48 48 ASN HB3 H 3.056 0.030 2 482 48 48 ASN HD21 H 7.298 0.030 2 483 48 48 ASN HD22 H 7.194 0.030 2 484 48 48 ASN C C 173.796 0.300 1 485 48 48 ASN CA C 53.521 0.300 1 486 48 48 ASN CB C 37.883 0.300 1 487 48 48 ASN N N 119.423 0.300 1 488 48 48 ASN ND2 N 110.025 0.300 1 489 49 49 VAL H H 7.649 0.030 1 490 49 49 VAL HA H 4.469 0.030 1 491 49 49 VAL HB H 2.241 0.030 1 492 49 49 VAL HG1 H 0.646 0.030 1 493 49 49 VAL HG2 H 0.848 0.030 1 494 49 49 VAL C C 174.160 0.300 1 495 49 49 VAL CA C 62.343 0.300 1 496 49 49 VAL CB C 31.337 0.300 1 497 49 49 VAL CG1 C 21.504 0.300 2 498 49 49 VAL CG2 C 20.848 0.300 2 499 49 49 VAL N N 121.493 0.300 1 500 50 50 GLN H H 9.056 0.030 1 501 50 50 GLN HA H 4.658 0.030 1 502 50 50 GLN HB2 H 2.009 0.030 2 503 50 50 GLN HB3 H 1.953 0.030 2 504 50 50 GLN HE21 H 7.582 0.030 2 505 50 50 GLN HE22 H 6.838 0.030 2 506 50 50 GLN HG2 H 2.252 0.030 1 507 50 50 GLN HG3 H 2.252 0.030 1 508 50 50 GLN C C 174.838 0.300 1 509 50 50 GLN CA C 54.302 0.300 1 510 50 50 GLN CB C 31.422 0.300 1 511 50 50 GLN CG C 33.126 0.300 1 512 50 50 GLN N N 124.950 0.300 1 513 50 50 GLN NE2 N 111.104 0.300 1 514 51 51 VAL H H 8.547 0.030 1 515 51 51 VAL HA H 5.154 0.030 1 516 51 51 VAL HB H 1.519 0.030 1 517 51 51 VAL HG1 H 0.304 0.030 1 518 51 51 VAL HG2 H 0.557 0.030 1 519 51 51 VAL C C 173.581 0.300 1 520 51 51 VAL CA C 59.703 0.300 1 521 51 51 VAL CB C 34.986 0.300 1 522 51 51 VAL CG1 C 21.788 0.300 2 523 51 51 VAL CG2 C 22.600 0.300 2 524 51 51 VAL N N 123.137 0.300 1 525 52 52 HIS H H 8.514 0.030 1 526 52 52 HIS HA H 4.904 0.030 1 527 52 52 HIS HB2 H 3.227 0.030 2 528 52 52 HIS HB3 H 3.080 0.030 2 529 52 52 HIS HD2 H 7.182 0.030 1 530 52 52 HIS HE1 H 8.107 0.030 1 531 52 52 HIS C C 173.550 0.300 1 532 52 52 HIS CA C 54.450 0.300 1 533 52 52 HIS CB C 31.879 0.300 1 534 52 52 HIS CD2 C 120.180 0.300 1 535 52 52 HIS CE1 C 136.843 0.300 1 536 52 52 HIS N N 125.623 0.300 1 537 53 53 PHE H H 8.927 0.030 1 538 53 53 PHE HA H 5.381 0.030 1 539 53 53 PHE HB2 H 3.359 0.030 2 540 53 53 PHE HB3 H 2.806 0.030 2 541 53 53 PHE HD1 H 7.322 0.030 1 542 53 53 PHE HD2 H 7.322 0.030 1 543 53 53 PHE HE1 H 6.994 0.030 1 544 53 53 PHE HE2 H 6.994 0.030 1 545 53 53 PHE HZ H 6.975 0.030 1 546 53 53 PHE C C 176.013 0.300 1 547 53 53 PHE CA C 57.916 0.300 1 548 53 53 PHE CB C 43.661 0.300 1 549 53 53 PHE CD1 C 132.530 0.300 1 550 53 53 PHE CD2 C 132.530 0.300 1 551 53 53 PHE CE1 C 130.940 0.300 1 552 53 53 PHE CE2 C 130.940 0.300 1 553 53 53 PHE CZ C 130.407 0.300 1 554 53 53 PHE N N 122.749 0.300 1 555 54 54 THR H H 8.934 0.030 1 556 54 54 THR HA H 4.569 0.030 1 557 54 54 THR HB H 4.570 0.030 1 558 54 54 THR HG2 H 1.207 0.030 1 559 54 54 THR C C 173.329 0.300 1 560 54 54 THR CA C 61.343 0.300 1 561 54 54 THR CB C 71.809 0.300 1 562 54 54 THR CG2 C 20.759 0.300 1 563 54 54 THR N N 111.963 0.300 1 564 55 55 GLU H H 8.545 0.030 1 565 55 55 GLU HA H 4.410 0.030 1 566 55 55 GLU HB2 H 2.231 0.030 1 567 55 55 GLU HB3 H 2.231 0.030 1 568 55 55 GLU HG2 H 2.608 0.030 1 569 55 55 GLU HG3 H 2.608 0.030 1 570 55 55 GLU C C 176.149 0.300 1 571 55 55 GLU CA C 59.317 0.300 1 572 55 55 GLU CB C 30.439 0.300 1 573 55 55 GLU CG C 37.768 0.300 1 574 55 55 GLU N N 114.318 0.300 1 575 56 56 ARG H H 7.664 0.030 1 576 56 56 ARG HA H 4.867 0.030 1 577 56 56 ARG HB2 H 2.259 0.030 2 578 56 56 ARG HB3 H 1.641 0.030 2 579 56 56 ARG HD2 H 3.104 0.030 1 580 56 56 ARG HD3 H 3.104 0.030 1 581 56 56 ARG HG2 H 1.461 0.030 2 582 56 56 ARG HG3 H 1.727 0.030 2 583 56 56 ARG C C 174.598 0.300 1 584 56 56 ARG CA C 53.114 0.300 1 585 56 56 ARG CB C 33.189 0.300 1 586 56 56 ARG CD C 43.052 0.300 1 587 56 56 ARG CG C 27.213 0.300 1 588 56 56 ARG N N 111.847 0.300 1 589 57 57 SER H H 7.779 0.030 1 590 57 57 SER HA H 5.333 0.030 1 591 57 57 SER HB2 H 4.026 0.030 2 592 57 57 SER HB3 H 3.911 0.030 2 593 57 57 SER C C 172.268 0.300 1 594 57 57 SER CA C 58.035 0.300 1 595 57 57 SER CB C 68.544 0.300 1 596 57 57 SER N N 115.052 0.300 1 597 58 58 PHE H H 8.120 0.030 1 598 58 58 PHE HA H 5.376 0.030 1 599 58 58 PHE HB2 H 2.999 0.030 2 600 58 58 PHE HB3 H 2.534 0.030 2 601 58 58 PHE HD1 H 6.843 0.030 1 602 58 58 PHE HD2 H 6.843 0.030 1 603 58 58 PHE HE1 H 6.863 0.030 1 604 58 58 PHE HE2 H 6.863 0.030 1 605 58 58 PHE HZ H 6.791 0.030 1 606 58 58 PHE C C 171.980 0.300 1 607 58 58 PHE CA C 57.170 0.300 1 608 58 58 PHE CB C 43.572 0.300 1 609 58 58 PHE CD1 C 131.889 0.300 1 610 58 58 PHE CD2 C 131.889 0.300 1 611 58 58 PHE CE1 C 130.320 0.300 1 612 58 58 PHE CE2 C 130.320 0.300 1 613 58 58 PHE CZ C 128.761 0.300 1 614 58 58 PHE N N 111.381 0.300 1 615 59 59 ASP H H 8.351 0.030 1 616 59 59 ASP HA H 5.075 0.030 1 617 59 59 ASP HB2 H 2.588 0.030 2 618 59 59 ASP HB3 H 2.538 0.030 2 619 59 59 ASP C C 173.888 0.300 1 620 59 59 ASP CA C 52.941 0.300 1 621 59 59 ASP CB C 44.166 0.300 1 622 59 59 ASP N N 118.465 0.300 1 623 60 60 LEU H H 9.248 0.030 1 624 60 60 LEU HA H 5.251 0.030 1 625 60 60 LEU HB2 H 2.037 0.030 2 626 60 60 LEU HB3 H 1.303 0.030 2 627 60 60 LEU HD1 H 0.716 0.030 1 628 60 60 LEU HD2 H 0.782 0.030 1 629 60 60 LEU HG H 1.389 0.030 1 630 60 60 LEU C C 174.600 0.300 1 631 60 60 LEU CA C 53.352 0.300 1 632 60 60 LEU CB C 45.667 0.300 1 633 60 60 LEU CD1 C 24.494 0.300 2 634 60 60 LEU CD2 C 26.875 0.300 2 635 60 60 LEU CG C 27.980 0.300 1 636 60 60 LEU N N 125.120 0.300 1 637 61 61 LEU H H 9.326 0.030 1 638 61 61 LEU HA H 5.297 0.030 1 639 61 61 LEU HB2 H 1.762 0.030 2 640 61 61 LEU HB3 H 1.535 0.030 2 641 61 61 LEU HD1 H 0.858 0.030 1 642 61 61 LEU HD2 H 0.893 0.030 1 643 61 61 LEU HG H 1.336 0.030 1 644 61 61 LEU C C 174.695 0.300 1 645 61 61 LEU CA C 54.145 0.300 1 646 61 61 LEU CB C 45.756 0.300 1 647 61 61 LEU CD1 C 26.075 0.300 2 648 61 61 LEU CD2 C 22.709 0.300 2 649 61 61 LEU CG C 27.964 0.300 1 650 61 61 LEU N N 130.882 0.300 1 651 62 62 VAL H H 9.358 0.030 1 652 62 62 VAL HA H 5.001 0.030 1 653 62 62 VAL HB H 2.157 0.030 1 654 62 62 VAL HG1 H 0.939 0.030 1 655 62 62 VAL HG2 H 0.875 0.030 1 656 62 62 VAL C C 175.302 0.300 1 657 62 62 VAL CA C 61.004 0.300 1 658 62 62 VAL CB C 33.832 0.300 1 659 62 62 VAL CG1 C 21.934 0.300 2 660 62 62 VAL CG2 C 20.447 0.300 2 661 62 62 VAL N N 126.293 0.300 1 662 63 63 LYS H H 8.955 0.030 1 663 63 63 LYS HA H 4.572 0.030 1 664 63 63 LYS HB2 H 1.687 0.030 2 665 63 63 LYS HB3 H 1.534 0.030 2 666 63 63 LYS HD2 H 1.620 0.030 1 667 63 63 LYS HD3 H 1.620 0.030 1 668 63 63 LYS HE2 H 2.869 0.030 1 669 63 63 LYS HE3 H 2.869 0.030 1 670 63 63 LYS HG2 H 1.420 0.030 2 671 63 63 LYS HG3 H 1.295 0.030 2 672 63 63 LYS C C 175.267 0.300 1 673 63 63 LYS CA C 55.621 0.300 1 674 63 63 LYS CB C 34.554 0.300 1 675 63 63 LYS CD C 29.607 0.300 1 676 63 63 LYS CE C 41.842 0.300 1 677 63 63 LYS CG C 25.100 0.300 1 678 63 63 LYS N N 126.229 0.300 1 679 64 64 ASN H H 7.917 0.030 1 680 64 64 ASN HA H 3.949 0.030 1 681 64 64 ASN HB2 H 2.967 0.030 2 682 64 64 ASN HB3 H 2.534 0.030 2 683 64 64 ASN HD21 H 7.493 0.030 2 684 64 64 ASN HD22 H 6.821 0.030 2 685 64 64 ASN C C 173.292 0.300 1 686 64 64 ASN CA C 53.996 0.300 1 687 64 64 ASN CB C 37.120 0.300 1 688 64 64 ASN N N 117.635 0.300 1 689 64 64 ASN ND2 N 111.776 0.300 1 690 65 65 LEU H H 9.026 0.030 1 691 65 65 LEU HA H 4.579 0.030 1 692 65 65 LEU HB2 H 2.047 0.030 2 693 65 65 LEU HB3 H 1.060 0.030 2 694 65 65 LEU HD1 H 0.681 0.030 1 695 65 65 LEU HD2 H 0.566 0.030 1 696 65 65 LEU HG H 1.534 0.030 1 697 65 65 LEU C C 175.589 0.300 1 698 65 65 LEU CA C 53.595 0.300 1 699 65 65 LEU CB C 42.036 0.300 1 700 65 65 LEU CD1 C 23.492 0.300 2 701 65 65 LEU CD2 C 26.150 0.300 2 702 65 65 LEU CG C 27.491 0.300 1 703 65 65 LEU N N 121.822 0.300 1 704 66 66 ASN H H 9.453 0.030 1 705 66 66 ASN HA H 4.344 0.030 1 706 66 66 ASN HB2 H 3.033 0.030 2 707 66 66 ASN HB3 H 2.796 0.030 2 708 66 66 ASN HD21 H 7.549 0.030 2 709 66 66 ASN HD22 H 6.948 0.030 2 710 66 66 ASN C C 175.471 0.300 1 711 66 66 ASN CA C 54.301 0.300 1 712 66 66 ASN CB C 37.794 0.300 1 713 66 66 ASN N N 126.314 0.300 1 714 66 66 ASN ND2 N 113.496 0.300 1 715 67 67 GLY H H 8.087 0.030 1 716 67 67 GLY HA2 H 4.147 0.030 2 717 67 67 GLY HA3 H 3.691 0.030 2 718 67 67 GLY C C 173.893 0.300 1 719 67 67 GLY CA C 45.621 0.300 1 720 67 67 GLY N N 102.453 0.300 1 721 68 68 LYS H H 7.589 0.030 1 722 68 68 LYS HA H 4.709 0.030 1 723 68 68 LYS HB2 H 1.627 0.030 2 724 68 68 LYS HB3 H 1.403 0.030 2 725 68 68 LYS HD2 H 1.644 0.030 2 726 68 68 LYS HD3 H 1.582 0.030 2 727 68 68 LYS HE2 H 2.964 0.030 1 728 68 68 LYS HE3 H 2.964 0.030 1 729 68 68 LYS HG2 H 1.330 0.030 2 730 68 68 LYS HG3 H 1.282 0.030 2 731 68 68 LYS C C 174.344 0.300 1 732 68 68 LYS CA C 54.834 0.300 1 733 68 68 LYS CB C 36.332 0.300 1 734 68 68 LYS CD C 29.236 0.300 1 735 68 68 LYS CE C 42.350 0.300 1 736 68 68 LYS CG C 25.112 0.300 1 737 68 68 LYS N N 119.639 0.300 1 738 69 69 SER H H 8.113 0.030 1 739 69 69 SER HA H 5.657 0.030 1 740 69 69 SER HB2 H 3.815 0.030 2 741 69 69 SER HB3 H 3.708 0.030 2 742 69 69 SER C C 172.375 0.300 1 743 69 69 SER CA C 57.176 0.300 1 744 69 69 SER CB C 65.525 0.300 1 745 69 69 SER N N 114.540 0.300 1 746 70 70 TYR H H 9.315 0.030 1 747 70 70 TYR HA H 5.567 0.030 1 748 70 70 TYR HB2 H 2.870 0.030 2 749 70 70 TYR HB3 H 2.602 0.030 2 750 70 70 TYR HD1 H 6.897 0.030 1 751 70 70 TYR HD2 H 6.897 0.030 1 752 70 70 TYR HE1 H 6.826 0.030 1 753 70 70 TYR HE2 H 6.826 0.030 1 754 70 70 TYR C C 174.832 0.300 1 755 70 70 TYR CA C 56.878 0.300 1 756 70 70 TYR CB C 42.745 0.300 1 757 70 70 TYR CD1 C 133.080 0.300 1 758 70 70 TYR CD2 C 133.080 0.300 1 759 70 70 TYR CE1 C 117.866 0.300 1 760 70 70 TYR CE2 C 117.866 0.300 1 761 70 70 TYR N N 121.117 0.300 1 762 71 71 SER H H 8.960 0.030 1 763 71 71 SER HA H 5.554 0.030 1 764 71 71 SER HB2 H 3.766 0.030 2 765 71 71 SER HB3 H 3.429 0.030 2 766 71 71 SER C C 173.286 0.300 1 767 71 71 SER CA C 55.740 0.300 1 768 71 71 SER CB C 66.644 0.300 1 769 71 71 SER N N 114.748 0.300 1 770 72 72 MET H H 8.669 0.030 1 771 72 72 MET HA H 4.667 0.030 1 772 72 72 MET HB2 H 2.054 0.030 1 773 72 72 MET HB3 H 2.054 0.030 1 774 72 72 MET HE H 1.568 0.030 1 775 72 72 MET HG2 H 2.557 0.030 2 776 72 72 MET HG3 H 2.123 0.030 2 777 72 72 MET C C 172.935 0.300 1 778 72 72 MET CA C 56.514 0.300 1 779 72 72 MET CB C 37.932 0.300 1 780 72 72 MET CE C 18.077 0.300 1 781 72 72 MET CG C 32.253 0.300 1 782 72 72 MET N N 123.621 0.300 1 783 73 73 ILE H H 8.362 0.030 1 784 73 73 ILE HA H 4.527 0.030 1 785 73 73 ILE HB H 1.577 0.030 1 786 73 73 ILE HD1 H 0.773 0.030 1 787 73 73 ILE HG12 H 1.462 0.030 2 788 73 73 ILE HG13 H 0.870 0.030 2 789 73 73 ILE HG2 H 0.728 0.030 1 790 73 73 ILE C C 175.091 0.300 1 791 73 73 ILE CA C 60.383 0.300 1 792 73 73 ILE CB C 41.064 0.300 1 793 73 73 ILE CD1 C 14.186 0.300 1 794 73 73 ILE CG1 C 27.858 0.300 1 795 73 73 ILE CG2 C 16.849 0.300 1 796 73 73 ILE N N 125.996 0.300 1 797 74 74 VAL H H 7.912 0.030 1 798 74 74 VAL HA H 3.949 0.030 1 799 74 74 VAL HB H 0.703 0.030 1 800 74 74 VAL HG1 H 0.532 0.030 1 801 74 74 VAL HG2 H 0.327 0.030 1 802 74 74 VAL C C 173.401 0.300 1 803 74 74 VAL CA C 61.890 0.300 1 804 74 74 VAL CB C 32.276 0.300 1 805 74 74 VAL CG1 C 21.544 0.300 2 806 74 74 VAL CG2 C 22.340 0.300 2 807 74 74 VAL N N 128.592 0.300 1 808 75 75 ASN H H 8.075 0.030 1 809 75 75 ASN HA H 4.890 0.030 1 810 75 75 ASN HB2 H 2.608 0.030 1 811 75 75 ASN HB3 H 2.608 0.030 1 812 75 75 ASN HD21 H 7.430 0.030 2 813 75 75 ASN HD22 H 6.677 0.030 2 814 75 75 ASN C C 174.337 0.300 1 815 75 75 ASN CA C 51.102 0.300 1 816 75 75 ASN CB C 41.185 0.300 1 817 75 75 ASN N N 122.515 0.300 1 818 75 75 ASN ND2 N 111.698 0.300 1 819 76 76 ASN H H 8.436 0.030 1 820 76 76 ASN HA H 4.330 0.030 1 821 76 76 ASN HB2 H 2.861 0.030 2 822 76 76 ASN HB3 H 2.762 0.030 2 823 76 76 ASN HD21 H 7.439 0.030 2 824 76 76 ASN HD22 H 6.841 0.030 2 825 76 76 ASN C C 174.827 0.300 1 826 76 76 ASN CA C 53.833 0.300 1 827 76 76 ASN CB C 37.314 0.300 1 828 76 76 ASN N N 114.424 0.300 1 829 76 76 ASN ND2 N 113.371 0.300 1 830 77 77 LEU H H 8.354 0.030 1 831 77 77 LEU HA H 4.343 0.030 1 832 77 77 LEU HB2 H 1.932 0.030 2 833 77 77 LEU HB3 H 1.564 0.030 2 834 77 77 LEU HD1 H 1.078 0.030 1 835 77 77 LEU HD2 H 1.001 0.030 1 836 77 77 LEU HG H 1.574 0.030 1 837 77 77 LEU C C 178.072 0.300 1 838 77 77 LEU CA C 56.093 0.300 1 839 77 77 LEU CB C 42.495 0.300 1 840 77 77 LEU CD1 C 27.183 0.300 2 841 77 77 LEU CD2 C 23.340 0.300 2 842 77 77 LEU CG C 27.757 0.300 1 843 77 77 LEU N N 117.822 0.300 1 844 78 78 LEU H H 8.124 0.030 1 845 78 78 LEU HA H 3.383 0.030 1 846 78 78 LEU HB2 H 0.931 0.030 2 847 78 78 LEU HB3 H 0.737 0.030 2 848 78 78 LEU HD1 H 0.788 0.030 1 849 78 78 LEU HD2 H 1.043 0.030 1 850 78 78 LEU HG H 1.212 0.030 1 851 78 78 LEU C C 175.862 0.300 1 852 78 78 LEU CA C 58.815 0.300 1 853 78 78 LEU CB C 43.003 0.300 1 854 78 78 LEU CD1 C 24.011 0.300 2 855 78 78 LEU CD2 C 26.359 0.300 2 856 78 78 LEU CG C 26.374 0.300 1 857 78 78 LEU N N 122.036 0.300 1 858 79 79 LYS H H 5.704 0.030 1 859 79 79 LYS HA H 4.389 0.030 1 860 79 79 LYS HB2 H 1.741 0.030 2 861 79 79 LYS HB3 H 0.812 0.030 2 862 79 79 LYS HD2 H 1.459 0.030 2 863 79 79 LYS HD3 H 1.114 0.030 2 864 79 79 LYS HE2 H 2.805 0.030 2 865 79 79 LYS HE3 H 2.584 0.030 2 866 79 79 LYS HG2 H 0.640 0.030 2 867 79 79 LYS HG3 H 0.330 0.030 2 868 79 79 LYS C C 171.371 0.300 1 869 79 79 LYS CA C 51.338 0.300 1 870 79 79 LYS CB C 34.001 0.300 1 871 79 79 LYS CD C 28.581 0.300 1 872 79 79 LYS CE C 42.650 0.300 1 873 79 79 LYS CG C 24.720 0.300 1 874 79 79 LYS N N 111.642 0.300 1 875 80 80 PRO HA H 4.839 0.030 1 876 80 80 PRO HB2 H 2.275 0.030 2 877 80 80 PRO HB3 H 1.759 0.030 2 878 80 80 PRO HD2 H 3.462 0.030 2 879 80 80 PRO HD3 H 3.670 0.030 2 880 80 80 PRO HG2 H 1.900 0.030 2 881 80 80 PRO HG3 H 2.001 0.030 2 882 80 80 PRO C C 177.200 0.300 1 883 80 80 PRO CA C 62.315 0.300 1 884 80 80 PRO CB C 32.924 0.300 1 885 80 80 PRO CD C 49.841 0.300 1 886 80 80 PRO CG C 28.137 0.300 1 887 81 81 ILE H H 9.205 0.030 1 888 81 81 ILE HA H 4.996 0.030 1 889 81 81 ILE HB H 1.776 0.030 1 890 81 81 ILE HD1 H 1.050 0.030 1 891 81 81 ILE HG12 H 1.286 0.030 2 892 81 81 ILE HG13 H 1.209 0.030 2 893 81 81 ILE HG2 H 1.015 0.030 1 894 81 81 ILE C C 175.584 0.300 1 895 81 81 ILE CA C 59.277 0.300 1 896 81 81 ILE CB C 41.412 0.300 1 897 81 81 ILE CD1 C 14.972 0.300 1 898 81 81 ILE CG1 C 25.901 0.300 1 899 81 81 ILE CG2 C 18.505 0.300 1 900 81 81 ILE N N 116.752 0.300 1 901 82 82 SER H H 8.710 0.030 1 902 82 82 SER HA H 4.655 0.030 1 903 82 82 SER HB2 H 3.528 0.030 2 904 82 82 SER HB3 H 3.462 0.030 2 905 82 82 SER C C 175.969 0.300 1 906 82 82 SER CA C 55.290 0.300 1 907 82 82 SER CB C 63.359 0.300 1 908 82 82 SER N N 113.322 0.300 1 909 83 83 VAL H H 9.040 0.030 1 910 83 83 VAL HA H 3.108 0.030 1 911 83 83 VAL HB H 2.053 0.030 1 912 83 83 VAL HG1 H 0.979 0.030 1 913 83 83 VAL HG2 H 0.927 0.030 1 914 83 83 VAL C C 178.637 0.300 1 915 83 83 VAL CA C 67.537 0.300 1 916 83 83 VAL CB C 31.745 0.300 1 917 83 83 VAL CG1 C 20.967 0.300 2 918 83 83 VAL CG2 C 22.215 0.300 2 919 83 83 VAL N N 133.064 0.300 1 920 84 84 GLU H H 8.990 0.030 1 921 84 84 GLU HA H 4.132 0.030 1 922 84 84 GLU HB2 H 1.974 0.030 1 923 84 84 GLU HB3 H 1.974 0.030 1 924 84 84 GLU HG2 H 2.340 0.030 2 925 84 84 GLU HG3 H 2.293 0.030 2 926 84 84 GLU C C 177.296 0.300 1 927 84 84 GLU CA C 58.742 0.300 1 928 84 84 GLU CB C 28.727 0.300 1 929 84 84 GLU CG C 36.349 0.300 1 930 84 84 GLU N N 118.115 0.300 1 931 85 85 GLY H H 7.683 0.030 1 932 85 85 GLY HA2 H 4.299 0.030 2 933 85 85 GLY HA3 H 3.526 0.030 2 934 85 85 GLY C C 174.622 0.300 1 935 85 85 GLY CA C 44.926 0.300 1 936 85 85 GLY N N 106.000 0.300 1 937 86 86 SER H H 7.214 0.030 1 938 86 86 SER HA H 4.792 0.030 1 939 86 86 SER HB2 H 2.882 0.030 2 940 86 86 SER HB3 H 2.586 0.030 2 941 86 86 SER C C 172.732 0.300 1 942 86 86 SER CA C 59.941 0.300 1 943 86 86 SER CB C 62.020 0.300 1 944 86 86 SER N N 120.503 0.300 1 945 87 87 SER H H 9.263 0.030 1 946 87 87 SER HA H 4.818 0.030 1 947 87 87 SER HB2 H 3.975 0.030 2 948 87 87 SER HB3 H 3.840 0.030 2 949 87 87 SER C C 171.685 0.300 1 950 87 87 SER CA C 58.356 0.300 1 951 87 87 SER CB C 65.063 0.300 1 952 87 87 SER N N 117.154 0.300 1 953 88 88 LYS H H 8.402 0.030 1 954 88 88 LYS HA H 5.551 0.030 1 955 88 88 LYS HB2 H 1.686 0.030 1 956 88 88 LYS HB3 H 1.686 0.030 1 957 88 88 LYS HD2 H 1.453 0.030 2 958 88 88 LYS HD3 H 1.410 0.030 2 959 88 88 LYS HE2 H 2.937 0.030 2 960 88 88 LYS HE3 H 2.888 0.030 2 961 88 88 LYS HG2 H 1.335 0.030 1 962 88 88 LYS HG3 H 1.335 0.030 1 963 88 88 LYS C C 174.630 0.300 1 964 88 88 LYS CA C 53.555 0.300 1 965 88 88 LYS CB C 36.005 0.300 1 966 88 88 LYS CD C 29.837 0.300 1 967 88 88 LYS CE C 42.825 0.300 1 968 88 88 LYS CG C 23.900 0.300 1 969 88 88 LYS N N 115.093 0.300 1 970 89 89 LYS H H 9.431 0.030 1 971 89 89 LYS HA H 4.616 0.030 1 972 89 89 LYS HB2 H 1.740 0.030 2 973 89 89 LYS HB3 H 1.584 0.030 2 974 89 89 LYS HD2 H 1.645 0.030 2 975 89 89 LYS HD3 H 1.585 0.030 2 976 89 89 LYS HE2 H 2.850 0.030 2 977 89 89 LYS HG2 H 1.300 0.030 1 978 89 89 LYS HG3 H 1.300 0.030 1 979 89 89 LYS C C 173.868 0.300 1 980 89 89 LYS CA C 55.287 0.300 1 981 89 89 LYS CB C 36.711 0.300 1 982 89 89 LYS CD C 29.178 0.300 1 983 89 89 LYS CE C 42.111 0.300 1 984 89 89 LYS CG C 25.108 0.300 1 985 89 89 LYS N N 121.521 0.300 1 986 90 90 VAL H H 8.677 0.030 1 987 90 90 VAL HA H 4.740 0.030 1 988 90 90 VAL HB H 2.048 0.030 1 989 90 90 VAL HG1 H 1.055 0.030 1 990 90 90 VAL HG2 H 0.973 0.030 1 991 90 90 VAL C C 175.671 0.300 1 992 90 90 VAL CA C 62.089 0.300 1 993 90 90 VAL CB C 33.369 0.300 1 994 90 90 VAL CG1 C 22.338 0.300 2 995 90 90 VAL CG2 C 21.881 0.300 2 996 90 90 VAL N N 123.264 0.300 1 997 91 91 LYS H H 9.048 0.030 1 998 91 91 LYS HA H 4.713 0.030 1 999 91 91 LYS HB2 H 2.020 0.030 2 1000 91 91 LYS HB3 H 1.474 0.030 2 1001 91 91 LYS HD2 H 1.630 0.030 2 1002 91 91 LYS HD3 H 1.584 0.030 2 1003 91 91 LYS HE2 H 2.894 0.030 2 1004 91 91 LYS HE3 H 2.853 0.030 2 1005 91 91 LYS HG2 H 1.317 0.030 2 1006 91 91 LYS HG3 H 1.220 0.030 2 1007 91 91 LYS C C 175.288 0.300 1 1008 91 91 LYS CA C 54.087 0.300 1 1009 91 91 LYS CB C 35.288 0.300 1 1010 91 91 LYS CD C 29.294 0.300 1 1011 91 91 LYS CE C 41.842 0.300 1 1012 91 91 LYS CG C 24.706 0.300 1 1013 91 91 LYS N N 128.040 0.300 1 1014 92 92 THR H H 7.936 0.030 1 1015 92 92 THR HA H 2.789 0.030 1 1016 92 92 THR HB H 3.706 0.030 1 1017 92 92 THR HG2 H 0.680 0.030 1 1018 92 92 THR C C 176.430 0.300 1 1019 92 92 THR CA C 65.308 0.300 1 1020 92 92 THR CB C 68.084 0.300 1 1021 92 92 THR CG2 C 21.552 0.300 1 1022 92 92 THR N N 116.096 0.300 1 1023 93 93 ASP H H 9.815 0.030 1 1024 93 93 ASP HA H 4.807 0.030 1 1025 93 93 ASP HB2 H 3.070 0.030 2 1026 93 93 ASP HB3 H 2.891 0.030 2 1027 93 93 ASP C C 174.262 0.300 1 1028 93 93 ASP CA C 57.231 0.300 1 1029 93 93 ASP CB C 41.012 0.300 1 1030 93 93 ASP N N 128.322 0.300 1 1031 94 94 THR H H 8.047 0.030 1 1032 94 94 THR HA H 5.412 0.030 1 1033 94 94 THR HB H 3.467 0.030 1 1034 94 94 THR HG2 H 1.082 0.030 1 1035 94 94 THR C C 172.464 0.300 1 1036 94 94 THR CA C 62.451 0.300 1 1037 94 94 THR CB C 73.814 0.300 1 1038 94 94 THR CG2 C 20.097 0.300 1 1039 94 94 THR N N 115.207 0.300 1 1040 95 95 VAL H H 9.278 0.030 1 1041 95 95 VAL HA H 4.414 0.030 1 1042 95 95 VAL HB H 1.901 0.030 1 1043 95 95 VAL HG1 H 0.715 0.030 1 1044 95 95 VAL HG2 H 0.916 0.030 1 1045 95 95 VAL C C 172.918 0.300 1 1046 95 95 VAL CA C 62.102 0.300 1 1047 95 95 VAL CB C 33.681 0.300 1 1048 95 95 VAL CG1 C 21.388 0.300 2 1049 95 95 VAL CG2 C 23.105 0.300 2 1050 95 95 VAL N N 125.465 0.300 1 1051 96 96 LEU H H 9.029 0.030 1 1052 96 96 LEU HA H 5.184 0.030 1 1053 96 96 LEU HB2 H 1.459 0.030 2 1054 96 96 LEU HB3 H 1.206 0.030 2 1055 96 96 LEU HD1 H 0.663 0.030 1 1056 96 96 LEU HD2 H 0.428 0.030 1 1057 96 96 LEU HG H 1.234 0.030 1 1058 96 96 LEU C C 174.960 0.300 1 1059 96 96 LEU CA C 53.087 0.300 1 1060 96 96 LEU CB C 43.968 0.300 1 1061 96 96 LEU CD1 C 26.338 0.300 2 1062 96 96 LEU CD2 C 23.940 0.300 2 1063 96 96 LEU CG C 27.926 0.300 1 1064 96 96 LEU N N 129.282 0.300 1 1065 97 97 ILE H H 9.268 0.030 1 1066 97 97 ILE HA H 4.191 0.030 1 1067 97 97 ILE HB H 1.535 0.030 1 1068 97 97 ILE HD1 H 0.390 0.030 1 1069 97 97 ILE HG12 H 0.991 0.030 2 1070 97 97 ILE HG13 H 0.871 0.030 2 1071 97 97 ILE HG2 H 0.333 0.030 1 1072 97 97 ILE C C 173.951 0.300 1 1073 97 97 ILE CA C 60.076 0.300 1 1074 97 97 ILE CB C 37.692 0.300 1 1075 97 97 ILE CD1 C 13.012 0.300 1 1076 97 97 ILE CG1 C 26.778 0.300 1 1077 97 97 ILE CG2 C 17.791 0.300 1 1078 97 97 ILE N N 125.639 0.300 1 1079 98 98 LEU H H 8.803 0.030 1 1080 98 98 LEU HA H 4.614 0.030 1 1081 98 98 LEU HB2 H 1.607 0.030 2 1082 98 98 LEU HB3 H 0.914 0.030 2 1083 98 98 LEU HD1 H 0.399 0.030 1 1084 98 98 LEU HD2 H 0.269 0.030 1 1085 98 98 LEU HG H 1.088 0.030 1 1086 98 98 LEU C C 175.246 0.300 1 1087 98 98 LEU CA C 53.555 0.300 1 1088 98 98 LEU CB C 41.669 0.300 1 1089 98 98 LEU CD1 C 25.073 0.300 2 1090 98 98 LEU CD2 C 24.468 0.300 2 1091 98 98 LEU CG C 27.180 0.300 1 1092 98 98 LEU N N 128.540 0.300 1 1093 99 99 CYS H H 9.041 0.030 1 1094 99 99 CYS HA H 4.439 0.030 1 1095 99 99 CYS HB2 H 3.036 0.030 2 1096 99 99 CYS HB3 H 2.519 0.030 2 1097 99 99 CYS C C 174.355 0.300 1 1098 99 99 CYS CA C 57.012 0.300 1 1099 99 99 CYS CB C 27.846 0.300 1 1100 99 99 CYS N N 120.534 0.300 1 1101 100 100 ARG H H 8.818 0.030 1 1102 100 100 ARG HA H 3.856 0.030 1 1103 100 100 ARG HB2 H 1.866 0.030 2 1104 100 100 ARG HB3 H 1.344 0.030 2 1105 100 100 ARG HD2 H 2.733 0.030 2 1106 100 100 ARG HD3 H 2.585 0.030 2 1107 100 100 ARG HG2 H 1.377 0.030 2 1108 100 100 ARG HG3 H 1.152 0.030 2 1109 100 100 ARG C C 175.081 0.300 1 1110 100 100 ARG CA C 54.781 0.300 1 1111 100 100 ARG CB C 29.448 0.300 1 1112 100 100 ARG CD C 42.848 0.300 1 1113 100 100 ARG CG C 26.620 0.300 1 1114 100 100 ARG N N 128.916 0.300 1 1115 101 101 LYS H H 8.484 0.030 1 1116 101 101 LYS HA H 3.753 0.030 1 1117 101 101 LYS HB2 H 2.019 0.030 2 1118 101 101 LYS HB3 H 1.274 0.030 2 1119 101 101 LYS HD2 H 1.770 0.030 2 1120 101 101 LYS HD3 H 1.456 0.030 2 1121 101 101 LYS HE2 H 2.464 0.030 2 1122 101 101 LYS HE3 H 1.972 0.030 2 1123 101 101 LYS HG2 H 1.082 0.030 2 1124 101 101 LYS HG3 H 0.933 0.030 2 1125 101 101 LYS C C 176.287 0.300 1 1126 101 101 LYS CA C 58.649 0.300 1 1127 101 101 LYS CB C 33.723 0.300 1 1128 101 101 LYS CD C 30.295 0.300 1 1129 101 101 LYS CE C 42.420 0.300 1 1130 101 101 LYS CG C 27.209 0.300 1 1131 101 101 LYS N N 130.084 0.300 1 1132 102 102 LYS H H 7.990 0.030 1 1133 102 102 LYS HA H 3.885 0.030 1 1134 102 102 LYS HB2 H 1.761 0.030 2 1135 102 102 LYS HB3 H 1.312 0.030 2 1136 102 102 LYS HD2 H 1.673 0.030 2 1137 102 102 LYS HD3 H 1.561 0.030 2 1138 102 102 LYS HE2 H 2.967 0.030 2 1139 102 102 LYS HG2 H 1.344 0.030 1 1140 102 102 LYS HG3 H 1.344 0.030 1 1141 102 102 LYS C C 176.724 0.300 1 1142 102 102 LYS CA C 59.742 0.300 1 1143 102 102 LYS CB C 32.906 0.300 1 1144 102 102 LYS CD C 29.699 0.300 1 1145 102 102 LYS CE C 42.189 0.300 1 1146 102 102 LYS CG C 25.605 0.300 1 1147 102 102 LYS N N 124.065 0.300 1 1148 103 103 VAL H H 7.928 0.030 1 1149 103 103 VAL HA H 4.115 0.030 1 1150 103 103 VAL HB H 1.919 0.030 1 1151 103 103 VAL HG1 H 0.948 0.030 1 1152 103 103 VAL HG2 H 0.888 0.030 1 1153 103 103 VAL C C 175.790 0.300 1 1154 103 103 VAL CA C 61.682 0.300 1 1155 103 103 VAL CB C 31.545 0.300 1 1156 103 103 VAL CG1 C 21.296 0.300 2 1157 103 103 VAL CG2 C 21.256 0.300 2 1158 103 103 VAL N N 118.029 0.300 1 1159 104 104 GLU H H 8.567 0.030 1 1160 104 104 GLU HA H 4.109 0.030 1 1161 104 104 GLU HB2 H 1.965 0.030 2 1162 104 104 GLU HB3 H 1.842 0.030 2 1163 104 104 GLU HG2 H 2.295 0.030 2 1164 104 104 GLU HG3 H 2.217 0.030 2 1165 104 104 GLU C C 176.515 0.300 1 1166 104 104 GLU CA C 56.622 0.300 1 1167 104 104 GLU CB C 30.059 0.300 1 1168 104 104 GLU CG C 36.602 0.300 1 1169 104 104 GLU N N 126.083 0.300 1 1170 105 105 ASN H H 9.268 0.030 1 1171 105 105 ASN HA H 4.284 0.030 1 1172 105 105 ASN HB2 H 3.075 0.030 2 1173 105 105 ASN HB3 H 3.016 0.030 2 1174 105 105 ASN HD21 H 7.446 0.030 2 1175 105 105 ASN HD22 H 6.814 0.030 2 1176 105 105 ASN C C 174.517 0.300 1 1177 105 105 ASN CA C 55.078 0.300 1 1178 105 105 ASN CB C 36.642 0.300 1 1179 105 105 ASN N N 112.958 0.300 1 1180 105 105 ASN ND2 N 112.449 0.300 1 1181 106 106 THR H H 7.069 0.030 1 1182 106 106 THR HA H 4.432 0.030 1 1183 106 106 THR HB H 4.118 0.030 1 1184 106 106 THR HG2 H 1.212 0.030 1 1185 106 106 THR C C 173.706 0.300 1 1186 106 106 THR CA C 61.298 0.300 1 1187 106 106 THR CB C 70.822 0.300 1 1188 106 106 THR CG2 C 21.231 0.300 1 1189 106 106 THR N N 112.325 0.300 1 1190 107 107 ARG H H 9.177 0.030 1 1191 107 107 ARG HA H 4.263 0.030 1 1192 107 107 ARG HB2 H 1.819 0.030 2 1193 107 107 ARG HB3 H 1.726 0.030 2 1194 107 107 ARG HD2 H 3.144 0.030 1 1195 107 107 ARG HD3 H 3.144 0.030 1 1196 107 107 ARG HE H 7.647 0.030 1 1197 107 107 ARG HG2 H 1.514 0.030 2 1198 107 107 ARG HG3 H 1.355 0.030 2 1199 107 107 ARG C C 176.449 0.300 1 1200 107 107 ARG CA C 56.311 0.300 1 1201 107 107 ARG CB C 30.709 0.300 1 1202 107 107 ARG CD C 43.114 0.300 1 1203 107 107 ARG CG C 27.761 0.300 1 1204 108 108 TRP H H 10.196 0.030 1 1205 108 108 TRP HA H 4.828 0.030 1 1206 108 108 TRP HB2 H 3.259 0.030 2 1207 108 108 TRP HB3 H 3.710 0.030 2 1208 108 108 TRP HD1 H 7.181 0.030 1 1209 108 108 TRP HE1 H 10.683 0.030 1 1210 108 108 TRP HE3 H 7.892 0.030 1 1211 108 108 TRP HH2 H 7.206 0.030 1 1212 108 108 TRP HZ2 H 6.941 0.030 1 1213 108 108 TRP HZ3 H 7.447 0.030 1 1214 108 108 TRP C C 176.974 0.300 1 1215 108 108 TRP CA C 56.644 0.300 1 1216 108 108 TRP CB C 28.819 0.300 1 1217 108 108 TRP CD1 C 122.173 0.300 1 1218 108 108 TRP CE3 C 122.782 0.300 1 1219 108 108 TRP CH2 C 125.665 0.300 1 1220 108 108 TRP CZ2 C 114.446 0.300 1 1221 108 108 TRP CZ3 C 121.779 0.300 1 1222 108 108 TRP N N 130.754 0.300 1 1223 108 108 TRP NE1 N 127.578 0.300 1 1224 109 109 ASP H H 9.223 0.030 1 1225 109 109 ASP HA H 4.458 0.030 1 1226 109 109 ASP HB2 H 2.369 0.030 1 1227 109 109 ASP HB3 H 2.369 0.030 1 1228 109 109 ASP C C 174.391 0.300 1 1229 109 109 ASP CA C 55.873 0.300 1 1230 109 109 ASP CB C 40.937 0.300 1 1231 109 109 ASP N N 122.891 0.300 1 1232 110 110 TYR H H 7.584 0.030 1 1233 110 110 TYR HA H 4.901 0.030 1 1234 110 110 TYR HB2 H 3.403 0.030 2 1235 110 110 TYR HB3 H 2.507 0.030 2 1236 110 110 TYR HD1 H 7.123 0.030 1 1237 110 110 TYR HD2 H 7.123 0.030 1 1238 110 110 TYR HE1 H 6.882 0.030 1 1239 110 110 TYR HE2 H 6.882 0.030 1 1240 110 110 TYR C C 172.941 0.300 1 1241 110 110 TYR CA C 55.888 0.300 1 1242 110 110 TYR CB C 43.347 0.300 1 1243 110 110 TYR CD1 C 133.750 0.300 1 1244 110 110 TYR CD2 C 133.750 0.300 1 1245 110 110 TYR CE1 C 118.341 0.300 1 1246 110 110 TYR CE2 C 118.341 0.300 1 1247 110 110 TYR N N 114.589 0.300 1 1248 111 111 LEU H H 8.537 0.030 1 1249 111 111 LEU HA H 3.903 0.030 1 1250 111 111 LEU HB2 H 1.577 0.030 2 1251 111 111 LEU HB3 H -0.182 0.030 2 1252 111 111 LEU HD1 H 0.454 0.030 1 1253 111 111 LEU HD2 H 0.597 0.030 1 1254 111 111 LEU HG H 1.340 0.030 1 1255 111 111 LEU C C 177.528 0.300 1 1256 111 111 LEU CA C 57.155 0.300 1 1257 111 111 LEU CB C 41.566 0.300 1 1258 111 111 LEU CD1 C 23.568 0.300 2 1259 111 111 LEU CD2 C 26.033 0.300 2 1260 111 111 LEU CG C 26.500 0.300 1 1261 111 111 LEU N N 119.528 0.300 1 1262 112 112 THR H H 7.105 0.030 1 1263 112 112 THR HA H 4.918 0.030 1 1264 112 112 THR HB H 4.366 0.030 1 1265 112 112 THR HG2 H 1.019 0.030 1 1266 112 112 THR C C 174.486 0.300 1 1267 112 112 THR CA C 58.228 0.300 1 1268 112 112 THR CB C 73.174 0.300 1 1269 112 112 THR CG2 C 21.929 0.300 1 1270 112 112 THR N N 100.889 0.300 1 1271 113 113 GLN H H 8.561 0.030 1 1272 113 113 GLN HA H 3.920 0.030 1 1273 113 113 GLN HB2 H 1.956 0.030 1 1274 113 113 GLN HB3 H 1.956 0.030 1 1275 113 113 GLN HE21 H 7.570 0.030 2 1276 113 113 GLN HE22 H 6.797 0.030 2 1277 113 113 GLN HG2 H 2.292 0.030 1 1278 113 113 GLN HG3 H 2.292 0.030 1 1279 113 113 GLN C C 177.024 0.300 1 1280 113 113 GLN CA C 57.570 0.300 1 1281 113 113 GLN CB C 29.157 0.300 1 1282 113 113 GLN CG C 33.437 0.300 1 1283 113 113 GLN N N 118.700 0.300 1 1284 113 113 GLN NE2 N 111.729 0.300 1 1285 114 114 VAL H H 7.332 0.030 1 1286 114 114 VAL HA H 3.811 0.030 1 1287 114 114 VAL HB H 1.952 0.030 1 1288 114 114 VAL HG1 H 0.947 0.030 1 1289 114 114 VAL HG2 H 0.908 0.030 1 1290 114 114 VAL C C 177.341 0.300 1 1291 114 114 VAL CA C 64.587 0.300 1 1292 114 114 VAL CB C 32.347 0.300 1 1293 114 114 VAL CG1 C 22.038 0.300 2 1294 114 114 VAL CG2 C 21.025 0.300 2 1295 114 114 VAL N N 118.009 0.300 1 1296 115 115 GLU H H 7.864 0.030 1 1297 115 115 GLU HA H 4.007 0.030 1 1298 115 115 GLU HB2 H 2.125 0.030 1 1299 115 115 GLU HB3 H 2.125 0.030 1 1300 115 115 GLU HG2 H 2.423 0.030 2 1301 115 115 GLU HG3 H 2.321 0.030 2 1302 115 115 GLU C C 177.534 0.300 1 1303 115 115 GLU CA C 58.621 0.300 1 1304 115 115 GLU CB C 30.512 0.300 1 1305 115 115 GLU CG C 36.833 0.300 1 1306 115 115 GLU N N 122.380 0.300 1 1307 116 116 LYS H H 7.289 0.030 1 1308 116 116 LYS HA H 2.863 0.030 1 1309 116 116 LYS HB2 H 1.756 0.030 2 1310 116 116 LYS HB3 H 1.331 0.030 2 1311 116 116 LYS HD2 H 1.680 0.030 2 1312 116 116 LYS HD3 H 1.599 0.030 2 1313 116 116 LYS HE2 H 3.048 0.030 2 1314 116 116 LYS HE3 H 2.993 0.030 2 1315 116 116 LYS HG2 H 1.215 0.030 2 1316 116 116 LYS HG3 H 1.104 0.030 2 1317 116 116 LYS C C 177.194 0.300 1 1318 116 116 LYS CA C 58.388 0.300 1 1319 116 116 LYS CB C 32.931 0.300 1 1320 116 116 LYS CD C 29.988 0.300 1 1321 116 116 LYS CE C 42.324 0.300 1 1322 116 116 LYS CG C 24.384 0.300 1 1323 116 116 LYS N N 119.755 0.300 1 1324 117 117 GLU H H 7.999 0.030 1 1325 117 117 GLU HA H 4.005 0.030 1 1326 117 117 GLU HB2 H 2.000 0.030 1 1327 117 117 GLU HB3 H 2.000 0.030 1 1328 117 117 GLU HG2 H 2.380 0.030 2 1329 117 117 GLU HG3 H 2.214 0.030 2 1330 117 117 GLU C C 178.273 0.300 1 1331 117 117 GLU CA C 58.228 0.300 1 1332 117 117 GLU CB C 29.715 0.300 1 1333 117 117 GLU CG C 36.638 0.300 1 1334 117 117 GLU N N 117.822 0.300 1 1335 118 118 CYS H H 8.109 0.030 1 1336 118 118 CYS HA H 4.263 0.030 1 1337 118 118 CYS HB2 H 2.997 0.030 2 1338 118 118 CYS HB3 H 2.945 0.030 2 1339 118 118 CYS C C 176.353 0.300 1 1340 118 118 CYS CA C 61.211 0.300 1 1341 118 118 CYS CB C 27.239 0.300 1 1342 118 118 CYS N N 117.914 0.300 1 1343 119 119 LYS H H 8.086 0.030 1 1344 119 119 LYS HA H 4.255 0.030 1 1345 119 119 LYS HB2 H 1.959 0.030 2 1346 119 119 LYS HB3 H 1.848 0.030 2 1347 119 119 LYS HD2 H 1.821 0.030 1 1348 119 119 LYS HE2 H 3.102 0.030 2 1349 119 119 LYS HG2 H 1.588 0.030 1 1350 119 119 LYS HG3 H 1.588 0.030 1 1351 119 119 LYS C C 177.995 0.300 1 1352 119 119 LYS CA C 57.582 0.300 1 1353 119 119 LYS CB C 32.676 0.300 1 1354 119 119 LYS CD C 29.121 0.300 1 1355 119 119 LYS CE C 42.474 0.300 1 1356 119 119 LYS CG C 25.399 0.300 1 1357 119 119 LYS N N 120.904 0.300 1 1358 120 120 GLU H H 8.214 0.030 1 1359 120 120 GLU HA H 4.249 0.030 1 1360 120 120 GLU HB2 H 2.055 0.030 2 1361 120 120 GLU HB3 H 1.964 0.030 2 1362 120 120 GLU HG2 H 2.436 0.030 2 1363 120 120 GLU HG3 H 2.262 0.030 2 1364 120 120 GLU C C 176.902 0.300 1 1365 120 120 GLU CA C 57.294 0.300 1 1366 120 120 GLU CB C 29.745 0.300 1 1367 120 120 GLU CG C 36.638 0.300 1 1368 120 120 GLU N N 119.387 0.300 1 1369 121 121 LYS H H 7.956 0.030 1 1370 121 121 LYS HA H 4.343 0.030 1 1371 121 121 LYS HB2 H 1.905 0.030 2 1372 121 121 LYS HB3 H 1.859 0.030 2 1373 121 121 LYS HD2 H 1.692 0.030 2 1374 121 121 LYS HD3 H 1.953 0.030 2 1375 121 121 LYS HE2 H 3.019 0.030 1 1376 121 121 LYS HE3 H 3.019 0.030 1 1377 121 121 LYS HG2 H 1.494 0.030 2 1378 121 121 LYS HG3 H 1.465 0.030 2 1379 121 121 LYS C C 176.715 0.300 1 1380 121 121 LYS CA C 56.703 0.300 1 1381 121 121 LYS CB C 32.697 0.300 1 1382 121 121 LYS CD C 29.236 0.300 1 1383 121 121 LYS CE C 42.247 0.300 1 1384 121 121 LYS CG C 24.880 0.300 1 1385 121 121 LYS N N 120.558 0.300 1 1386 122 122 SER H H 8.179 0.030 1 1387 122 122 SER HA H 4.518 0.030 1 1388 122 122 SER HB2 H 3.922 0.030 1 1389 122 122 SER HB3 H 3.922 0.030 1 1390 122 122 SER C C 174.639 0.300 1 1391 122 122 SER CA C 58.577 0.300 1 1392 122 122 SER CB C 64.124 0.300 1 1393 122 122 SER N N 116.193 0.300 1 1394 123 123 GLY H H 8.215 0.030 1 1395 123 123 GLY HA2 H 4.183 0.030 2 1396 123 123 GLY HA3 H 4.119 0.030 2 1397 123 123 GLY C C 171.807 0.300 1 1398 123 123 GLY CA C 44.765 0.300 1 1399 123 123 GLY N N 110.570 0.300 1 1400 124 124 PRO HA H 4.488 0.030 1 1401 124 124 PRO HB2 H 2.302 0.030 2 1402 124 124 PRO HB3 H 1.987 0.030 2 1403 124 124 PRO HD2 H 3.646 0.030 1 1404 124 124 PRO HD3 H 3.646 0.030 1 1405 124 124 PRO HG2 H 2.028 0.030 1 1406 124 124 PRO HG3 H 2.028 0.030 1 1407 124 124 PRO C C 177.451 0.300 1 1408 124 124 PRO CA C 63.320 0.300 1 1409 124 124 PRO CB C 32.228 0.300 1 1410 124 124 PRO CD C 49.850 0.300 1 1411 124 124 PRO CG C 27.172 0.300 1 1412 125 125 SER H H 8.532 0.030 1 1413 125 125 SER HA H 4.517 0.030 1 1414 125 125 SER HB2 H 3.915 0.030 1 1415 125 125 SER HB3 H 3.915 0.030 1 1416 125 125 SER C C 174.717 0.300 1 1417 125 125 SER CA C 58.420 0.300 1 1418 125 125 SER CB C 63.894 0.300 1 1419 125 125 SER N N 116.361 0.300 1 1420 126 126 SER HA H 4.513 0.030 1 1421 126 126 SER HB2 H 3.925 0.030 1 1422 126 126 SER HB3 H 3.925 0.030 1 1423 126 126 SER C C 173.955 0.300 1 1424 126 126 SER CA C 58.424 0.300 1 1425 126 126 SER CB C 64.139 0.300 1 1426 127 127 GLY H H 8.060 0.030 1 1427 127 127 GLY HA2 H 3.797 0.030 2 1428 127 127 GLY HA3 H 3.758 0.030 2 1429 127 127 GLY C C 179.044 0.300 1 1430 127 127 GLY CA C 46.258 0.300 1 1431 127 127 GLY N N 116.898 0.300 1 stop_ save_