data_6944 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment for the N-terminal region of eukaryotic initiation factor 5 (eIF5) ; _BMRB_accession_number 6944 _BMRB_flat_file_name bmr6944.str _Entry_type original _Submission_date 2006-01-20 _Accession_date 2006-01-20 _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 Conte Maria R. . 2 Kelly Geoff . . 3 Babon Jeff . . 4 Proud Christopher G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 672 "13C chemical shifts" 567 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-08 update BMRB 'complete entry citation, etc.' 2006-08-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignment for the N-terminal region of the eukaryotic initiation factor 5 (eIF5) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16738784 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Conte Maria R. . 2 Kelly Geoff . . 3 Babon Jeff . . 4 Proud Christopher G. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 42 _Page_last 42 _Year 2006 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name eIF5(1-170) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label eIF5(1-170) $1 'Zinc ion' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'free and other bound' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component diamagnetic 'Zinc ion' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Protein _Molecular_mass . _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; LSVNVNRSVSDQFYRYKMPR LIAKVEGKGNGIKTVIVNMV DVAKALNRPPTYPTKYFGCE LGAQTQFDVKNDRYIVNGSH EANKLQDMLDGFIKKFVLCP ECENPETDLHVNPKKQTIGN SCKACGYRGMLDTHHKLCTF ILKNPPENSDSGTGKKEKEK KNRKGKDKEN ; loop_ _Residue_seq_code _Residue_label 1 LEU 2 SER 3 VAL 4 ASN 5 VAL 6 ASN 7 ARG 8 SER 9 VAL 10 SER 11 ASP 12 GLN 13 PHE 14 TYR 15 ARG 16 TYR 17 LYS 18 MET 19 PRO 20 ARG 21 LEU 22 ILE 23 ALA 24 LYS 25 VAL 26 GLU 27 GLY 28 LYS 29 GLY 30 ASN 31 GLY 32 ILE 33 LYS 34 THR 35 VAL 36 ILE 37 VAL 38 ASN 39 MET 40 VAL 41 ASP 42 VAL 43 ALA 44 LYS 45 ALA 46 LEU 47 ASN 48 ARG 49 PRO 50 PRO 51 THR 52 TYR 53 PRO 54 THR 55 LYS 56 TYR 57 PHE 58 GLY 59 CYS 60 GLU 61 LEU 62 GLY 63 ALA 64 GLN 65 THR 66 GLN 67 PHE 68 ASP 69 VAL 70 LYS 71 ASN 72 ASP 73 ARG 74 TYR 75 ILE 76 VAL 77 ASN 78 GLY 79 SER 80 HIS 81 GLU 82 ALA 83 ASN 84 LYS 85 LEU 86 GLN 87 ASP 88 MET 89 LEU 90 ASP 91 GLY 92 PHE 93 ILE 94 LYS 95 LYS 96 PHE 97 VAL 98 LEU 99 CYS 100 PRO 101 GLU 102 CYS 103 GLU 104 ASN 105 PRO 106 GLU 107 THR 108 ASP 109 LEU 110 HIS 111 VAL 112 ASN 113 PRO 114 LYS 115 LYS 116 GLN 117 THR 118 ILE 119 GLY 120 ASN 121 SER 122 CYS 123 LYS 124 ALA 125 CYS 126 GLY 127 TYR 128 ARG 129 GLY 130 MET 131 LEU 132 ASP 133 THR 134 HIS 135 HIS 136 LYS 137 LEU 138 CYS 139 THR 140 PHE 141 ILE 142 LEU 143 LYS 144 ASN 145 PRO 146 PRO 147 GLU 148 ASN 149 SER 150 ASP 151 SER 152 GLY 153 THR 154 GLY 155 LYS 156 LYS 157 GLU 158 LYS 159 GLU 160 LYS 161 LYS 162 ASN 163 ARG 164 LYS 165 GLY 166 LYS 167 ASP 168 LYS 169 GLU 170 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $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_name $1 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $1 0.5 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM . DTT 2 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_15N-and_13C_edited_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-and 13C edited NOESY' _Sample_label $sample_1 save_ save_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_15N-and_13C_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-and 13C HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '20 mM sodium phosphate, 2 mM DTT' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 pH temperature 298 0.05 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS P 31 'methyl protons' ppm 0.0 . indirect . . . 0.404808636 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name eIF5(1-170) _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 5 5 VAL CA C 66.444 0.000 . 2 6 6 ASN H H 6.035 0.000 . 3 6 6 ASN HA H 4.809 0.000 . 4 6 6 ASN HB2 H 2.940 0.002 . 5 6 6 ASN HB3 H 2.940 0.000 . 6 6 6 ASN HD21 H 7.298 0.000 . 7 6 6 ASN HD22 H 7.717 0.000 . 8 6 6 ASN C C 175.131 0.000 . 9 6 6 ASN CA C 49.755 0.000 . 10 6 6 ASN CB C 38.527 0.000 . 11 6 6 ASN N N 109.054 0.000 . 12 6 6 ASN ND2 N 111.500 0.000 . 13 7 7 ARG H H 8.855 0.000 . 14 7 7 ARG C C 176.878 0.000 . 15 7 7 ARG CA C 59.513 0.000 . 16 7 7 ARG CB C 30.255 0.000 . 17 7 7 ARG N N 121.914 0.000 . 18 8 8 SER H H 7.803 0.000 . 19 8 8 SER HA H 4.285 0.002 . 20 8 8 SER HB2 H 3.909 0.002 . 21 8 8 SER HB3 H 3.909 0.000 . 22 8 8 SER C C 173.972 0.000 . 23 8 8 SER CA C 60.000 0.000 . 24 8 8 SER CB C 63.245 0.000 . 25 8 8 SER N N 113.210 0.000 . 26 9 9 VAL H H 7.373 0.000 . 27 9 9 VAL HA H 3.929 0.003 . 28 9 9 VAL HB H 1.695 0.000 . 29 9 9 VAL HG1 H 0.731 0.001 . 30 9 9 VAL HG2 H 0.900 0.002 . 31 9 9 VAL C C 174.507 0.000 . 32 9 9 VAL CA C 62.204 0.000 . 33 9 9 VAL CB C 32.331 0.000 . 34 9 9 VAL CG1 C 20.824 0.000 . 35 9 9 VAL CG2 C 21.414 0.000 . 36 9 9 VAL N N 122.603 0.000 . 37 10 10 SER H H 8.801 0.000 . 38 10 10 SER C C 174.596 0.000 . 39 10 10 SER CA C 58.612 0.000 . 40 10 10 SER CB C 63.380 0.000 . 41 10 10 SER N N 123.625 0.000 . 42 11 11 ASP H H 7.184 0.000 . 43 11 11 ASP HB2 H 2.638 0.007 . 44 11 11 ASP HB3 H 2.780 0.003 . 45 11 11 ASP C C 177.485 0.000 . 46 11 11 ASP CA C 54.714 0.000 . 47 11 11 ASP CB C 42.068 0.000 . 48 11 11 ASP N N 122.368 0.000 . 49 12 12 GLN H H 9.179 0.000 . 50 12 12 GLN HA H 4.148 0.003 . 51 12 12 GLN HB2 H 1.783 0.002 . 52 12 12 GLN HB3 H 1.829 0.004 . 53 12 12 GLN HG2 H 1.812 0.003 . 54 12 12 GLN HG3 H 2.049 0.002 . 55 12 12 GLN C C 177.110 0.000 . 56 12 12 GLN CA C 57.639 0.000 . 57 12 12 GLN CB C 28.200 0.000 . 58 12 12 GLN CG C 33.216 0.000 . 59 12 12 GLN N N 127.507 0.000 . 60 13 13 PHE H H 8.624 0.000 . 61 13 13 PHE HA H 4.622 0.002 . 62 13 13 PHE HB2 H 3.082 0.002 . 63 13 13 PHE HB3 H 3.380 0.000 . 64 13 13 PHE C C 175.006 0.000 . 65 13 13 PHE CA C 57.344 0.000 . 66 13 13 PHE CB C 37.642 0.000 . 67 13 13 PHE N N 119.471 0.000 . 68 14 14 TYR H H 7.085 0.000 . 69 14 14 TYR HD1 H 7.459 0.002 . 70 14 14 TYR HD2 H 7.459 0.000 . 71 14 14 TYR HE1 H 7.331 0.003 . 72 14 14 TYR HE2 H 7.331 0.000 . 73 14 14 TYR C C 177.431 0.000 . 74 14 14 TYR CA C 59.223 0.000 . 75 14 14 TYR CD1 C 135.402 0.000 . 76 14 14 TYR CD2 C 135.402 0.000 . 77 14 14 TYR CE1 C 119.535 0.000 . 78 14 14 TYR CE2 C 119.535 0.000 . 79 14 14 TYR N N 123.919 0.000 . 80 15 15 ARG H H 7.909 0.000 . 81 15 15 ARG HA H 3.790 0.000 . 82 15 15 ARG HB2 H 1.110 0.005 . 83 15 15 ARG HB3 H 1.228 0.002 . 84 15 15 ARG HG2 H 0.991 0.004 . 85 15 15 ARG HG3 H 1.079 0.001 . 86 15 15 ARG HD2 H 2.937 0.010 . 87 15 15 ARG HD3 H 2.937 0.000 . 88 15 15 ARG C C 175.416 0.000 . 89 15 15 ARG CA C 58.229 0.000 . 90 15 15 ARG CB C 30.561 0.000 . 91 15 15 ARG CG C 26.725 0.000 . 92 15 15 ARG CD C 42.953 0.000 . 93 15 15 ARG N N 123.496 0.000 . 94 16 16 TYR H H 5.968 0.000 . 95 16 16 TYR HA H 4.683 0.000 . 96 16 16 TYR HB2 H 2.949 0.007 . 97 16 16 TYR HB3 H 2.949 0.000 . 98 16 16 TYR HD1 H 6.743 0.006 . 99 16 16 TYR HD2 H 6.743 0.000 . 100 16 16 TYR HE1 H 6.786 0.011 . 101 16 16 TYR HE2 H 6.786 0.000 . 102 16 16 TYR C C 174.132 0.000 . 103 16 16 TYR CA C 57.007 0.000 . 104 16 16 TYR CB C 43.248 0.000 . 105 16 16 TYR CD1 C 134.221 0.000 . 106 16 16 TYR CD2 C 134.221 0.000 . 107 16 16 TYR CE1 C 118.650 0.000 . 108 16 16 TYR CE2 C 118.650 0.000 . 109 16 16 TYR N N 117.742 0.000 . 110 17 17 LYS H H 8.631 0.000 . 111 17 17 LYS CA C 53.185 0.000 . 112 17 17 LYS N N 124.347 0.000 . 113 18 18 MET H H 9.525 0.000 . 114 18 18 MET N N 116.547 0.000 . 115 19 19 PRO HA H 4.401 0.005 . 116 19 19 PRO HB2 H 2.107 0.001 . 117 19 19 PRO HB3 H 2.283 0.007 . 118 19 19 PRO HG2 H 2.043 0.012 . 119 19 19 PRO HG3 H 2.268 0.012 . 120 19 19 PRO HD2 H 3.667 0.009 . 121 19 19 PRO HD3 H 4.078 0.001 . 122 19 19 PRO C C 176.789 0.000 . 123 19 19 PRO CA C 63.541 0.000 . 124 19 19 PRO CB C 31.741 0.000 . 125 19 19 PRO CG C 27.610 0.000 . 126 19 19 PRO CD C 50.267 0.000 . 127 20 20 ARG H H 8.796 0.000 . 128 20 20 ARG C C 176.540 0.000 . 129 20 20 ARG CA C 56.716 0.000 . 130 20 20 ARG N N 121.438 0.000 . 131 21 21 LEU H H 8.994 0.000 . 132 21 21 LEU HA H 4.186 0.001 . 133 21 21 LEU HB2 H 1.238 0.008 . 134 21 21 LEU HB3 H 1.744 0.003 . 135 21 21 LEU HG H 1.895 0.002 . 136 21 21 LEU HD1 H 0.896 0.002 . 137 21 21 LEU HD2 H 0.863 0.002 . 138 21 21 LEU C C 176.112 0.000 . 139 21 21 LEU CA C 56.754 0.000 . 140 21 21 LEU CB C 43.248 0.000 . 141 21 21 LEU CG C 26.430 0.000 . 142 21 21 LEU CD1 C 25.545 0.000 . 143 21 21 LEU CD2 C 27.610 0.000 . 144 21 21 LEU N N 125.175 0.000 . 145 22 22 ILE H H 8.663 0.000 . 146 22 22 ILE HA H 4.220 0.004 . 147 22 22 ILE HB H 1.461 0.008 . 148 22 22 ILE HG2 H 0.907 0.001 . 149 22 22 ILE HD1 H 0.885 0.000 . 150 22 22 ILE C C 173.740 0.000 . 151 22 22 ILE CA C 60.590 0.000 . 152 22 22 ILE CB C 40.593 0.000 . 153 22 22 ILE CG2 C 17.283 0.000 . 154 22 22 ILE CD1 C 13.447 0.000 . 155 22 22 ILE N N 124.748 0.000 . 156 23 23 ALA H H 8.456 0.000 . 157 23 23 ALA HA H 5.609 0.001 . 158 23 23 ALA HB H 1.186 0.002 . 159 23 23 ALA C C 175.791 0.000 . 160 23 23 ALA CA C 49.968 0.000 . 161 23 23 ALA CB C 22.004 0.000 . 162 23 23 ALA N N 128.310 0.000 . 163 24 24 LYS H H 9.137 0.000 . 164 24 24 LYS HA H 4.894 0.000 . 165 24 24 LYS HB2 H 1.762 0.000 . 166 24 24 LYS HB3 H 1.866 0.002 . 167 24 24 LYS HG2 H 1.421 0.007 . 168 24 24 LYS HG3 H 1.421 0.000 . 169 24 24 LYS HD2 H 1.761 0.001 . 170 24 24 LYS HD3 H 1.761 0.000 . 171 24 24 LYS HE2 H 3.040 0.000 . 172 24 24 LYS HE3 H 3.040 0.000 . 173 24 24 LYS C C 174.221 0.000 . 174 24 24 LYS CA C 54.902 0.000 . 175 24 24 LYS CB C 36.167 0.000 . 176 24 24 LYS CG C 24.954 0.000 . 177 24 24 LYS CD C 29.380 0.000 . 178 24 24 LYS N N 123.143 0.000 . 179 25 25 VAL H H 8.722 0.000 . 180 25 25 VAL HA H 5.092 0.010 . 181 25 25 VAL HB H 1.967 0.002 . 182 25 25 VAL HG1 H 1.046 0.004 . 183 25 25 VAL HG2 H 0.941 0.002 . 184 25 25 VAL C C 176.125 0.000 . 185 25 25 VAL CA C 62.065 0.000 . 186 25 25 VAL CB C 32.921 0.000 . 187 25 25 VAL CG1 C 21.414 0.000 . 188 25 25 VAL CG2 C 21.709 0.000 . 189 25 25 VAL N N 125.325 0.000 . 190 26 26 GLU H H 9.396 0.000 . 191 26 26 GLU HA H 4.803 0.000 . 192 26 26 GLU HB2 H 1.824 0.007 . 193 26 26 GLU HB3 H 2.047 0.005 . 194 26 26 GLU HG2 H 2.146 0.004 . 195 26 26 GLU HG3 H 2.222 0.008 . 196 26 26 GLU C C 176.166 0.000 . 197 26 26 GLU CA C 54.712 0.000 . 198 26 26 GLU CB C 34.101 0.000 . 199 26 26 GLU CG C 36.167 0.000 . 200 26 26 GLU N N 126.303 0.000 . 201 27 27 GLY H H 8.413 0.000 . 202 27 27 GLY HA2 H 3.760 0.007 . 203 27 27 GLY HA3 H 4.408 0.008 . 204 27 27 GLY C C 172.456 0.000 . 205 27 27 GLY CA C 44.133 0.000 . 206 27 27 GLY N N 107.478 0.000 . 207 28 28 LYS H H 8.013 0.000 . 208 28 28 LYS HA H 4.564 0.000 . 209 28 28 LYS HB2 H 1.702 0.005 . 210 28 28 LYS HB3 H 1.809 0.005 . 211 28 28 LYS HG2 H 1.359 0.002 . 212 28 28 LYS HG3 H 1.359 0.000 . 213 28 28 LYS HD2 H 1.684 0.000 . 214 28 28 LYS HD3 H 1.684 0.000 . 215 28 28 LYS HE2 H 2.984 0.000 . 216 28 28 LYS HE3 H 2.984 0.000 . 217 28 28 LYS C C 176.343 0.000 . 218 28 28 LYS CA C 54.984 0.000 . 219 28 28 LYS CB C 36.167 0.000 . 220 28 28 LYS CG C 24.364 0.000 . 221 28 28 LYS CD C 29.085 0.000 . 222 28 28 LYS N N 115.064 0.000 . 223 29 29 GLY H H 8.998 0.000 . 224 29 29 GLY HA2 H 3.746 0.001 . 225 29 29 GLY HA3 H 3.968 0.002 . 226 29 29 GLY CA C 46.789 0.000 . 227 29 29 GLY N N 111.682 0.000 . 228 30 30 ASN HA H 4.674 0.002 . 229 30 30 ASN HB2 H 2.915 0.003 . 230 30 30 ASN HB3 H 2.915 0.000 . 231 30 30 ASN C C 175.808 0.000 . 232 30 30 ASN CA C 54.099 0.000 . 233 30 30 ASN CB C 37.642 0.000 . 234 31 31 GLY H H 8.423 0.000 . 235 31 31 GLY HA2 H 3.731 0.002 . 236 31 31 GLY HA3 H 4.413 0.001 . 237 31 31 GLY C C 173.811 0.000 . 238 31 31 GLY CA C 45.019 0.000 . 239 31 31 GLY N N 108.493 0.000 . 240 32 32 ILE H H 6.992 0.000 . 241 32 32 ILE HA H 4.334 0.000 . 242 32 32 ILE HB H 1.448 0.004 . 243 32 32 ILE HG12 H 0.756 0.002 . 244 32 32 ILE HG13 H 1.410 0.004 . 245 32 32 ILE HG2 H 0.732 0.008 . 246 32 32 ILE HD1 H 0.833 0.003 . 247 32 32 ILE C C 174.970 0.000 . 248 32 32 ILE CA C 62.360 0.000 . 249 32 32 ILE CB C 38.822 0.000 . 250 32 32 ILE CG1 C 28.790 0.000 . 251 32 32 ILE CG2 C 17.283 0.000 . 252 32 32 ILE CD1 C 14.037 0.000 . 253 32 32 ILE N N 121.946 0.000 . 254 33 33 LYS H H 9.098 0.000 . 255 33 33 LYS HA H 5.116 0.003 . 256 33 33 LYS HB2 H 1.645 0.002 . 257 33 33 LYS HB3 H 1.763 0.002 . 258 33 33 LYS HG2 H 1.296 0.001 . 259 33 33 LYS HG3 H 1.493 0.002 . 260 33 33 LYS HD2 H 1.572 0.007 . 261 33 33 LYS HD3 H 1.601 0.001 . 262 33 33 LYS HE2 H 2.917 0.003 . 263 33 33 LYS HE3 H 2.917 0.000 . 264 33 33 LYS C C 173.490 0.000 . 265 33 33 LYS CA C 55.574 0.000 . 266 33 33 LYS CB C 35.282 0.000 . 267 33 33 LYS CG C 23.479 0.000 . 268 33 33 LYS CD C 29.085 0.000 . 269 33 33 LYS CE C 42.068 0.000 . 270 33 33 LYS N N 126.755 0.000 . 271 34 34 THR H H 9.319 0.000 . 272 34 34 THR HA H 4.894 0.000 . 273 34 34 THR HB H 4.252 0.002 . 274 34 34 THR HG2 H 1.206 0.008 . 275 34 34 THR C C 172.598 0.000 . 276 34 34 THR CA C 62.938 0.000 . 277 34 34 THR CB C 70.327 0.000 . 278 34 34 THR CG2 C 21.414 0.000 . 279 34 34 THR N N 117.350 0.000 . 280 35 35 VAL H H 9.478 0.000 . 281 35 35 VAL HA H 4.365 0.003 . 282 35 35 VAL HB H 2.200 0.001 . 283 35 35 VAL HG1 H 0.913 0.002 . 284 35 35 VAL C C 176.290 0.000 . 285 35 35 VAL CA C 61.181 0.000 . 286 35 35 VAL CB C 33.216 0.000 . 287 35 35 VAL CG1 C 20.528 0.000 . 288 35 35 VAL N N 128.436 0.000 . 289 36 36 ILE H H 9.050 0.000 . 290 36 36 ILE HA H 4.865 0.000 . 291 36 36 ILE HB H 2.247 0.003 . 292 36 36 ILE HG12 H 1.212 0.002 . 293 36 36 ILE HG13 H 1.620 0.002 . 294 36 36 ILE HD1 H 1.050 0.001 . 295 36 36 ILE C C 177.485 0.000 . 296 36 36 ILE CA C 61.170 0.000 . 297 36 36 ILE CB C 35.282 0.000 . 298 36 36 ILE CG1 C 28.790 0.000 . 299 36 36 ILE CD1 C 14.922 0.000 . 300 36 36 ILE N N 128.335 0.000 . 301 37 37 VAL H H 8.256 0.000 . 302 37 37 VAL HA H 3.818 0.003 . 303 37 37 VAL HB H 1.886 0.002 . 304 37 37 VAL HG1 H 1.069 0.005 . 305 37 37 VAL HG2 H 1.089 0.007 . 306 37 37 VAL C C 176.736 0.000 . 307 37 37 VAL CA C 66.196 0.000 . 308 37 37 VAL CB C 32.626 0.000 . 309 37 37 VAL CG1 C 20.528 0.000 . 310 37 37 VAL CG2 C 22.299 0.000 . 311 37 37 VAL N N 128.460 0.000 . 312 38 38 ASN H H 8.262 0.000 . 313 38 38 ASN HA H 5.522 0.003 . 314 38 38 ASN HB2 H 2.689 0.008 . 315 38 38 ASN HB3 H 3.452 0.005 . 316 38 38 ASN C C 175.844 0.000 . 317 38 38 ASN CA C 51.442 0.000 . 318 38 38 ASN CB C 37.642 0.000 . 319 38 38 ASN N N 116.033 0.000 . 320 39 39 MET H H 7.576 0.000 . 321 39 39 MET HA H 4.191 0.002 . 322 39 39 MET HE H 2.008 0.002 . 323 39 39 MET C C 177.521 0.000 . 324 39 39 MET CA C 58.229 0.000 . 325 39 39 MET CB C 33.534 0.000 . 326 39 39 MET CE C 19.053 0.000 . 327 39 39 MET N N 119.158 0.000 . 328 40 40 VAL H H 8.854 0.000 . 329 40 40 VAL HA H 3.446 0.005 . 330 40 40 VAL HB H 2.182 0.009 . 331 40 40 VAL HG1 H 1.018 0.006 . 332 40 40 VAL HG2 H 1.155 0.007 . 333 40 40 VAL C C 177.681 0.000 . 334 40 40 VAL CA C 67.671 0.000 . 335 40 40 VAL CB C 31.151 0.000 . 336 40 40 VAL CG1 C 20.824 0.000 . 337 40 40 VAL CG2 C 23.479 0.000 . 338 40 40 VAL N N 116.873 0.000 . 339 41 41 ASP H H 7.572 0.000 . 340 41 41 ASP HA H 4.493 0.006 . 341 41 41 ASP HB2 H 2.723 0.002 . 342 41 41 ASP HB3 H 2.723 0.000 . 343 41 41 ASP C C 179.286 0.000 . 344 41 41 ASP CA C 57.334 0.000 . 345 41 41 ASP CB C 41.183 0.000 . 346 41 41 ASP N N 120.513 0.000 . 347 42 42 VAL H H 8.064 0.000 . 348 42 42 VAL HA H 3.407 0.003 . 349 42 42 VAL HB H 2.019 0.004 . 350 42 42 VAL HG1 H 0.872 0.009 . 351 42 42 VAL HG2 H 0.995 0.008 . 352 42 42 VAL C C 176.450 0.000 . 353 42 42 VAL CA C 67.671 0.000 . 354 42 42 VAL CB C 32.036 0.000 . 355 42 42 VAL CG1 C 21.414 0.000 . 356 42 42 VAL CG2 C 22.594 0.000 . 357 42 42 VAL N N 122.180 0.000 . 358 43 43 ALA H H 8.792 0.000 . 359 43 43 ALA HA H 3.705 0.003 . 360 43 43 ALA HB H 1.415 0.001 . 361 43 43 ALA C C 179.518 0.000 . 362 43 43 ALA CA C 55.869 0.000 . 363 43 43 ALA CB C 17.283 0.000 . 364 43 43 ALA N N 120.721 0.000 . 365 44 44 LYS H H 8.058 0.000 . 366 44 44 LYS HA H 4.236 0.000 . 367 44 44 LYS HB2 H 1.982 0.002 . 368 44 44 LYS HB3 H 2.049 0.002 . 369 44 44 LYS HG2 H 1.669 0.005 . 370 44 44 LYS HG3 H 1.669 0.000 . 371 44 44 LYS HD2 H 1.774 0.002 . 372 44 44 LYS HD3 H 1.774 0.000 . 373 44 44 LYS HE2 H 2.998 0.000 . 374 44 44 LYS HE3 H 2.998 0.000 . 375 44 44 LYS C C 180.249 0.000 . 376 44 44 LYS CA C 59.705 0.000 . 377 44 44 LYS CB C 32.331 0.000 . 378 44 44 LYS CG C 25.249 0.000 . 379 44 44 LYS CD C 29.380 0.000 . 380 44 44 LYS N N 117.976 0.000 . 381 45 45 ALA H H 7.473 0.000 . 382 45 45 ALA HA H 4.388 0.000 . 383 45 45 ALA HB H 1.789 0.002 . 384 45 45 ALA C C 177.895 0.000 . 385 45 45 ALA CA C 54.507 0.000 . 386 45 45 ALA CB C 18.168 0.000 . 387 45 45 ALA N N 121.988 0.000 . 388 46 46 LEU H H 7.421 0.000 . 389 46 46 LEU HA H 4.363 0.001 . 390 46 46 LEU HB2 H 1.681 0.001 . 391 46 46 LEU HB3 H 1.796 0.002 . 392 46 46 LEU HG H 2.237 0.001 . 393 46 46 LEU HD1 H 1.020 0.001 . 394 46 46 LEU HD2 H 0.845 0.003 . 395 46 46 LEU C C 176.147 0.000 . 396 46 46 LEU CA C 54.099 0.000 . 397 46 46 LEU CB C 41.773 0.000 . 398 46 46 LEU CG C 25.545 0.000 . 399 46 46 LEU CD1 C 23.184 0.000 . 400 46 46 LEU CD2 C 25.840 0.000 . 401 46 46 LEU N N 113.589 0.000 . 402 47 47 ASN H H 8.181 0.000 . 403 47 47 ASN HA H 4.478 0.003 . 404 47 47 ASN HB2 H 2.766 0.002 . 405 47 47 ASN HB3 H 3.378 0.009 . 406 47 47 ASN C C 175.773 0.000 . 407 47 47 ASN CA C 54.099 0.000 . 408 47 47 ASN CB C 37.937 0.000 . 409 47 47 ASN N N 117.953 0.000 . 410 48 48 ARG H H 8.005 0.000 . 411 48 48 ARG HA H 5.008 0.003 . 412 48 48 ARG HG2 H 2.013 0.000 . 413 48 48 ARG HG3 H 2.013 0.000 . 414 48 48 ARG CA C 51.148 0.000 . 415 48 48 ARG CG C 27.315 0.000 . 416 48 48 ARG N N 117.225 0.000 . 417 50 50 PRO HA H 3.655 0.003 . 418 50 50 PRO HB2 H 0.686 0.000 . 419 50 50 PRO HB3 H 1.438 0.001 . 420 50 50 PRO HG2 H 1.951 0.002 . 421 50 50 PRO HG3 H 1.951 0.000 . 422 50 50 PRO HD2 H 3.597 0.001 . 423 50 50 PRO HD3 H 3.928 0.003 . 424 50 50 PRO C C 176.343 0.000 . 425 50 50 PRO CA C 64.426 0.000 . 426 50 50 PRO CB C 30.561 0.000 . 427 50 50 PRO CG C 27.905 0.000 . 428 50 50 PRO CD C 50.558 0.000 . 429 51 51 THR H H 7.005 0.000 . 430 51 51 THR HA H 3.372 0.007 . 431 51 51 THR HB H 3.938 0.002 . 432 51 51 THR HG2 H 0.735 0.004 . 433 51 51 THR C C 175.844 0.000 . 434 51 51 THR CA C 63.541 0.000 . 435 51 51 THR CB C 68.557 0.000 . 436 51 51 THR CG2 C 22.299 0.000 . 437 51 51 THR N N 108.086 0.000 . 438 52 52 TYR H H 7.812 0.000 . 439 52 52 TYR CA C 60.141 0.000 . 440 52 52 TYR N N 119.597 0.000 . 441 53 53 PRO C C 175.487 0.000 . 442 53 53 PRO CA C 63.981 0.000 . 443 54 54 THR H H 6.060 0.000 . 444 54 54 THR HA H 4.136 0.002 . 445 54 54 THR HB H 4.571 0.000 . 446 54 54 THR HG2 H 1.377 0.003 . 447 54 54 THR C C 175.077 0.000 . 448 54 54 THR CA C 68.557 0.000 . 449 54 54 THR CG2 C 22.299 0.000 . 450 54 54 THR N N 110.124 0.000 . 451 55 55 LYS H H 8.222 0.000 . 452 55 55 LYS C C 178.484 0.000 . 453 55 55 LYS CA C 57.081 0.000 . 454 55 55 LYS CB C 32.946 0.000 . 455 55 55 LYS N N 119.620 0.000 . 456 56 56 TYR H H 8.312 0.000 . 457 56 56 TYR HA H 3.830 0.003 . 458 56 56 TYR HB2 H 2.940 0.004 . 459 56 56 TYR HB3 H 2.940 0.000 . 460 56 56 TYR C C 176.647 0.000 . 461 56 56 TYR CA C 63.451 0.000 . 462 56 56 TYR CB C 42.953 0.000 . 463 56 56 TYR N N 121.813 0.000 . 464 57 57 PHE H H 8.043 0.000 . 465 57 57 PHE HA H 4.550 0.008 . 466 57 57 PHE HB2 H 2.946 0.003 . 467 57 57 PHE HB3 H 3.441 0.007 . 468 57 57 PHE HD1 H 7.133 0.004 . 469 57 57 PHE HD2 H 7.133 0.000 . 470 57 57 PHE C C 178.091 0.000 . 471 57 57 PHE CA C 58.229 0.000 . 472 57 57 PHE CB C 37.347 0.000 . 473 57 57 PHE CD1 C 131.271 0.000 . 474 57 57 PHE CD2 C 131.271 0.000 . 475 57 57 PHE N N 117.131 0.000 . 476 58 58 GLY H H 7.888 0.000 . 477 58 58 GLY HA2 H 3.732 0.001 . 478 58 58 GLY HA3 H 4.102 0.003 . 479 58 58 GLY C C 176.593 0.000 . 480 58 58 GLY CA C 48.787 0.000 . 481 58 58 GLY N N 104.830 0.000 . 482 59 59 CYS H H 8.704 0.000 . 483 59 59 CYS HA H 4.149 0.006 . 484 59 59 CYS HB2 H 2.935 0.000 . 485 59 59 CYS HB3 H 3.211 0.003 . 486 59 59 CYS C C 177.360 0.000 . 487 59 59 CYS CA C 63.541 0.000 . 488 59 59 CYS CB C 27.020 0.000 . 489 59 59 CYS N N 119.808 0.000 . 490 60 60 GLU H H 8.169 0.000 . 491 60 60 GLU HA H 3.922 0.002 . 492 60 60 GLU HG2 H 1.724 0.001 . 493 60 60 GLU HG3 H 1.998 0.003 . 494 60 60 GLU C C 178.733 0.000 . 495 60 60 GLU CA C 58.581 0.000 . 496 60 60 GLU CB C 30.424 0.000 . 497 60 60 GLU CG C 36.757 0.000 . 498 60 60 GLU N N 118.681 0.000 . 499 61 61 LEU H H 8.277 0.000 . 500 61 61 LEU HA H 4.302 0.002 . 501 61 61 LEU HB2 H 1.379 0.002 . 502 61 61 LEU HB3 H 1.640 0.000 . 503 61 61 LEU HG H 1.589 0.006 . 504 61 61 LEU HD1 H 0.849 0.005 . 505 61 61 LEU HD2 H -0.016 0.002 . 506 61 61 LEU C C 177.788 0.000 . 507 61 61 LEU CA C 55.279 0.000 . 508 61 61 LEU CB C 43.248 0.000 . 509 61 61 LEU CG C 26.430 0.000 . 510 61 61 LEU CD1 C 22.594 0.000 . 511 61 61 LEU CD2 C 24.364 0.000 . 512 61 61 LEU N N 116.321 0.000 . 513 62 62 GLY H H 7.821 0.000 . 514 62 62 GLY HA2 H 3.867 0.000 . 515 62 62 GLY HA3 H 3.963 0.003 . 516 62 62 GLY C C 173.793 0.000 . 517 62 62 GLY CA C 46.789 0.000 . 518 62 62 GLY N N 110.623 0.000 . 519 63 63 ALA H H 8.340 0.000 . 520 63 63 ALA HA H 4.823 0.000 . 521 63 63 ALA HB H 1.338 0.002 . 522 63 63 ALA C C 176.504 0.000 . 523 63 63 ALA CA C 50.054 0.000 . 524 63 63 ALA CB C 23.774 0.000 . 525 63 63 ALA N N 121.971 0.000 . 526 64 64 GLN H H 8.682 0.000 . 527 64 64 GLN HA H 4.299 0.001 . 528 64 64 GLN HB2 H 1.958 0.001 . 529 64 64 GLN HB3 H 2.112 0.002 . 530 64 64 GLN HG2 H 2.439 0.007 . 531 64 64 GLN HG3 H 2.508 0.006 . 532 64 64 GLN C C 174.542 0.000 . 533 64 64 GLN CA C 56.164 0.000 . 534 64 64 GLN CB C 29.380 0.000 . 535 64 64 GLN CG C 33.806 0.000 . 536 64 64 GLN N N 120.710 0.000 . 537 65 65 THR H H 8.055 0.000 . 538 65 65 THR HA H 5.119 0.003 . 539 65 65 THR HB H 4.038 0.001 . 540 65 65 THR HG2 H 1.300 0.001 . 541 65 65 THR C C 173.954 0.000 . 542 65 65 THR CA C 59.115 0.000 . 543 65 65 THR CB C 73.278 0.000 . 544 65 65 THR CG2 C 22.889 0.000 . 545 65 65 THR N N 110.105 0.000 . 546 66 66 GLN H H 8.652 0.000 . 547 66 66 GLN HA H 4.363 0.002 . 548 66 66 GLN HB2 H 1.762 0.002 . 549 66 66 GLN HB3 H 1.903 0.002 . 550 66 66 GLN HG2 H 2.115 0.002 . 551 66 66 GLN HG3 H 2.190 0.008 . 552 66 66 GLN C C 173.080 0.000 . 553 66 66 GLN CA C 54.984 0.000 . 554 66 66 GLN CB C 32.626 0.000 . 555 66 66 GLN CG C 33.806 0.000 . 556 66 66 GLN N N 118.127 0.000 . 557 67 67 PHE H H 8.496 0.000 . 558 67 67 PHE HA H 5.203 0.008 . 559 67 67 PHE HB2 H 3.090 0.001 . 560 67 67 PHE HB3 H 3.090 0.000 . 561 67 67 PHE HD1 H 7.283 0.002 . 562 67 67 PHE HD2 H 7.283 0.000 . 563 67 67 PHE HE1 H 7.389 0.002 . 564 67 67 PHE HE2 H 7.389 0.000 . 565 67 67 PHE HZ H 7.113 0.002 . 566 67 67 PHE C C 174.756 0.000 . 567 67 67 PHE CA C 53.213 0.000 . 568 67 67 PHE CB C 40.298 0.000 . 569 67 67 PHE CD1 C 133.041 0.000 . 570 67 67 PHE CD2 C 133.041 0.000 . 571 67 67 PHE CE1 C 131.271 0.000 . 572 67 67 PHE CE2 C 131.271 0.000 . 573 67 67 PHE CZ C 130.386 0.000 . 574 67 67 PHE N N 120.865 0.000 . 575 68 68 ASP H H 8.700 0.000 . 576 68 68 ASP CA C 52.217 0.000 . 577 68 68 ASP N N 124.297 0.000 . 578 69 69 VAL H H 8.415 0.000 . 579 69 69 VAL HA H 3.753 0.006 . 580 69 69 VAL HB H 2.189 0.005 . 581 69 69 VAL HG1 H 1.139 0.006 . 582 69 69 VAL HG2 H 1.065 0.002 . 583 69 69 VAL C C 179.072 0.000 . 584 69 69 VAL CA C 65.331 0.000 . 585 69 69 VAL CB C 31.741 0.000 . 586 69 69 VAL CG1 C 20.824 0.000 . 587 69 69 VAL CG2 C 21.119 0.000 . 588 69 69 VAL N N 122.908 0.000 . 589 70 70 LYS H H 8.388 0.000 . 590 70 70 LYS HA H 4.155 0.002 . 591 70 70 LYS HB2 H 1.845 0.002 . 592 70 70 LYS HB3 H 1.928 0.000 . 593 70 70 LYS HG2 H 1.465 0.002 . 594 70 70 LYS HG3 H 1.495 0.003 . 595 70 70 LYS HD2 H 1.756 0.002 . 596 70 70 LYS HD3 H 1.756 0.000 . 597 70 70 LYS C C 176.039 0.000 . 598 70 70 LYS CA C 58.820 0.000 . 599 70 70 LYS CB C 32.036 0.000 . 600 70 70 LYS CG C 24.954 0.000 . 601 70 70 LYS CD C 29.085 0.000 . 602 70 70 LYS N N 120.936 0.000 . 603 71 71 ASN H H 7.192 0.000 . 604 71 71 ASN HA H 4.965 0.001 . 605 71 71 ASN HB2 H 2.261 0.002 . 606 71 71 ASN HB3 H 2.893 0.001 . 607 71 71 ASN HD21 H 6.971 0.000 . 608 71 71 ASN HD22 H 8.741 0.000 . 609 71 71 ASN C C 173.000 0.000 . 610 71 71 ASN CA C 52.620 0.000 . 611 71 71 ASN CB C 39.412 0.000 . 612 71 71 ASN N N 113.151 0.000 . 613 71 71 ASN ND2 N 117.759 0.000 . 614 72 72 ASP H H 7.866 0.000 . 615 72 72 ASP HA H 4.399 0.011 . 616 72 72 ASP HB2 H 2.801 0.002 . 617 72 72 ASP HB3 H 3.238 0.003 . 618 72 72 ASP C C 174.417 0.000 . 619 72 72 ASP CA C 55.869 0.000 . 620 72 72 ASP CB C 39.707 0.000 . 621 72 72 ASP N N 118.399 0.000 . 622 73 73 ARG H H 7.732 0.000 . 623 73 73 ARG HA H 4.697 0.000 . 624 73 73 ARG HB2 H 1.599 0.003 . 625 73 73 ARG HB3 H 1.599 0.000 . 626 73 73 ARG HG2 H 1.594 0.004 . 627 73 73 ARG HG3 H 1.594 0.000 . 628 73 73 ARG HD2 H 2.500 0.000 . 629 73 73 ARG HD3 H 2.845 0.008 . 630 73 73 ARG C C 173.187 0.000 . 631 73 73 ARG CA C 54.902 0.000 . 632 73 73 ARG CB C 33.216 0.000 . 633 73 73 ARG CG C 27.020 0.000 . 634 73 73 ARG CD C 40.888 0.000 . 635 73 73 ARG N N 117.478 0.000 . 636 74 74 TYR H H 8.803 0.000 . 637 74 74 TYR HA H 4.655 0.000 . 638 74 74 TYR HB2 H 2.784 0.005 . 639 74 74 TYR HB3 H 3.408 0.007 . 640 74 74 TYR HD1 H 7.089 0.000 . 641 74 74 TYR HD2 H 7.089 0.000 . 642 74 74 TYR HE1 H 6.413 0.006 . 643 74 74 TYR HE2 H 6.413 0.000 . 644 74 74 TYR C C 173.829 0.000 . 645 74 74 TYR CA C 59.323 0.000 . 646 74 74 TYR CB C 38.822 0.000 . 647 74 74 TYR CD1 C 133.926 0.000 . 648 74 74 TYR CD2 C 133.926 0.000 . 649 74 74 TYR CE1 C 117.470 0.000 . 650 74 74 TYR CE2 C 117.470 0.000 . 651 74 74 TYR N N 125.726 0.000 . 652 75 75 ILE H H 8.558 0.000 . 653 75 75 ILE HA H 5.129 0.003 . 654 75 75 ILE HB H 1.743 0.003 . 655 75 75 ILE HG12 H 0.954 0.004 . 656 75 75 ILE HG13 H 1.437 0.002 . 657 75 75 ILE HG2 H 0.794 0.002 . 658 75 75 ILE HD1 H 0.736 0.001 . 659 75 75 ILE C C 174.721 0.000 . 660 75 75 ILE CA C 60.295 0.000 . 661 75 75 ILE CB C 42.953 0.000 . 662 75 75 ILE CG1 C 28.790 0.000 . 663 75 75 ILE CG2 C 18.758 0.000 . 664 75 75 ILE CD1 C 14.037 0.000 . 665 75 75 ILE N N 123.965 0.000 . 666 76 76 VAL H H 9.065 0.000 . 667 76 76 VAL HA H 4.485 0.003 . 668 76 76 VAL HB H 1.815 0.002 . 669 76 76 VAL HG1 H 0.789 0.005 . 670 76 76 VAL HG2 H 0.993 0.003 . 671 76 76 VAL C C 174.435 0.000 . 672 76 76 VAL CA C 60.295 0.000 . 673 76 76 VAL CB C 34.691 0.000 . 674 76 76 VAL CG1 C 21.119 0.000 . 675 76 76 VAL CG2 C 21.414 0.000 . 676 76 76 VAL N N 125.150 0.000 . 677 77 77 ASN H H 8.849 0.000 . 678 77 77 ASN HA H 4.523 0.004 . 679 77 77 ASN HB2 H 2.934 0.003 . 680 77 77 ASN HB3 H 2.934 0.000 . 681 77 77 ASN HD21 H 6.696 0.000 . 682 77 77 ASN HD22 H 7.330 0.000 . 683 77 77 ASN C C 175.684 0.000 . 684 77 77 ASN CA C 55.896 0.000 . 685 77 77 ASN CB C 38.527 0.000 . 686 77 77 ASN N N 127.933 0.000 . 687 77 77 ASN ND2 N 108.315 0.000 . 688 78 78 GLY H H 8.178 0.000 . 689 78 78 GLY HA2 H 3.399 0.002 . 690 78 78 GLY HA3 H 4.305 0.007 . 691 78 78 GLY C C 171.635 0.000 . 692 78 78 GLY CA C 43.838 0.000 . 693 78 78 GLY N N 108.692 0.000 . 694 79 79 SER H H 7.889 0.000 . 695 79 79 SER HA H 4.047 0.001 . 696 79 79 SER HB2 H 3.363 0.002 . 697 79 79 SER HB3 H 3.631 0.001 . 698 79 79 SER C C 172.670 0.000 . 699 79 79 SER CA C 55.869 0.000 . 700 79 79 SER CB C 63.245 0.000 . 701 79 79 SER N N 112.613 0.000 . 702 80 80 HIS H H 7.920 0.000 . 703 80 80 HIS HA H 4.809 0.000 . 704 80 80 HIS HB2 H 2.543 0.005 . 705 80 80 HIS HB3 H 2.543 0.000 . 706 80 80 HIS HD2 H 6.367 0.000 . 707 80 80 HIS C C 173.668 0.000 . 708 80 80 HIS CA C 54.381 0.000 . 709 80 80 HIS CB C 33.216 0.000 . 710 80 80 HIS CD2 C 116.945 0.000 . 711 80 80 HIS N N 126.338 0.000 . 712 81 81 GLU H H 8.726 0.000 . 713 81 81 GLU HA H 4.223 0.003 . 714 81 81 GLU HB2 H 1.983 0.002 . 715 81 81 GLU HB3 H 2.319 0.005 . 716 81 81 GLU HG2 H 2.414 0.006 . 717 81 81 GLU HG3 H 2.474 0.005 . 718 81 81 GLU C C 177.610 0.000 . 719 81 81 GLU CA C 56.459 0.000 . 720 81 81 GLU CB C 30.561 0.000 . 721 81 81 GLU CG C 36.757 0.000 . 722 81 81 GLU N N 121.990 0.000 . 723 82 82 ALA H H 9.004 0.000 . 724 82 82 ALA HA H 3.714 0.003 . 725 82 82 ALA HB H 1.582 0.004 . 726 82 82 ALA C C 178.912 0.000 . 727 82 82 ALA CA C 56.459 0.000 . 728 82 82 ALA CB C 18.168 0.000 . 729 82 82 ALA N N 125.325 0.000 . 730 83 83 ASN H H 8.911 0.000 . 731 83 83 ASN HA H 4.418 0.002 . 732 83 83 ASN HB2 H 2.898 0.007 . 733 83 83 ASN HB3 H 2.898 0.000 . 734 83 83 ASN C C 176.896 0.000 . 735 83 83 ASN CA C 56.754 0.000 . 736 83 83 ASN CB C 37.347 0.000 . 737 83 83 ASN N N 113.462 0.000 . 738 84 84 LYS H H 6.981 0.000 . 739 84 84 LYS HA H 4.283 0.007 . 740 84 84 LYS HB2 H 2.025 0.004 . 741 84 84 LYS HB3 H 2.083 0.005 . 742 84 84 LYS HG2 H 1.353 0.007 . 743 84 84 LYS HG3 H 1.697 0.010 . 744 84 84 LYS HD2 H 1.553 0.000 . 745 84 84 LYS HD3 H 1.553 0.000 . 746 84 84 LYS HE2 H 3.040 0.000 . 747 84 84 LYS HE3 H 3.040 0.000 . 748 84 84 LYS C C 179.429 0.000 . 749 84 84 LYS CA C 58.820 0.000 . 750 84 84 LYS CB C 32.036 0.000 . 751 84 84 LYS CG C 24.659 0.000 . 752 84 84 LYS CD C 29.085 0.000 . 753 84 84 LYS N N 120.583 0.000 . 754 85 85 LEU H H 7.641 0.000 . 755 85 85 LEU HA H 3.647 0.005 . 756 85 85 LEU HB2 H 0.628 0.002 . 757 85 85 LEU HB3 H 1.698 0.005 . 758 85 85 LEU HG H 1.434 0.003 . 759 85 85 LEU HD1 H -0.111 0.002 . 760 85 85 LEU HD2 H 0.433 0.003 . 761 85 85 LEU C C 178.056 0.000 . 762 85 85 LEU CA C 57.270 0.000 . 763 85 85 LEU CB C 40.888 0.000 . 764 85 85 LEU CG C 25.545 0.000 . 765 85 85 LEU CD1 C 20.528 0.000 . 766 85 85 LEU CD2 C 25.840 0.000 . 767 85 85 LEU N N 118.540 0.000 . 768 86 86 GLN H H 9.116 0.000 . 769 86 86 GLN C C 178.929 0.000 . 770 86 86 GLN CA C 58.755 0.000 . 771 86 86 GLN CB C 29.667 0.000 . 772 86 86 GLN N N 121.638 0.000 . 773 87 87 ASP H H 7.968 0.000 . 774 87 87 ASP C C 179.821 0.000 . 775 87 87 ASP CA C 57.428 0.000 . 776 87 87 ASP N N 120.466 0.000 . 777 88 88 MET H H 8.216 0.000 . 778 88 88 MET HA H 4.537 0.002 . 779 88 88 MET HB2 H 2.398 0.007 . 780 88 88 MET HB3 H 2.542 0.002 . 781 88 88 MET HG2 H 2.809 0.001 . 782 88 88 MET HG3 H 3.029 0.001 . 783 88 88 MET HE H 2.096 0.004 . 784 88 88 MET C C 179.322 0.000 . 785 88 88 MET CA C 59.410 0.000 . 786 88 88 MET CB C 34.396 0.000 . 787 88 88 MET CG C 33.216 0.000 . 788 88 88 MET CE C 18.168 0.000 . 789 88 88 MET N N 120.301 0.000 . 790 89 89 LEU H H 9.137 0.000 . 791 89 89 LEU HA H 4.154 0.001 . 792 89 89 LEU HD1 H 0.712 0.003 . 793 89 89 LEU HD2 H 1.007 0.002 . 794 89 89 LEU C C 177.913 0.000 . 795 89 89 LEU CA C 57.334 0.000 . 796 89 89 LEU CD1 C 23.479 0.000 . 797 89 89 LEU CD2 C 27.020 0.000 . 798 89 89 LEU N N 122.391 0.000 . 799 90 90 ASP H H 7.596 0.000 . 800 90 90 ASP HA H 4.596 0.004 . 801 90 90 ASP HB2 H 2.851 0.003 . 802 90 90 ASP HB3 H 3.110 0.001 . 803 90 90 ASP C C 178.751 0.000 . 804 90 90 ASP CA C 58.820 0.000 . 805 90 90 ASP CB C 40.003 0.000 . 806 90 90 ASP N N 118.164 0.000 . 807 91 91 GLY H H 7.868 0.000 . 808 91 91 GLY C C 175.666 0.000 . 809 91 91 GLY CA C 47.102 0.000 . 810 91 91 GLY N N 108.991 0.000 . 811 92 92 PHE H H 7.096 0.000 . 812 92 92 PHE HA H 3.428 0.001 . 813 92 92 PHE C C 176.450 0.000 . 814 92 92 PHE CA C 61.771 0.000 . 815 92 92 PHE CB C 41.183 0.000 . 816 92 92 PHE N N 122.415 0.000 . 817 93 93 ILE H H 8.795 0.000 . 818 93 93 ILE CA C 64.691 0.000 . 819 93 93 ILE N N 120.710 0.000 . 820 94 94 LYS H H 8.445 0.000 . 821 94 94 LYS HA H 3.735 0.002 . 822 94 94 LYS HB2 H 1.924 0.004 . 823 94 94 LYS HB3 H 1.924 0.000 . 824 94 94 LYS HG2 H 1.477 0.002 . 825 94 94 LYS HG3 H 1.477 0.000 . 826 94 94 LYS HD2 H 1.642 0.006 . 827 94 94 LYS HD3 H 1.688 0.009 . 828 94 94 LYS C C 176.379 0.000 . 829 94 94 LYS CA C 60.000 0.000 . 830 94 94 LYS CB C 32.626 0.000 . 831 94 94 LYS CG C 25.249 0.000 . 832 94 94 LYS CD C 29.085 0.000 . 833 94 94 LYS N N 121.971 0.000 . 834 95 95 LYS H H 7.317 0.000 . 835 95 95 LYS HA H 3.932 0.000 . 836 95 95 LYS HB2 H 0.821 0.000 . 837 95 95 LYS HB3 H 1.328 0.004 . 838 95 95 LYS HG2 H 0.976 0.002 . 839 95 95 LYS HG3 H 1.319 0.007 . 840 95 95 LYS HE2 H 3.040 0.000 . 841 95 95 LYS HE3 H 3.040 0.000 . 842 95 95 LYS C C 178.180 0.000 . 843 95 95 LYS CA C 58.524 0.000 . 844 95 95 LYS CB C 34.691 0.000 . 845 95 95 LYS CG C 25.249 0.000 . 846 95 95 LYS N N 113.429 0.000 . 847 96 96 PHE H H 8.097 0.000 . 848 96 96 PHE HA H 4.428 0.008 . 849 96 96 PHE HB2 H 2.711 0.009 . 850 96 96 PHE HB3 H 2.711 0.000 . 851 96 96 PHE HD1 H 6.819 0.001 . 852 96 96 PHE HD2 H 6.819 0.000 . 853 96 96 PHE HE1 H 6.952 0.000 . 854 96 96 PHE HE2 H 6.952 0.000 . 855 96 96 PHE HZ H 6.660 0.000 . 856 96 96 PHE C C 175.131 0.000 . 857 96 96 PHE CA C 58.525 0.000 . 858 96 96 PHE CB C 40.298 0.000 . 859 96 96 PHE CD1 C 133.041 0.000 . 860 96 96 PHE CD2 C 133.041 0.000 . 861 96 96 PHE CE1 C 131.566 0.000 . 862 96 96 PHE CE2 C 131.566 0.000 . 863 96 96 PHE CZ C 130.591 0.000 . 864 96 96 PHE N N 110.663 0.000 . 865 97 97 VAL H H 7.494 0.000 . 866 97 97 VAL HA H 4.015 0.004 . 867 97 97 VAL HB H 2.410 0.001 . 868 97 97 VAL HG1 H 1.063 0.000 . 869 97 97 VAL HG2 H 0.757 0.001 . 870 97 97 VAL C C 173.900 0.000 . 871 97 97 VAL CA C 65.016 0.000 . 872 97 97 VAL CB C 34.101 0.000 . 873 97 97 VAL CG1 C 21.709 0.000 . 874 97 97 VAL CG2 C 23.184 0.000 . 875 97 97 VAL N N 119.479 0.000 . 876 98 98 LEU H H 8.054 0.000 . 877 98 98 LEU HA H 3.848 0.007 . 878 98 98 LEU HB2 H 0.581 0.001 . 879 98 98 LEU HB3 H 1.026 0.000 . 880 98 98 LEU HD1 H 0.571 0.001 . 881 98 98 LEU HD2 H 0.919 0.007 . 882 98 98 LEU C C 177.057 0.000 . 883 98 98 LEU CA C 55.574 0.000 . 884 98 98 LEU CD1 C 20.824 0.000 . 885 98 98 LEU CD2 C 16.988 0.000 . 886 98 98 LEU N N 115.627 0.000 . 887 99 99 CYS H H 8.524 0.000 . 888 99 99 CYS HA H 4.562 0.003 . 889 99 99 CYS HB2 H 3.283 0.000 . 890 99 99 CYS HB3 H 3.391 0.007 . 891 99 99 CYS CA C 57.934 0.000 . 892 99 99 CYS CB C 28.200 0.000 . 893 99 99 CYS N N 127.582 0.000 . 894 100 100 PRO C C 176.450 0.000 . 895 100 100 PRO CA C 64.107 0.000 . 896 101 101 GLU H H 8.880 0.000 . 897 101 101 GLU HA H 4.330 0.002 . 898 101 101 GLU HB2 H 1.672 0.000 . 899 101 101 GLU HB3 H 2.004 0.003 . 900 101 101 GLU HG2 H 1.945 0.002 . 901 101 101 GLU HG3 H 2.048 0.007 . 902 101 101 GLU C C 177.182 0.000 . 903 101 101 GLU CA C 58.229 0.000 . 904 101 101 GLU CB C 31.151 0.000 . 905 101 101 GLU CG C 36.167 0.000 . 906 101 101 GLU N N 121.262 0.000 . 907 102 102 CYS H H 9.179 0.000 . 908 102 102 CYS HA H 5.041 0.001 . 909 102 102 CYS HB2 H 2.622 0.002 . 910 102 102 CYS HB3 H 3.306 0.000 . 911 102 102 CYS C C 176.371 0.000 . 912 102 102 CYS CA C 58.820 0.000 . 913 102 102 CYS CB C 32.331 0.000 . 914 102 102 CYS N N 121.613 0.000 . 915 103 103 GLU H H 7.794 0.000 . 916 103 103 GLU HA H 4.080 0.007 . 917 103 103 GLU HB2 H 2.237 0.006 . 918 103 103 GLU HB3 H 2.413 0.008 . 919 103 103 GLU HG2 H 2.085 0.003 . 920 103 103 GLU HG3 H 2.085 0.000 . 921 103 103 GLU C C 174.114 0.000 . 922 103 103 GLU CA C 59.115 0.000 . 923 103 103 GLU CB C 27.610 0.000 . 924 103 103 GLU CG C 37.347 0.000 . 925 103 103 GLU N N 116.567 0.000 . 926 104 104 ASN H H 9.222 0.000 . 927 104 104 ASN HB2 H 2.500 0.007 . 928 104 104 ASN HB3 H 3.177 0.000 . 929 104 104 ASN CA C 53.718 0.000 . 930 104 104 ASN CB C 41.773 0.000 . 931 104 104 ASN N N 125.676 0.000 . 932 105 105 PRO C C 175.791 0.000 . 933 105 105 PRO CA C 63.255 0.000 . 934 105 105 PRO CB C 31.937 0.000 . 935 106 106 GLU H H 8.779 0.000 . 936 106 106 GLU HA H 4.467 0.000 . 937 106 106 GLU HB2 H 2.052 0.000 . 938 106 106 GLU HB3 H 2.168 0.000 . 939 106 106 GLU HG2 H 2.014 0.002 . 940 106 106 GLU HG3 H 2.324 0.002 . 941 106 106 GLU C C 174.400 0.000 . 942 106 106 GLU CA C 56.164 0.000 . 943 106 106 GLU CB C 28.200 0.000 . 944 106 106 GLU CG C 37.052 0.000 . 945 106 106 GLU N N 122.717 0.000 . 946 107 107 THR H H 8.117 0.000 . 947 107 107 THR HA H 5.524 0.004 . 948 107 107 THR HB H 4.823 0.000 . 949 107 107 THR HG2 H 1.220 0.001 . 950 107 107 THR C C 175.131 0.000 . 951 107 107 THR CA C 58.820 0.000 . 952 107 107 THR CG2 C 20.233 0.000 . 953 107 107 THR N N 111.100 0.000 . 954 108 108 ASP H H 9.119 0.000 . 955 108 108 ASP HA H 5.220 0.011 . 956 108 108 ASP HB2 H 2.439 0.003 . 957 108 108 ASP HB3 H 2.439 0.000 . 958 108 108 ASP C C 174.690 0.000 . 959 108 108 ASP CA C 53.213 0.000 . 960 108 108 ASP CB C 44.724 0.000 . 961 108 108 ASP N N 123.221 0.000 . 962 109 109 LEU H H 8.620 0.000 . 963 109 109 LEU HA H 5.226 0.003 . 964 109 109 LEU HB2 H 1.265 0.000 . 965 109 109 LEU HB3 H 1.844 0.004 . 966 109 109 LEU HG H 1.773 0.002 . 967 109 109 LEU HD1 H 1.006 0.001 . 968 109 109 LEU HD2 H 1.132 0.005 . 969 109 109 LEU C C 176.219 0.000 . 970 109 109 LEU CA C 53.213 0.000 . 971 109 109 LEU CB C 44.428 0.000 . 972 109 109 LEU CG C 27.020 0.000 . 973 109 109 LEU CD1 C 23.184 0.000 . 974 109 109 LEU CD2 C 25.840 0.000 . 975 109 109 LEU N N 117.952 0.000 . 976 110 110 HIS H H 8.954 0.000 . 977 110 110 HIS HA H 4.984 0.003 . 978 110 110 HIS HB2 H 2.873 0.006 . 979 110 110 HIS HB3 H 3.068 0.007 . 980 110 110 HIS C C 174.667 0.000 . 981 110 110 HIS CA C 54.394 0.000 . 982 110 110 HIS CB C 30.561 0.000 . 983 110 110 HIS N N 121.638 0.000 . 984 111 111 VAL H H 9.543 0.000 . 985 111 111 VAL HA H 4.388 0.000 . 986 111 111 VAL HB H 2.197 0.003 . 987 111 111 VAL HG1 H 1.026 0.002 . 988 111 111 VAL C C 174.524 0.000 . 989 111 111 VAL CA C 62.939 0.000 . 990 111 111 VAL CB C 33.216 0.000 . 991 111 111 VAL CG1 C 22.299 0.000 . 992 111 111 VAL N N 127.906 0.000 . 993 112 112 ASN H H 8.871 0.000 . 994 112 112 ASN HA H 5.413 0.002 . 995 112 112 ASN HB2 H 2.676 0.003 . 996 112 112 ASN HB3 H 3.439 0.002 . 997 112 112 ASN CA C 49.968 0.000 . 998 112 112 ASN CB C 39.117 0.000 . 999 112 112 ASN N N 125.877 0.000 . 1000 113 113 PRO C C 178.216 0.000 . 1001 113 113 PRO CA C 64.486 0.000 . 1002 114 114 LYS H H 7.973 0.000 . 1003 114 114 LYS HA H 4.240 0.002 . 1004 114 114 LYS HB2 H 1.944 0.002 . 1005 114 114 LYS HB3 H 1.944 0.000 . 1006 114 114 LYS HG2 H 1.526 0.003 . 1007 114 114 LYS HG3 H 1.526 0.000 . 1008 114 114 LYS HD2 H 1.709 0.006 . 1009 114 114 LYS HD3 H 1.709 0.000 . 1010 114 114 LYS C C 178.198 0.000 . 1011 114 114 LYS CA C 59.112 0.000 . 1012 114 114 LYS CB C 32.331 0.000 . 1013 114 114 LYS CG C 25.249 0.000 . 1014 114 114 LYS CD C 28.790 0.000 . 1015 114 114 LYS N N 117.553 0.000 . 1016 115 115 LYS H H 7.245 0.000 . 1017 115 115 LYS HA H 4.345 0.003 . 1018 115 115 LYS HB2 H 1.540 0.004 . 1019 115 115 LYS HB3 H 2.019 0.011 . 1020 115 115 LYS HG2 H 1.406 0.017 . 1021 115 115 LYS HG3 H 1.538 0.006 . 1022 115 115 LYS HD2 H 1.667 0.001 . 1023 115 115 LYS HD3 H 1.667 0.000 . 1024 115 115 LYS C C 175.390 0.000 . 1025 115 115 LYS CA C 55.574 0.000 . 1026 115 115 LYS CB C 33.216 0.000 . 1027 115 115 LYS CG C 25.249 0.000 . 1028 115 115 LYS CD C 28.495 0.000 . 1029 115 115 LYS N N 115.907 0.000 . 1030 116 116 GLN H H 8.162 0.000 . 1031 116 116 GLN HA H 3.778 0.009 . 1032 116 116 GLN HB2 H 2.211 0.008 . 1033 116 116 GLN HB3 H 2.473 0.004 . 1034 116 116 GLN HG2 H 2.262 0.002 . 1035 116 116 GLN HG3 H 2.318 0.002 . 1036 116 116 GLN C C 174.221 0.000 . 1037 116 116 GLN CA C 57.049 0.000 . 1038 116 116 GLN CB C 25.545 0.000 . 1039 116 116 GLN CG C 34.101 0.000 . 1040 116 116 GLN N N 114.206 0.000 . 1041 117 117 THR H H 7.676 0.000 . 1042 117 117 THR HA H 4.767 0.000 . 1043 117 117 THR HB H 4.287 0.000 . 1044 117 117 THR HG2 H 1.142 0.001 . 1045 117 117 THR C C 173.169 0.000 . 1046 117 117 THR CA C 59.276 0.000 . 1047 117 117 THR CB C 72.392 0.000 . 1048 117 117 THR CG2 C 21.709 0.000 . 1049 117 117 THR N N 106.990 0.000 . 1050 118 118 ILE H H 9.015 0.000 . 1051 118 118 ILE HA H 4.604 0.001 . 1052 118 118 ILE HB H 1.783 0.002 . 1053 118 118 ILE HG2 H 1.010 0.005 . 1054 118 118 ILE HD1 H 1.053 0.005 . 1055 118 118 ILE C C 174.293 0.000 . 1056 118 118 ILE CA C 61.081 0.000 . 1057 118 118 ILE CB C 40.593 0.000 . 1058 118 118 ILE CG2 C 19.053 0.000 . 1059 118 118 ILE CD1 C 14.922 0.000 . 1060 118 118 ILE N N 121.062 0.000 . 1061 119 119 GLY H H 9.159 0.000 . 1062 119 119 GLY HA2 H 3.938 0.001 . 1063 119 119 GLY HA3 H 5.207 0.005 . 1064 119 119 GLY C C 172.135 0.000 . 1065 119 119 GLY CA C 44.428 0.000 . 1066 119 119 GLY N N 114.842 0.000 . 1067 120 120 ASN H H 9.103 0.000 . 1068 120 120 ASN HA H 5.894 0.003 . 1069 120 120 ASN HB2 H 2.686 0.001 . 1070 120 120 ASN HB3 H 2.752 0.002 . 1071 120 120 ASN C C 173.874 0.000 . 1072 120 120 ASN CA C 51.738 0.000 . 1073 120 120 ASN CB C 40.888 0.000 . 1074 120 120 ASN N N 118.629 0.000 . 1075 121 121 SER H H 8.671 0.000 . 1076 121 121 SER HA H 5.447 0.003 . 1077 121 121 SER HB2 H 3.864 0.003 . 1078 121 121 SER HB3 H 3.983 0.002 . 1079 121 121 SER C C 172.170 0.000 . 1080 121 121 SER CA C 57.049 0.000 . 1081 121 121 SER CB C 65.606 0.000 . 1082 121 121 SER N N 114.315 0.000 . 1083 122 122 CYS H H 9.183 0.000 . 1084 122 122 CYS HB2 H 3.105 0.003 . 1085 122 122 CYS HB3 H 3.457 0.001 . 1086 122 122 CYS C C 177.859 0.000 . 1087 122 122 CYS CA C 58.486 0.000 . 1088 122 122 CYS CB C 34.987 0.000 . 1089 122 122 CYS N N 125.350 0.000 . 1090 123 123 LYS H H 9.036 0.000 . 1091 123 123 LYS HA H 4.240 0.000 . 1092 123 123 LYS HB2 H 1.963 0.012 . 1093 123 123 LYS HB3 H 1.963 0.000 . 1094 123 123 LYS HG2 H 1.543 0.002 . 1095 123 123 LYS HG3 H 1.543 0.000 . 1096 123 123 LYS C C 176.433 0.000 . 1097 123 123 LYS CA C 58.524 0.000 . 1098 123 123 LYS CB C 32.921 0.000 . 1099 123 123 LYS CG C 25.545 0.000 . 1100 123 123 LYS N N 129.388 0.000 . 1101 124 124 ALA H H 9.373 0.000 . 1102 124 124 ALA HA H 4.429 0.000 . 1103 124 124 ALA HB H 1.438 0.002 . 1104 124 124 ALA C C 178.769 0.000 . 1105 124 124 ALA CA C 54.689 0.000 . 1106 124 124 ALA CB C 20.233 0.000 . 1107 124 124 ALA N N 125.927 0.000 . 1108 125 125 CYS H H 9.379 0.000 . 1109 125 125 CYS HA H 5.101 0.001 . 1110 125 125 CYS HB2 H 2.807 0.002 . 1111 125 125 CYS HB3 H 3.349 0.000 . 1112 125 125 CYS C C 177.182 0.000 . 1113 125 125 CYS CA C 58.820 0.000 . 1114 125 125 CYS CB C 32.626 0.000 . 1115 125 125 CYS N N 118.704 0.000 . 1116 126 126 GLY H H 7.477 0.000 . 1117 126 126 GLY HA2 H 3.898 0.003 . 1118 126 126 GLY HA3 H 4.383 0.001 . 1119 126 126 GLY C C 173.740 0.000 . 1120 126 126 GLY CA C 45.904 0.000 . 1121 126 126 GLY N N 112.275 0.000 . 1122 127 127 TYR H H 9.247 0.000 . 1123 127 127 TYR HA H 4.260 0.005 . 1124 127 127 TYR HB2 H 2.883 0.005 . 1125 127 127 TYR HB3 H 3.184 0.000 . 1126 127 127 TYR HD1 H 6.936 0.006 . 1127 127 127 TYR HD2 H 6.936 0.000 . 1128 127 127 TYR HE1 H 6.663 0.000 . 1129 127 127 TYR HE2 H 6.663 0.000 . 1130 127 127 TYR C C 174.239 0.000 . 1131 127 127 TYR CA C 60.590 0.000 . 1132 127 127 TYR CB C 39.707 0.000 . 1133 127 127 TYR CD1 C 134.221 0.000 . 1134 127 127 TYR CD2 C 134.221 0.000 . 1135 127 127 TYR CE1 C 118.060 0.000 . 1136 127 127 TYR CE2 C 118.060 0.000 . 1137 127 127 TYR N N 126.855 0.000 . 1138 128 128 ARG H H 7.227 0.000 . 1139 128 128 ARG HA H 4.683 0.000 . 1140 128 128 ARG HB2 H 1.604 0.002 . 1141 128 128 ARG HB3 H 1.688 0.001 . 1142 128 128 ARG HG2 H 1.538 0.002 . 1143 128 128 ARG HG3 H 1.632 0.002 . 1144 128 128 ARG HD2 H 3.154 0.002 . 1145 128 128 ARG HD3 H 3.154 0.000 . 1146 128 128 ARG C C 174.542 0.000 . 1147 128 128 ARG CA C 54.870 0.000 . 1148 128 128 ARG CB C 32.921 0.000 . 1149 128 128 ARG CG C 27.315 0.000 . 1150 128 128 ARG CD C 43.543 0.000 . 1151 128 128 ARG N N 126.502 0.000 . 1152 129 129 GLY H H 8.207 0.000 . 1153 129 129 GLY HA2 H 4.277 0.006 . 1154 129 129 GLY HA3 H 4.277 0.000 . 1155 129 129 GLY C C 172.491 0.000 . 1156 129 129 GLY CA C 45.314 0.000 . 1157 129 129 GLY N N 111.598 0.000 . 1158 130 130 MET H H 8.627 0.000 . 1159 130 130 MET HA H 5.249 0.004 . 1160 130 130 MET HB2 H 2.059 0.006 . 1161 130 130 MET HB3 H 2.174 0.007 . 1162 130 130 MET HG2 H 2.576 0.000 . 1163 130 130 MET HG3 H 2.756 0.006 . 1164 130 130 MET HE H 2.164 0.003 . 1165 130 130 MET C C 176.468 0.000 . 1166 130 130 MET CA C 54.099 0.000 . 1167 130 130 MET CB C 34.691 0.000 . 1168 130 130 MET CG C 32.331 0.000 . 1169 130 130 MET CE C 16.988 0.000 . 1170 130 130 MET N N 119.607 0.000 . 1171 131 131 LEU H H 8.979 0.000 . 1172 131 131 LEU HA H 4.455 0.003 . 1173 131 131 LEU HB2 H 1.534 0.002 . 1174 131 131 LEU HB3 H 1.577 0.003 . 1175 131 131 LEU HG H 1.602 0.003 . 1176 131 131 LEU HD1 H 0.844 0.008 . 1177 131 131 LEU HD2 H 0.890 0.009 . 1178 131 131 LEU C C 176.800 0.000 . 1179 131 131 LEU CA C 54.984 0.000 . 1180 131 131 LEU CB C 42.658 0.000 . 1181 131 131 LEU CG C 27.905 0.000 . 1182 131 131 LEU CD1 C 24.069 0.000 . 1183 131 131 LEU CD2 C 25.249 0.000 . 1184 131 131 LEU N N 124.247 0.000 . 1185 132 132 ASP H H 8.468 0.000 . 1186 132 132 ASP HA H 4.676 0.006 . 1187 132 132 ASP HB2 H 2.740 0.002 . 1188 132 132 ASP HB3 H 2.781 0.003 . 1189 132 132 ASP C C 177.075 0.000 . 1190 132 132 ASP CA C 54.689 0.000 . 1191 132 132 ASP CB C 41.773 0.000 . 1192 132 132 ASP N N 122.596 0.000 . 1193 133 133 THR H H 8.107 0.000 . 1194 133 133 THR HA H 4.795 0.000 . 1195 133 133 THR HB H 4.465 0.003 . 1196 133 133 THR HG2 H 1.252 0.002 . 1197 133 133 THR C C 173.722 0.000 . 1198 133 133 THR CA C 62.133 0.000 . 1199 133 133 THR CB C 68.557 0.000 . 1200 133 133 THR CG2 C 21.709 0.000 . 1201 133 133 THR N N 114.285 0.000 . 1202 134 134 HIS H H 8.437 0.000 . 1203 134 134 HIS C C 175.570 0.000 . 1204 134 134 HIS CA C 57.775 0.000 . 1205 134 134 HIS CB C 28.574 0.000 . 1206 134 134 HIS N N 119.406 0.000 . 1207 135 135 HIS H H 8.093 0.000 . 1208 135 135 HIS C C 174.132 0.000 . 1209 135 135 HIS CA C 58.960 0.000 . 1210 135 135 HIS CB C 32.800 0.000 . 1211 135 135 HIS N N 121.033 0.000 . 1212 136 136 LYS H H 8.663 0.000 . 1213 136 136 LYS CA C 53.307 0.000 . 1214 136 136 LYS N N 123.143 0.000 . 1215 137 137 LEU HA H 4.220 0.003 . 1216 137 137 LEU HB2 H 1.546 0.000 . 1217 137 137 LEU HB3 H 1.991 0.000 . 1218 137 137 LEU HG H 1.520 0.004 . 1219 137 137 LEU HD1 H 0.835 0.002 . 1220 137 137 LEU HD2 H 0.211 0.001 . 1221 137 137 LEU C C 178.929 0.000 . 1222 137 137 LEU CA C 57.344 0.000 . 1223 137 137 LEU CB C 42.363 0.000 . 1224 137 137 LEU CG C 26.430 0.000 . 1225 137 137 LEU CD1 C 24.659 0.000 . 1226 137 137 LEU CD2 C 26.430 0.000 . 1227 138 138 CYS H H 8.526 0.000 . 1228 138 138 CYS HA H 3.814 0.003 . 1229 138 138 CYS HB2 H 2.888 0.007 . 1230 138 138 CYS HB3 H 3.398 0.006 . 1231 138 138 CYS C C 175.844 0.000 . 1232 138 138 CYS CA C 63.511 0.000 . 1233 138 138 CYS CB C 26.135 0.000 . 1234 138 138 CYS N N 115.995 0.000 . 1235 139 139 THR H H 7.602 0.000 . 1236 139 139 THR HA H 3.980 0.007 . 1237 139 139 THR HB H 4.265 0.004 . 1238 139 139 THR HG2 H 1.352 0.001 . 1239 139 139 THR C C 175.487 0.000 . 1240 139 139 THR CA C 66.491 0.000 . 1241 139 139 THR CB C 68.557 0.000 . 1242 139 139 THR CG2 C 21.709 0.000 . 1243 139 139 THR N N 113.330 0.000 . 1244 140 140 PHE H H 7.171 0.000 . 1245 140 140 PHE HA H 4.172 0.001 . 1246 140 140 PHE HB2 H 3.227 0.003 . 1247 140 140 PHE HB3 H 3.227 0.000 . 1248 140 140 PHE HD1 H 6.918 0.001 . 1249 140 140 PHE HD2 H 6.918 0.000 . 1250 140 140 PHE C C 177.633 0.000 . 1251 140 140 PHE CA C 62.035 0.000 . 1252 140 140 PHE CB C 39.412 0.000 . 1253 140 140 PHE CD1 C 133.926 0.000 . 1254 140 140 PHE CD2 C 133.926 0.000 . 1255 140 140 PHE N N 121.899 0.000 . 1256 141 141 ILE H H 8.055 0.000 . 1257 141 141 ILE HA H 3.107 0.008 . 1258 141 141 ILE HB H 1.674 0.000 . 1259 141 141 ILE HG12 H -0.364 0.003 . 1260 141 141 ILE HG13 H 1.261 0.002 . 1261 141 141 ILE HG2 H 0.860 0.001 . 1262 141 141 ILE HD1 H 0.313 0.001 . 1263 141 141 ILE C C 176.718 0.000 . 1264 141 141 ILE CA C 65.901 0.000 . 1265 141 141 ILE CB C 37.937 0.000 . 1266 141 141 ILE CG1 C 26.725 0.000 . 1267 141 141 ILE CG2 C 16.693 0.000 . 1268 141 141 ILE CD1 C 13.447 0.000 . 1269 141 141 ILE N N 121.346 0.000 . 1270 142 142 LEU H H 7.773 0.000 . 1271 142 142 LEU HA H 3.760 0.001 . 1272 142 142 LEU HB2 H 1.398 0.001 . 1273 142 142 LEU HB3 H 1.885 0.004 . 1274 142 142 LEU HG H 1.648 0.001 . 1275 142 142 LEU HD1 H 0.702 0.002 . 1276 142 142 LEU HD2 H 0.807 0.002 . 1277 142 142 LEU C C 178.038 0.000 . 1278 142 142 LEU CA C 58.229 0.000 . 1279 142 142 LEU CB C 42.363 0.000 . 1280 142 142 LEU CG C 27.905 0.000 . 1281 142 142 LEU CD1 C 24.659 0.000 . 1282 142 142 LEU CD2 C 25.249 0.000 . 1283 142 142 LEU N N 115.533 0.000 . 1284 143 143 LYS H H 6.913 0.000 . 1285 143 143 LYS HA H 4.233 0.001 . 1286 143 143 LYS HB2 H 1.625 0.002 . 1287 143 143 LYS HB3 H 1.858 0.009 . 1288 143 143 LYS HG2 H 1.483 0.000 . 1289 143 143 LYS HG3 H 1.590 0.003 . 1290 143 143 LYS C C 175.666 0.000 . 1291 143 143 LYS CA C 56.459 0.000 . 1292 143 143 LYS CB C 33.806 0.000 . 1293 143 143 LYS CG C 25.249 0.000 . 1294 143 143 LYS N N 114.430 0.000 . 1295 144 144 ASN H H 7.557 0.000 . 1296 144 144 ASN HA H 4.998 0.009 . 1297 144 144 ASN HB2 H 2.062 0.002 . 1298 144 144 ASN HB3 H 2.230 0.003 . 1299 144 144 ASN HD21 H 6.302 0.000 . 1300 144 144 ASN HD22 H 6.794 0.000 . 1301 144 144 ASN CA C 51.148 0.000 . 1302 144 144 ASN CB C 39.707 0.000 . 1303 144 144 ASN N N 118.533 0.000 . 1304 144 144 ASN ND2 N 118.659 0.000 . 1305 146 146 PRO C C 175.666 0.000 . 1306 146 146 PRO CA C 63.007 0.000 . 1307 146 146 PRO CB C 32.021 0.000 . 1308 147 147 GLU H H 8.638 0.000 . 1309 147 147 GLU HA H 4.340 0.009 . 1310 147 147 GLU HB2 H 1.988 0.002 . 1311 147 147 GLU HB3 H 2.093 0.001 . 1312 147 147 GLU HG2 H 2.346 0.008 . 1313 147 147 GLU HG3 H 2.346 0.000 . 1314 147 147 GLU C C 176.236 0.000 . 1315 147 147 GLU CA C 56.754 0.000 . 1316 147 147 GLU CB C 30.266 0.000 . 1317 147 147 GLU CG C 36.167 0.000 . 1318 147 147 GLU N N 121.162 0.000 . 1319 148 148 ASN H H 8.590 0.000 . 1320 148 148 ASN CA C 53.223 0.000 . 1321 148 148 ASN CB C 38.915 0.000 . 1322 148 148 ASN N N 120.359 0.000 . 1323 149 149 SER H H 8.442 0.000 . 1324 149 149 SER C C 174.290 0.000 . 1325 149 149 SER CA C 58.688 0.000 . 1326 149 149 SER CB C 63.968 0.000 . 1327 149 149 SER N N 116.873 0.000 . 1328 150 150 ASP H H 8.508 0.000 . 1329 150 150 ASP C C 176.450 0.000 . 1330 150 150 ASP CA C 54.359 0.000 . 1331 150 150 ASP CB C 41.301 0.000 . 1332 150 150 ASP N N 122.744 0.000 . 1333 151 151 SER H H 8.408 0.000 . 1334 151 151 SER C C 175.309 0.000 . 1335 151 151 SER CA C 58.881 0.000 . 1336 151 151 SER CB C 63.720 0.000 . 1337 151 151 SER N N 116.723 0.000 . 1338 152 152 GLY H H 8.603 0.000 . 1339 152 152 GLY C C 174.703 0.000 . 1340 152 152 GLY CA C 45.618 0.000 . 1341 152 152 GLY N N 110.921 0.000 . 1342 153 153 THR H H 8.146 0.000 . 1343 153 153 THR HB H 4.339 0.002 . 1344 153 153 THR HG2 H 1.270 0.007 . 1345 153 153 THR C C 175.434 0.000 . 1346 153 153 THR CA C 62.307 0.000 . 1347 153 153 THR CB C 69.737 0.000 . 1348 153 153 THR CG2 C 21.709 0.000 . 1349 153 153 THR N N 113.220 0.000 . 1350 154 154 GLY H H 8.566 0.000 . 1351 154 154 GLY HA2 H 4.014 0.003 . 1352 154 154 GLY HA3 H 4.014 0.000 . 1353 154 154 GLY C C 174.221 0.000 . 1354 154 154 GLY CA C 45.609 0.000 . 1355 154 154 GLY N N 111.499 0.000 . 1356 155 155 LYS H H 8.190 0.000 . 1357 155 155 LYS CA C 56.625 0.000 . 1358 155 155 LYS N N 121.077 0.000 . 1359 164 164 LYS C C 176.910 0.000 . 1360 164 164 LYS CA C 56.434 0.000 . 1361 164 164 LYS CB C 33.190 0.000 . 1362 165 165 GLY H H 8.495 0.000 . 1363 165 165 GLY HA2 H 4.012 0.001 . 1364 165 165 GLY HA3 H 4.012 0.000 . 1365 165 165 GLY C C 173.936 0.000 . 1366 165 165 GLY CA C 45.019 0.000 . 1367 165 165 GLY N N 110.603 0.000 . 1368 166 166 LYS H H 8.337 0.000 . 1369 166 166 LYS C C 176.254 0.000 . 1370 166 166 LYS CA C 56.376 0.000 . 1371 166 166 LYS CB C 33.198 0.000 . 1372 166 166 LYS N N 121.053 0.000 . 1373 167 167 ASP H H 8.505 0.000 . 1374 167 167 ASP C C 176.700 0.000 . 1375 167 167 ASP CA C 53.166 0.000 . 1376 167 167 ASP CB C 38.660 0.000 . 1377 167 167 ASP N N 119.783 0.000 . 1378 168 168 LYS H H 8.363 0.000 . 1379 168 168 LYS CA C 56.548 0.000 . 1380 168 168 LYS N N 121.971 0.000 . 1381 169 169 GLU C C 175.291 0.000 . 1382 169 169 GLU CA C 56.625 0.000 . 1383 169 169 GLU CB C 30.540 0.000 . 1384 170 170 ASN H H 8.067 0.000 . 1385 170 170 ASN CA C 54.790 0.000 . 1386 170 170 ASN CB C 40.460 0.000 . 1387 170 170 ASN N N 124.482 0.000 . stop_ save_