data_19818 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Murine Neuroglobin, Fe3+ form (metNgB) ; _BMRB_accession_number 19818 _BMRB_flat_file_name bmr19818.str _Entry_type original _Submission_date 2014-02-26 _Accession_date 2014-02-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; ngb_formA corresponds to the minor form (30%, form A), ngb_formB corresponds to the major form (70%, form B). These two forms correspond to a 180 reorientation of the heme. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang 'Yin Shan' . . 2 Allemand Frederic . . 3 Guca Ewelina . . 4 Vallone Beatrice . . 5 Delbecq Stephane . . 6 Roumestand Christian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 598 "13C chemical shifts" 853 "15N chemical shifts" 280 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-03-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 19819 cyanometNgb stop_ _Original_release_date 2015-03-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C Backbone resonance assignments of murine met-Neuroglobin, free and in complex with cyanide. ; _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 Yang 'Yin Shan' . . 2 Allemand Frederic . . 3 Guca Ewelina . . 4 Vallone Beatrice . . 5 Delbecq Stephane . . 6 Roumestand Christian . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _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 . loop_ _Keyword 'Heme orientation' 'Ligand binding' Neuroglobin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name metNgb _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label metNgb $metNgb 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_metNgb _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common metNgb _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; MERPESELIRQSWRVVSRSP LEHGTVLFARLFALEPSLLP LFQYNGRQFSSPEDSLSSPE FLDHIRKVMLVIDAAVTNVE DLSSLEEYLTSLGRKHRAVG VRLSSFSTVGESLLYMLEKS LGPDFTPATRTAWSRLYGAV VQAMSRGWDGE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLU 3 3 ARG 4 4 PRO 5 5 GLU 6 6 SER 7 7 GLU 8 8 LEU 9 9 ILE 10 10 ARG 11 11 GLN 12 12 SER 13 13 TRP 14 14 ARG 15 15 VAL 16 16 VAL 17 17 SER 18 18 ARG 19 19 SER 20 20 PRO 21 21 LEU 22 22 GLU 23 23 HIS 24 24 GLY 25 25 THR 26 26 VAL 27 27 LEU 28 28 PHE 29 29 ALA 30 30 ARG 31 31 LEU 32 32 PHE 33 33 ALA 34 34 LEU 35 35 GLU 36 36 PRO 37 37 SER 38 38 LEU 39 39 LEU 40 40 PRO 41 41 LEU 42 42 PHE 43 43 GLN 44 44 TYR 45 45 ASN 46 46 GLY 47 47 ARG 48 48 GLN 49 49 PHE 50 50 SER 51 51 SER 52 52 PRO 53 53 GLU 54 54 ASP 55 55 SER 56 56 LEU 57 57 SER 58 58 SER 59 59 PRO 60 60 GLU 61 61 PHE 62 62 LEU 63 63 ASP 64 64 HIS 65 65 ILE 66 66 ARG 67 67 LYS 68 68 VAL 69 69 MET 70 70 LEU 71 71 VAL 72 72 ILE 73 73 ASP 74 74 ALA 75 75 ALA 76 76 VAL 77 77 THR 78 78 ASN 79 79 VAL 80 80 GLU 81 81 ASP 82 82 LEU 83 83 SER 84 84 SER 85 85 LEU 86 86 GLU 87 87 GLU 88 88 TYR 89 89 LEU 90 90 THR 91 91 SER 92 92 LEU 93 93 GLY 94 94 ARG 95 95 LYS 96 96 HIS 97 97 ARG 98 98 ALA 99 99 VAL 100 100 GLY 101 101 VAL 102 102 ARG 103 103 LEU 104 104 SER 105 105 SER 106 106 PHE 107 107 SER 108 108 THR 109 109 VAL 110 110 GLY 111 111 GLU 112 112 SER 113 113 LEU 114 114 LEU 115 115 TYR 116 116 MET 117 117 LEU 118 118 GLU 119 119 LYS 120 120 SER 121 121 LEU 122 122 GLY 123 123 PRO 124 124 ASP 125 125 PHE 126 126 THR 127 127 PRO 128 128 ALA 129 129 THR 130 130 ARG 131 131 THR 132 132 ALA 133 133 TRP 134 134 SER 135 135 ARG 136 136 LEU 137 137 TYR 138 138 GLY 139 139 ALA 140 140 VAL 141 141 VAL 142 142 GLN 143 143 ALA 144 144 MET 145 145 SER 146 146 ARG 147 147 GLY 148 148 TRP 149 149 ASP 150 150 GLY 151 151 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $metNgb 'House mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $metNgb 'recombinant technology' . Escherichia coli . pET15b-tev 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 $metNgb 0.5 mM '[U-100% 13C; U-100% 15N]' 'Tris, HCl' 50 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' PMSF 0.05 mM 'natural abundance' DSS 0.05 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH pressure ambient . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'ngb_formB corresponds to the major form (70%, form B)' loop_ _Experiment_label '3D 1H-15N NOESY' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name metNgb _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 2 2 GLU HA H 4.384 0.01 1 2 2 2 GLU C C 177.12 0.01 1 3 2 2 GLU CA C 55.91 0.01 1 4 2 2 GLU CB C 31.05 0.01 1 5 3 3 ARG H H 8.865 0.01 1 6 3 3 ARG HA H 4.377 0.01 1 7 3 3 ARG CA C 56.01 0.01 1 8 3 3 ARG N N 123.05 0.01 1 9 4 4 PRO HA H 4.501 0.01 1 10 5 5 GLU H H 8.918 0.01 1 11 5 5 GLU HA H 4.375 0.01 1 12 5 5 GLU C C 178.04 0.01 1 13 5 5 GLU CA C 59.66 0.01 1 14 5 5 GLU CB C 29.51 0.01 1 15 5 5 GLU N N 123.04 0.01 1 16 6 6 SER H H 8.203 0.01 1 17 6 6 SER HA H 3.817 0.01 1 18 6 6 SER C C 176.44 0.01 1 19 6 6 SER CA C 62.01 0.01 1 20 6 6 SER CB C 62.01 0.01 1 21 6 6 SER N N 115.92 0.01 1 22 7 7 GLU H H 7.897 0.01 1 23 7 7 GLU HA H 4.160 0.01 1 24 7 7 GLU C C 178.87 0.01 1 25 7 7 GLU CA C 59.93 0.01 1 26 7 7 GLU CB C 29.52 0.01 1 27 7 7 GLU N N 121.51 0.01 1 28 8 8 LEU H H 7.507 0.01 1 29 8 8 LEU HA H 4.168 0.01 1 30 8 8 LEU C C 181.99 0.01 1 31 8 8 LEU CA C 57.74 0.01 1 32 8 8 LEU CB C 41.45 0.01 1 33 8 8 LEU N N 118.40 0.01 1 34 9 9 ILE H H 7.776 0.01 1 35 9 9 ILE HA H 3.373 0.01 1 36 9 9 ILE C C 177.25 0.01 1 37 9 9 ILE CA C 63.93 0.01 1 38 9 9 ILE CB C 36.88 0.01 1 39 9 9 ILE N N 121.62 0.01 1 40 10 10 ARG H H 8.300 0.01 1 41 10 10 ARG HA H 3.862 0.01 1 42 10 10 ARG C C 179.97 0.01 1 43 10 10 ARG CA C 61.20 0.01 1 44 10 10 ARG CB C 30.68 0.01 1 45 10 10 ARG N N 118.94 0.01 1 46 11 11 GLN H H 8.669 0.01 1 47 11 11 GLN HA H 4.145 0.01 1 48 11 11 GLN C C 178.72 0.01 1 49 11 11 GLN CA C 59.04 0.01 1 50 11 11 GLN CB C 28.46 0.01 1 51 11 11 GLN N N 116.57 0.01 1 52 12 12 SER H H 7.773 0.01 1 53 12 12 SER HA H 4.493 0.01 1 54 12 12 SER C C 176.87 0.01 1 55 12 12 SER CA C 60.77 0.01 1 56 12 12 SER CB C 64.19 0.01 1 57 12 12 SER N N 113.21 0.01 1 58 13 13 TRP H H 9.096 0.01 1 59 13 13 TRP HA H 4.782 0.01 1 60 13 13 TRP C C 177.88 0.01 1 61 13 13 TRP CA C 58.67 0.01 1 62 13 13 TRP CB C 31.37 0.01 1 63 13 13 TRP N N 123.58 0.01 1 64 14 14 ARG H H 7.841 0.01 1 65 14 14 ARG HA H 3.878 0.01 1 66 14 14 ARG C C 178.22 0.01 1 67 14 14 ARG CA C 59.55 0.01 1 68 14 14 ARG CB C 30.10 0.01 1 69 14 14 ARG N N 117.90 0.01 1 70 15 15 VAL H H 7.005 0.01 1 71 15 15 VAL HA H 3.554 0.01 1 72 15 15 VAL C C 178.59 0.01 1 73 15 15 VAL CA C 66.11 0.01 1 74 15 15 VAL CB C 32.04 0.01 1 75 15 15 VAL N N 116.74 0.01 1 76 16 16 VAL H H 6.831 0.01 1 77 16 16 VAL HA H 2.791 0.01 1 78 16 16 VAL C C 177.77 0.01 1 79 16 16 VAL CA C 64.49 0.01 1 80 16 16 VAL CB C 31.41 0.01 1 81 16 16 VAL N N 119.63 0.01 1 82 17 17 SER H H 8.000 0.01 1 83 17 17 SER HA H 4.780 0.01 1 84 17 17 SER C C 174.32 0.01 1 85 17 17 SER CA C 60.54 0.01 1 86 17 17 SER CB C 62.62 0.01 1 87 17 17 SER N N 111.90 0.01 1 88 18 18 ARG H H 6.940 0.01 1 89 18 18 ARG HA H 4.178 0.01 1 90 18 18 ARG C C 177.65 0.01 1 91 18 18 ARG CA C 58.22 0.01 1 92 18 18 ARG CB C 30.81 0.01 1 93 18 18 ARG N N 119.57 0.01 1 94 19 19 SER H H 7.517 0.01 1 95 19 19 SER HA H 4.012 0.01 1 96 19 19 SER CA C 55.16 0.01 1 97 19 19 SER CB C 62.81 0.01 1 98 19 19 SER N N 110.32 0.01 1 99 20 20 PRO HA H 4.775 0.01 1 100 20 20 PRO C C 179.40 0.01 1 101 20 20 PRO CA C 66.06 0.01 1 102 20 20 PRO CB C 32.19 0.01 1 103 21 21 LEU H H 8.342 0.01 1 104 21 21 LEU HA H 4.389 0.01 1 105 21 21 LEU C C 179.90 0.01 1 106 21 21 LEU CA C 58.38 0.01 1 107 21 21 LEU CB C 41.30 0.01 1 108 21 21 LEU N N 119.45 0.01 1 109 22 22 GLU H H 8.623 0.01 1 110 22 22 GLU HA H 4.184 0.01 1 111 22 22 GLU C C 180.01 0.01 1 112 22 22 GLU CA C 60.29 0.01 1 113 22 22 GLU CB C 29.02 0.01 1 114 22 22 GLU N N 122.24 0.01 1 115 23 23 HIS H H 7.703 0.01 1 116 23 23 HIS HA H 4.473 0.01 1 117 23 23 HIS C C 178.36 0.01 1 118 23 23 HIS CA C 60.61 0.01 1 119 23 23 HIS CB C 30.08 0.01 1 120 23 23 HIS N N 117.94 0.01 1 121 24 24 GLY H H 9.174 0.01 1 122 24 24 GLY HA2 H 4.214 0.01 2 123 24 24 GLY HA3 H 4.214 0.01 2 124 24 24 GLY C C 176.48 0.01 1 125 24 24 GLY CA C 48.16 0.01 1 126 24 24 GLY N N 109.82 0.01 1 127 25 25 THR H H 8.645 0.01 1 128 25 25 THR HA H 4.439 0.01 1 129 25 25 THR C C 176.33 0.01 1 130 25 25 THR CA C 68.44 0.01 1 131 25 25 THR CB C 68.80 0.01 1 132 25 25 THR N N 118.02 0.01 1 133 26 26 VAL H H 7.372 0.01 1 134 26 26 VAL HA H 3.811 0.01 1 135 26 26 VAL C C 178.50 0.01 1 136 26 26 VAL CA C 66.74 0.01 1 137 26 26 VAL CB C 31.59 0.01 1 138 26 26 VAL N N 124.12 0.01 1 139 27 27 LEU H H 7.685 0.01 1 140 27 27 LEU HA H 3.711 0.01 1 141 27 27 LEU C C 179.10 0.01 1 142 27 27 LEU CA C 60.15 0.01 1 143 27 27 LEU CB C 42.34 0.01 1 144 27 27 LEU N N 120.34 0.01 1 145 28 28 PHE H H 8.437 0.01 1 146 28 28 PHE HA H 3.525 0.01 1 147 28 28 PHE C C 176.13 0.01 1 148 28 28 PHE CA C 63.54 0.01 1 149 28 28 PHE CB C 38.99 0.01 1 150 28 28 PHE N N 116.30 0.01 1 151 29 29 ALA H H 8.740 0.01 1 152 29 29 ALA HA H 4.222 0.01 1 153 29 29 ALA C C 181.37 0.01 1 154 29 29 ALA CA C 55.55 0.01 1 155 29 29 ALA CB C 17.84 0.01 1 156 29 29 ALA N N 122.14 0.01 1 157 30 30 ARG H H 7.734 0.01 1 158 30 30 ARG HA H 3.825 0.01 1 159 30 30 ARG C C 176.84 0.01 1 160 30 30 ARG CA C 56.79 0.01 1 161 30 30 ARG CB C 29.40 0.01 1 162 30 30 ARG N N 119.63 0.01 1 163 31 31 LEU H H 7.910 0.01 1 164 31 31 LEU HA H 3.433 0.01 1 165 31 31 LEU C C 178.42 0.01 1 166 31 31 LEU CA C 58.29 0.01 1 167 31 31 LEU CB C 42.01 0.01 1 168 31 31 LEU N N 121.58 0.01 1 169 32 32 PHE H H 7.732 0.01 1 170 32 32 PHE HA H 4.313 0.01 1 171 32 32 PHE C C 177.83 0.01 1 172 32 32 PHE CA C 57.45 0.01 1 173 32 32 PHE CB C 37.89 0.01 1 174 32 32 PHE N N 113.46 0.01 1 175 33 33 ALA H H 7.373 0.01 1 176 33 33 ALA HA H 4.096 0.01 1 177 33 33 ALA C C 180.03 0.01 1 178 33 33 ALA CA C 54.40 0.01 1 179 33 33 ALA CB C 18.08 0.01 1 180 33 33 ALA N N 121.55 0.01 1 181 34 34 LEU H H 7.625 0.01 1 182 34 34 LEU HA H 4.004 0.01 1 183 34 34 LEU C C 178.23 0.01 1 184 34 34 LEU CA C 56.39 0.01 1 185 34 34 LEU CB C 43.31 0.01 1 186 34 34 LEU N N 117.43 0.01 1 187 35 35 GLU H H 8.450 0.01 1 188 35 35 GLU HA H 4.487 0.01 1 189 35 35 GLU CA C 54.33 0.01 1 190 35 35 GLU CB C 30.98 0.01 1 191 35 35 GLU N N 120.50 0.01 1 192 36 36 PRO HA H 4.370 0.01 1 193 36 36 PRO C C 178.47 0.01 1 194 36 36 PRO CA C 66.77 0.01 1 195 36 36 PRO CB C 31.55 0.01 1 196 37 37 SER H H 7.723 0.01 1 197 37 37 SER HA H 3.971 0.01 1 198 37 37 SER C C 174.93 0.01 1 199 37 37 SER CA C 59.75 0.01 1 200 37 37 SER CB C 61.96 0.01 1 201 37 37 SER N N 111.24 0.01 1 202 38 38 LEU H H 7.530 0.01 1 203 38 38 LEU HA H 3.570 0.01 1 204 38 38 LEU C C 177.71 0.01 1 205 38 38 LEU CA C 55.82 0.01 1 206 38 38 LEU CB C 43.32 0.01 1 207 38 38 LEU N N 121.06 0.01 1 208 39 39 LEU H H 7.119 0.01 1 209 39 39 LEU HA H 3.775 0.01 1 210 39 39 LEU CA C 59.89 0.01 1 211 39 39 LEU CB C 39.46 0.01 1 212 39 39 LEU N N 119.10 0.01 1 213 40 40 PRO HA H 5.092 0.01 1 214 40 40 PRO C C 175.91 0.01 1 215 40 40 PRO CA C 64.71 0.01 1 216 40 40 PRO CB C 31.41 0.01 1 217 41 41 LEU H H 6.615 0.01 1 218 41 41 LEU HA H 3.278 0.01 1 219 41 41 LEU C C 176.72 0.01 1 220 41 41 LEU CA C 54.91 0.01 1 221 41 41 LEU CB C 39.95 0.01 1 222 41 41 LEU N N 113.95 0.01 1 223 42 42 PHE H H 6.849 0.01 1 224 42 42 PHE HA H 3.587 0.01 1 225 42 42 PHE C C 173.82 0.01 1 226 42 42 PHE CA C 57.62 0.01 1 227 42 42 PHE CB C 38.82 0.01 1 228 42 42 PHE N N 116.44 0.01 1 229 43 43 GLN H H 7.221 0.01 1 230 43 43 GLN HA H 4.466 0.01 1 231 43 43 GLN C C 174.75 0.01 1 232 43 43 GLN CA C 54.18 0.01 1 233 43 43 GLN CB C 29.42 0.01 1 234 43 43 GLN N N 123.45 0.01 1 235 44 44 TYR H H 7.961 0.01 1 236 44 44 TYR HA H 4.855 0.01 1 237 44 44 TYR CA C 57.81 0.01 1 238 44 44 TYR CB C 39.98 0.01 1 239 44 44 TYR N N 123.06 0.01 1 240 45 45 ASN HA H 4.778 0.01 1 241 45 45 ASN C C 175.36 0.01 1 242 45 45 ASN CA C 54.49 0.01 1 243 45 45 ASN CB C 37.97 0.01 1 244 46 46 GLY H H 8.552 0.01 1 245 46 46 GLY HA2 H 4.035 0.01 2 246 46 46 GLY HA3 H 3.600 0.01 2 247 46 46 GLY C C 173.90 0.01 1 248 46 46 GLY CA C 45.86 0.01 1 249 46 46 GLY N N 104.41 0.01 1 250 47 47 ARG H H 7.610 0.01 1 251 47 47 ARG HA H 4.532 0.01 1 252 47 47 ARG C C 174.96 0.01 1 253 47 47 ARG CA C 55.05 0.01 1 254 47 47 ARG CB C 32.62 0.01 1 255 47 47 ARG N N 120.20 0.01 1 256 48 48 GLN H H 8.353 0.01 1 257 48 48 GLN HA H 4.295 0.01 1 258 48 48 GLN C C 176.49 0.01 1 259 48 48 GLN CA C 53.98 0.01 1 260 48 48 GLN CB C 31.14 0.01 1 261 48 48 GLN N N 121.45 0.01 1 262 49 49 PHE H H 9.428 0.01 1 263 49 49 PHE HA H 4.912 0.01 1 264 49 49 PHE C C 176.58 0.01 1 265 49 49 PHE CA C 56.92 0.01 1 266 49 49 PHE CB C 39.61 0.01 1 267 49 49 PHE N N 123.37 0.01 1 268 50 50 SER H H 9.648 0.01 1 269 50 50 SER HA H 4.366 0.01 1 270 50 50 SER C C 174.18 0.01 1 271 50 50 SER CA C 59.87 0.01 1 272 50 50 SER CB C 63.96 0.01 1 273 50 50 SER N N 117.53 0.01 1 274 51 51 SER H H 7.716 0.01 1 275 51 51 SER HA H 4.760 0.01 1 276 51 51 SER CA C 56.27 0.01 1 277 51 51 SER CB C 64.07 0.01 1 278 51 51 SER N N 114.34 0.01 1 279 52 52 PRO HA H 4.760 0.01 1 280 52 52 PRO C C 178.94 0.01 1 281 52 52 PRO CA C 65.32 0.01 1 282 52 52 PRO CB C 32.11 0.01 1 283 53 53 GLU H H 8.971 0.01 1 284 53 53 GLU HA H 3.903 0.01 1 285 53 53 GLU C C 178.86 0.01 1 286 53 53 GLU CA C 60.58 0.01 1 287 53 53 GLU CB C 28.49 0.01 1 288 53 53 GLU N N 118.99 0.01 1 289 54 54 ASP H H 7.683 0.01 1 290 54 54 ASP HA H 4.385 0.01 1 291 54 54 ASP C C 178.59 0.01 1 292 54 54 ASP CA C 56.91 0.01 1 293 54 54 ASP CB C 41.93 0.01 1 294 54 54 ASP N N 119.96 0.01 1 295 55 55 SER H H 7.053 0.01 1 296 55 55 SER HA H 2.331 0.01 1 297 55 55 SER C C 174.98 0.01 1 298 55 55 SER CA C 61.80 0.01 1 299 55 55 SER CB C 62.10 0.01 1 300 55 55 SER N N 115.21 0.01 1 301 56 56 LEU H H 6.849 0.01 1 302 56 56 LEU HA H 4.395 0.01 1 303 56 56 LEU C C 177.18 0.01 1 304 56 56 LEU CA C 56.56 0.01 1 305 56 56 LEU CB C 41.13 0.01 1 306 56 56 LEU N N 117.63 0.01 1 307 57 57 SER H H 7.488 0.01 1 308 57 57 SER HA H 4.829 0.01 1 309 57 57 SER C C 174.61 0.01 1 310 57 57 SER CA C 58.12 0.01 1 311 57 57 SER CB C 64.53 0.01 1 312 57 57 SER N N 111.00 0.01 1 313 58 58 SER H H 7.756 0.01 1 314 58 58 SER HA H 5.465 0.01 1 315 58 58 SER CA C 54.71 0.01 1 316 58 58 SER CB C 64.43 0.01 1 317 58 58 SER N N 119.41 0.01 1 318 59 59 PRO HA H 4.655 0.01 1 319 59 59 PRO C C 180.39 0.01 1 320 59 59 PRO CA C 65.62 0.01 1 321 59 59 PRO CB C 32.48 0.01 1 322 60 60 GLU H H 9.533 0.01 1 323 60 60 GLU HA H 4.655 0.01 1 324 60 60 GLU C C 180.82 0.01 1 325 60 60 GLU CA C 61.65 0.01 1 326 60 60 GLU CB C 28.01 0.01 1 327 60 60 GLU N N 120.07 0.01 1 328 61 61 PHE H H 9.029 0.01 1 329 61 61 PHE HA H 6.345 0.01 1 330 61 61 PHE C C 181.29 0.01 1 331 61 61 PHE CA C 63.80 0.01 1 332 61 61 PHE CB C 41.38 0.01 1 333 61 61 PHE N N 124.74 0.01 1 334 62 62 LEU H H 9.547 0.01 1 335 62 62 LEU HA H 5.000 0.01 1 336 62 62 LEU C C 180.60 0.01 1 337 62 62 LEU CA C 59.27 0.01 1 338 62 62 LEU CB C 41.72 0.01 1 339 62 62 LEU N N 122.50 0.01 1 340 63 63 ASP H H 9.361 0.01 1 341 63 63 ASP HA H 5.428 0.01 1 342 63 63 ASP C C 181.08 0.01 1 343 63 63 ASP CA C 58.71 0.01 1 344 63 63 ASP CB C 41.46 0.01 1 345 63 63 ASP N N 120.96 0.01 1 346 64 64 HIS H H 10.610 0.01 1 347 64 64 HIS HA H 7.956 0.01 1 348 64 64 HIS C C 179.80 0.01 1 349 64 64 HIS CA C 89.79 0.01 1 350 64 64 HIS CB C 66.17 0.01 1 351 64 64 HIS N N 122.53 0.01 1 352 65 65 ILE H H 10.366 0.01 1 353 65 65 ILE HA H 5.255 0.01 1 354 65 65 ILE C C 178.97 0.01 1 355 65 65 ILE CA C 69.39 0.01 1 356 65 65 ILE CB C 37.55 0.01 1 357 65 65 ILE N N 123.63 0.01 1 358 66 66 ARG H H 8.943 0.01 1 359 66 66 ARG HA H 4.029 0.01 1 360 66 66 ARG C C 179.36 0.01 1 361 66 66 ARG CA C 60.77 0.01 1 362 66 66 ARG CB C 30.16 0.01 1 363 66 66 ARG N N 119.94 0.01 1 364 67 67 LYS H H 8.722 0.01 1 365 67 67 LYS HA H 2.974 0.01 1 366 67 67 LYS C C 177.34 0.01 1 367 67 67 LYS CA C 59.69 0.01 1 368 67 67 LYS CB C 30.46 0.01 1 369 67 67 LYS N N 119.10 0.01 1 370 68 68 VAL H H 8.438 0.01 1 371 68 68 VAL HA H 2.804 0.01 1 372 68 68 VAL C C 177.60 0.01 1 373 68 68 VAL CA C 64.83 0.01 1 374 68 68 VAL CB C 34.63 0.01 1 375 68 68 VAL N N 120.08 0.01 1 376 69 69 MET H H 7.963 0.01 1 377 69 69 MET HA H 4.345 0.01 1 378 69 69 MET C C 179.44 0.01 1 379 69 69 MET CA C 56.73 0.01 1 380 69 69 MET CB C 29.97 0.01 1 381 69 69 MET N N 114.81 0.01 1 382 70 70 LEU H H 7.662 0.01 1 383 70 70 LEU HA H 4.000 0.01 1 384 70 70 LEU C C 179.98 0.01 1 385 70 70 LEU CA C 57.43 0.01 1 386 70 70 LEU CB C 41.60 0.01 1 387 70 70 LEU N N 121.29 0.01 1 388 71 71 VAL H H 6.898 0.01 1 389 71 71 VAL HA H 3.092 0.01 1 390 71 71 VAL C C 177.51 0.01 1 391 71 71 VAL CA C 66.35 0.01 1 392 71 71 VAL CB C 30.19 0.01 1 393 71 71 VAL N N 122.32 0.01 1 394 72 72 ILE H H 7.432 0.01 1 395 72 72 ILE HA H 3.201 0.01 1 396 72 72 ILE C C 177.22 0.01 1 397 72 72 ILE CA C 64.71 0.01 1 398 72 72 ILE CB C 35.33 0.01 1 399 72 72 ILE N N 118.31 0.01 1 400 73 73 ASP H H 8.278 0.01 1 401 73 73 ASP HA H 3.956 0.01 1 402 73 73 ASP C C 178.19 0.01 1 403 73 73 ASP CA C 58.19 0.01 1 404 73 73 ASP CB C 43.48 0.01 1 405 73 73 ASP N N 118.96 0.01 1 406 74 74 ALA H H 7.667 0.01 1 407 74 74 ALA HA H 3.909 0.01 1 408 74 74 ALA C C 180.24 0.01 1 409 74 74 ALA CA C 55.06 0.01 1 410 74 74 ALA CB C 17.17 0.01 1 411 74 74 ALA N N 122.38 0.01 1 412 75 75 ALA H H 7.934 0.01 1 413 75 75 ALA HA H 3.609 0.01 1 414 75 75 ALA C C 177.47 0.01 1 415 75 75 ALA CA C 55.17 0.01 1 416 75 75 ALA CB C 16.87 0.01 1 417 75 75 ALA N N 123.62 0.01 1 418 76 76 VAL H H 8.007 0.01 1 419 76 76 VAL HA H 2.908 0.01 1 420 76 76 VAL C C 180.06 0.01 1 421 76 76 VAL CA C 66.78 0.01 1 422 76 76 VAL CB C 31.09 0.01 1 423 76 76 VAL N N 116.62 0.01 1 424 77 77 THR H H 8.456 0.01 1 425 77 77 THR HA H 3.775 0.01 1 426 77 77 THR C C 175.20 0.01 1 427 77 77 THR CA C 66.56 0.01 1 428 77 77 THR CB C 68.90 0.01 1 429 77 77 THR N N 117.19 0.01 1 430 78 78 ASN H H 7.361 0.01 1 431 78 78 ASN HA H 4.789 0.01 1 432 78 78 ASN C C 175.03 0.01 1 433 78 78 ASN CA C 53.74 0.01 1 434 78 78 ASN CB C 39.18 0.01 1 435 78 78 ASN N N 117.88 0.01 1 436 79 79 VAL H H 6.834 0.01 1 437 79 79 VAL HA H 4.116 0.01 1 438 79 79 VAL C C 174.96 0.01 1 439 79 79 VAL CA C 65.38 0.01 1 440 79 79 VAL CB C 31.06 0.01 1 441 79 79 VAL N N 120.11 0.01 1 442 80 80 GLU H H 8.130 0.01 1 443 80 80 GLU HA H 4.130 0.01 1 444 80 80 GLU C C 177.22 0.01 1 445 80 80 GLU CA C 58.18 0.01 1 446 80 80 GLU CB C 29.52 0.01 1 447 80 80 GLU N N 117.45 0.01 1 448 81 81 ASP H H 7.917 0.01 1 449 81 81 ASP HA H 4.638 0.01 1 450 81 81 ASP C C 176.04 0.01 1 451 81 81 ASP CA C 54.26 0.01 1 452 81 81 ASP CB C 40.30 0.01 1 453 81 81 ASP N N 116.55 0.01 1 454 82 82 LEU H H 8.950 0.01 1 455 82 82 LEU HA H 4.095 0.01 1 456 82 82 LEU C C 179.58 0.01 1 457 82 82 LEU CA C 56.54 0.01 1 458 82 82 LEU CB C 42.23 0.01 1 459 82 82 LEU N N 127.71 0.01 1 460 83 83 SER H H 8.528 0.01 1 461 83 83 SER HA H 4.778 0.01 1 462 83 83 SER C C 177.43 0.01 1 463 83 83 SER CA C 62.44 0.01 1 464 83 83 SER CB C 62.44 0.01 1 465 83 83 SER N N 117.29 0.01 1 466 84 84 SER H H 8.087 0.01 1 467 84 84 SER HA H 4.296 0.01 1 468 84 84 SER C C 175.43 0.01 1 469 84 84 SER CA C 60.78 0.01 1 470 84 84 SER CB C 63.03 0.01 1 471 84 84 SER N N 117.45 0.01 1 472 85 85 LEU H H 7.880 0.01 1 473 85 85 LEU HA H 4.625 0.01 1 474 85 85 LEU C C 177.05 0.01 1 475 85 85 LEU CA C 54.18 0.01 1 476 85 85 LEU CB C 43.76 0.01 1 477 85 85 LEU N N 120.56 0.01 1 478 86 86 GLU H H 7.537 0.01 1 479 86 86 GLU HA H 3.862 0.01 1 480 86 86 GLU C C 178.45 0.01 1 481 86 86 GLU CA C 61.98 0.01 1 482 86 86 GLU CB C 30.32 0.01 1 483 86 86 GLU N N 121.15 0.01 1 484 87 87 GLU H H 8.871 0.01 1 485 87 87 GLU HA H 4.187 0.01 1 486 87 87 GLU C C 179.38 0.01 1 487 87 87 GLU CA C 60.32 0.01 1 488 87 87 GLU CB C 29.02 0.01 1 489 87 87 GLU N N 120.53 0.01 1 490 88 88 TYR H H 8.517 0.01 1 491 88 88 TYR HA H 4.220 0.01 1 492 88 88 TYR C C 178.58 0.01 1 493 88 88 TYR CA C 61.07 0.01 1 494 88 88 TYR CB C 38.13 0.01 1 495 88 88 TYR N N 122.65 0.01 1 496 89 89 LEU H H 9.029 0.01 1 497 89 89 LEU HA H 4.126 0.01 1 498 89 89 LEU C C 180.17 0.01 1 499 89 89 LEU CA C 58.23 0.01 1 500 89 89 LEU CB C 41.59 0.01 1 501 89 89 LEU N N 119.54 0.01 1 502 90 90 THR H H 9.017 0.01 1 503 90 90 THR HA H 4.590 0.01 1 504 90 90 THR C C 177.37 0.01 1 505 90 90 THR CA C 68.81 0.01 1 506 90 90 THR CB C 68.81 0.01 1 507 90 90 THR N N 119.82 0.01 1 508 91 91 SER H H 8.313 0.01 1 509 91 91 SER HA H 4.539 0.01 1 510 91 91 SER C C 177.61 0.01 1 511 91 91 SER CA C 62.59 0.01 1 512 91 91 SER CB C 62.59 0.01 1 513 91 91 SER N N 118.91 0.01 1 514 92 92 LEU H H 8.901 0.01 1 515 92 92 LEU HA H 5.172 0.01 1 516 92 92 LEU C C 184.43 0.01 1 517 92 92 LEU CA C 58.57 0.01 1 518 92 92 LEU CB C 43.45 0.01 1 519 92 92 LEU N N 124.43 0.01 1 520 93 93 GLY H H 10.280 0.01 1 521 93 93 GLY HA2 H 6.500 0.01 2 522 93 93 GLY HA3 H 6.012 0.01 2 523 93 93 GLY C C 175.64 0.01 1 524 93 93 GLY CA C 50.62 0.01 1 525 93 93 GLY N N 116.30 0.01 1 526 94 94 ARG H H 9.376 0.01 1 527 94 94 ARG HA H 4.572 0.01 1 528 94 94 ARG C C 180.72 0.01 1 529 94 94 ARG CA C 61.03 0.01 1 530 94 94 ARG CB C 30.39 0.01 1 531 94 94 ARG N N 124.70 0.01 1 532 95 95 LYS H H 9.581 0.01 1 533 95 95 LYS HA H 4.906 0.01 1 534 95 95 LYS C C 180.76 0.01 1 535 95 95 LYS CA C 60.13 0.01 1 536 95 95 LYS CB C 33.16 0.01 1 537 95 95 LYS N N 119.72 0.01 1 538 96 96 HIS H H 11.614 0.01 1 539 96 96 HIS HA H 7.605 0.01 1 540 96 96 HIS C C 177.94 0.01 1 541 96 96 HIS CA C 76.57 0.01 1 542 96 96 HIS CB C 22.79 0.01 1 543 96 96 HIS N N 119.90 0.01 1 544 97 97 ARG H H 10.234 0.01 1 545 97 97 ARG HA H 4.875 0.01 1 546 97 97 ARG C C 181.08 0.01 1 547 97 97 ARG CA C 60.50 0.01 1 548 97 97 ARG CB C 29.33 0.01 1 549 97 97 ARG N N 127.13 0.01 1 550 98 98 ALA H H 8.595 0.01 1 551 98 98 ALA HA H 4.347 0.01 1 552 98 98 ALA C C 179.96 0.01 1 553 98 98 ALA CA C 55.35 0.01 1 554 98 98 ALA CB C 18.49 0.01 1 555 98 98 ALA N N 121.86 0.01 1 556 99 99 VAL H H 7.625 0.01 1 557 99 99 VAL HA H 3.904 0.01 1 558 99 99 VAL C C 175.06 0.01 1 559 99 99 VAL CA C 62.04 0.01 1 560 99 99 VAL CB C 30.64 0.01 1 561 99 99 VAL N N 112.32 0.01 1 562 100 100 GLY H H 7.537 0.01 1 563 100 100 GLY HA2 H 3.989 0.01 2 564 100 100 GLY HA3 H 3.530 0.01 2 565 100 100 GLY C C 173.98 0.01 1 566 100 100 GLY CA C 44.85 0.01 1 567 100 100 GLY N N 105.55 0.01 1 568 101 101 VAL H H 7.836 0.01 1 569 101 101 VAL HA H 3.282 0.01 1 570 101 101 VAL C C 176.55 0.01 1 571 101 101 VAL CA C 62.48 0.01 1 572 101 101 VAL CB C 31.95 0.01 1 573 101 101 VAL N N 120.27 0.01 1 574 102 102 ARG H H 9.390 0.01 1 575 102 102 ARG HA H 4.695 0.01 1 576 102 102 ARG C C 176.61 0.01 1 577 102 102 ARG CA C 55.64 0.01 1 578 102 102 ARG CB C 30.69 0.01 1 579 102 102 ARG N N 129.51 0.01 1 580 103 103 LEU H H 8.491 0.01 1 581 103 103 LEU HA H 3.703 0.01 1 582 103 103 LEU C C 180.87 0.01 1 583 103 103 LEU CA C 58.18 0.01 1 584 103 103 LEU CB C 40.76 0.01 1 585 103 103 LEU N N 125.15 0.01 1 586 104 104 SER H H 8.582 0.01 1 587 104 104 SER HA H 4.772 0.01 1 588 104 104 SER C C 177.83 0.01 1 589 104 104 SER CA C 61.56 0.01 1 590 104 104 SER CB C 61.88 0.01 1 591 104 104 SER N N 114.36 0.01 1 592 105 105 SER H H 7.759 0.01 1 593 105 105 SER HA H 4.507 0.01 1 594 105 105 SER C C 176.00 0.01 1 595 105 105 SER CA C 61.66 0.01 1 596 105 105 SER CB C 61.66 0.01 1 597 105 105 SER N N 120.40 0.01 1 598 106 106 PHE H H 8.380 0.01 1 599 106 106 PHE HA H 3.989 0.01 1 600 106 106 PHE C C 180.63 0.01 1 601 106 106 PHE CA C 62.17 0.01 1 602 106 106 PHE CB C 37.54 0.01 1 603 106 106 PHE N N 117.11 0.01 1 604 107 107 SER H H 8.328 0.01 1 605 107 107 SER HA H 4.766 0.01 1 606 107 107 SER C C 176.72 0.01 1 607 107 107 SER CA C 61.64 0.01 1 608 107 107 SER CB C 61.91 0.01 1 609 107 107 SER N N 121.98 0.01 1 610 108 108 THR H H 7.221 0.01 1 611 108 108 THR HA H 3.779 0.01 1 612 108 108 THR C C 178.60 0.01 1 613 108 108 THR CA C 64.82 0.01 1 614 108 108 THR CB C 66.56 0.01 1 615 108 108 THR N N 121.18 0.01 1 616 109 109 VAL H H 7.508 0.01 1 617 109 109 VAL HA H 2.772 0.01 1 618 109 109 VAL C C 176.62 0.01 1 619 109 109 VAL CA C 66.52 0.01 1 620 109 109 VAL CB C 30.54 0.01 1 621 109 109 VAL N N 121.63 0.01 1 622 110 110 GLY H H 7.191 0.01 1 623 110 110 GLY HA2 H 3.707 0.01 2 624 110 110 GLY HA3 H 2.491 0.01 2 625 110 110 GLY C C 175.25 0.01 1 626 110 110 GLY CA C 48.44 0.01 1 627 110 110 GLY N N 107.74 0.01 1 628 111 111 GLU H H 7.333 0.01 1 629 111 111 GLU HA H 3.915 0.01 1 630 111 111 GLU C C 180.20 0.01 1 631 111 111 GLU CA C 59.34 0.01 1 632 111 111 GLU CB C 29.33 0.01 1 633 111 111 GLU N N 119.76 0.01 1 634 112 112 SER H H 7.681 0.01 1 635 112 112 SER HA H 3.869 0.01 1 636 112 112 SER C C 174.92 0.01 1 637 112 112 SER CA C 62.57 0.01 1 638 112 112 SER CB C 62.57 0.01 1 639 112 112 SER N N 117.54 0.01 1 640 113 113 LEU H H 8.431 0.01 1 641 113 113 LEU HA H 3.707 0.01 1 642 113 113 LEU C C 177.68 0.01 1 643 113 113 LEU CA C 58.42 0.01 1 644 113 113 LEU CB C 41.72 0.01 1 645 113 113 LEU N N 125.67 0.01 1 646 114 114 LEU H H 7.734 0.01 1 647 114 114 LEU HA H 3.796 0.01 1 648 114 114 LEU C C 178.78 0.01 1 649 114 114 LEU CA C 58.44 0.01 1 650 114 114 LEU CB C 40.71 0.01 1 651 114 114 LEU N N 117.52 0.01 1 652 115 115 TYR H H 7.754 0.01 1 653 115 115 TYR HA H 4.018 0.01 1 654 115 115 TYR C C 176.37 0.01 1 655 115 115 TYR CA C 61.64 0.01 1 656 115 115 TYR CB C 38.44 0.01 1 657 115 115 TYR N N 120.50 0.01 1 658 116 116 MET H H 8.177 0.01 1 659 116 116 MET HA H 3.604 0.01 1 660 116 116 MET C C 178.83 0.01 1 661 116 116 MET CA C 59.13 0.01 1 662 116 116 MET CB C 31.93 0.01 1 663 116 116 MET N N 119.97 0.01 1 664 117 117 LEU H H 7.988 0.01 1 665 117 117 LEU HA H 3.369 0.01 1 666 117 117 LEU C C 177.42 0.01 1 667 117 117 LEU CA C 57.68 0.01 1 668 117 117 LEU CB C 41.98 0.01 1 669 117 117 LEU N N 121.85 0.01 1 670 118 118 GLU H H 7.745 0.01 1 671 118 118 GLU HA H 3.228 0.01 1 672 118 118 GLU C C 179.74 0.01 1 673 118 118 GLU CA C 59.81 0.01 1 674 118 118 GLU CB C 29.24 0.01 1 675 118 118 GLU N N 121.21 0.01 1 676 119 119 LYS H H 7.947 0.01 1 677 119 119 LYS HA H 3.824 0.01 1 678 119 119 LYS C C 178.70 0.01 1 679 119 119 LYS CA C 57.53 0.01 1 680 119 119 LYS CB C 31.49 0.01 1 681 119 119 LYS N N 118.23 0.01 1 682 120 120 SER H H 7.681 0.01 1 683 120 120 SER HA H 4.212 0.01 1 684 120 120 SER C C 176.26 0.01 1 685 120 120 SER CA C 60.46 0.01 1 686 120 120 SER CB C 63.55 0.01 1 687 120 120 SER N N 112.32 0.01 1 688 121 121 LEU H H 8.139 0.01 1 689 121 121 LEU HA H 4.380 0.01 1 690 121 121 LEU C C 179.25 0.01 1 691 121 121 LEU CA C 55.68 0.01 1 692 121 121 LEU CB C 44.12 0.01 1 693 121 121 LEU N N 118.61 0.01 1 694 122 122 GLY H H 8.101 0.01 1 695 122 122 GLY HA2 H 4.204 0.01 2 696 122 122 GLY HA3 H 3.758 0.01 2 697 122 122 GLY CA C 45.46 0.01 1 698 122 122 GLY N N 111.87 0.01 1 699 123 123 PRO HA H 4.420 0.01 1 700 123 123 PRO C C 177.26 0.01 1 701 123 123 PRO CA C 64.23 0.01 1 702 123 123 PRO CB C 32.00 0.01 1 703 124 124 ASP H H 7.591 0.01 1 704 124 124 ASP HA H 4.777 0.01 1 705 124 124 ASP C C 176.87 0.01 1 706 124 124 ASP CA C 55.57 0.01 1 707 124 124 ASP CB C 40.49 0.01 1 708 124 124 ASP N N 116.32 0.01 1 709 125 125 PHE H H 8.496 0.01 1 710 125 125 PHE HA H 4.801 0.01 1 711 125 125 PHE C C 173.79 0.01 1 712 125 125 PHE CA C 56.32 0.01 1 713 125 125 PHE CB C 36.97 0.01 1 714 125 125 PHE N N 125.72 0.01 1 715 126 126 THR H H 7.231 0.01 1 716 126 126 THR HA H 4.609 0.01 1 717 126 126 THR CA C 60.24 0.01 1 718 126 126 THR CB C 68.75 0.01 1 719 126 126 THR N N 114.26 0.01 1 720 127 127 PRO HA H 4.775 0.01 1 721 127 127 PRO C C 179.06 0.01 1 722 127 127 PRO CA C 66.41 0.01 1 723 127 127 PRO CB C 31.56 0.01 1 724 128 128 ALA H H 8.275 0.01 1 725 128 128 ALA HA H 4.119 0.01 1 726 128 128 ALA C C 180.75 0.01 1 727 128 128 ALA CA C 55.18 0.01 1 728 128 128 ALA CB C 18.61 0.01 1 729 128 128 ALA N N 118.33 0.01 1 730 129 129 THR H H 7.807 0.01 1 731 129 129 THR HA H 4.252 0.01 1 732 129 129 THR C C 175.47 0.01 1 733 129 129 THR CA C 67.82 0.01 1 734 129 129 THR CB C 68.11 0.01 1 735 129 129 THR N N 119.25 0.01 1 736 130 130 ARG H H 8.074 0.01 1 737 130 130 ARG HA H 3.676 0.01 1 738 130 130 ARG C C 178.65 0.01 1 739 130 130 ARG CA C 60.22 0.01 1 740 130 130 ARG CB C 29.74 0.01 1 741 130 130 ARG N N 123.77 0.01 1 742 131 131 THR H H 8.521 0.01 1 743 131 131 THR HA H 3.862 0.01 1 744 131 131 THR C C 176.21 0.01 1 745 131 131 THR CA C 66.91 0.01 1 746 131 131 THR CB C 68.83 0.01 1 747 131 131 THR N N 117.37 0.01 1 748 132 132 ALA H H 7.925 0.01 1 749 132 132 ALA HA H 4.026 0.01 1 750 132 132 ALA C C 179.94 0.01 1 751 132 132 ALA CA C 55.81 0.01 1 752 132 132 ALA CB C 18.15 0.01 1 753 132 132 ALA N N 124.43 0.01 1 754 133 133 TRP H H 8.357 0.01 1 755 133 133 TRP HA H 4.044 0.01 1 756 133 133 TRP C C 178.95 0.01 1 757 133 133 TRP CA C 62.18 0.01 1 758 133 133 TRP CB C 29.56 0.01 1 759 133 133 TRP N N 118.64 0.01 1 760 134 134 SER H H 8.729 0.01 1 761 134 134 SER HA H 4.390 0.01 1 762 134 134 SER C C 177.98 0.01 1 763 134 134 SER CA C 62.78 0.01 1 764 134 134 SER CB C 62.78 0.01 1 765 134 134 SER N N 115.66 0.01 1 766 135 135 ARG H H 8.153 0.01 1 767 135 135 ARG HA H 4.418 0.01 1 768 135 135 ARG C C 175.23 0.01 1 769 135 135 ARG CA C 58.01 0.01 1 770 135 135 ARG CB C 39.84 0.01 1 771 135 135 ARG N N 123.54 0.01 1 772 136 136 LEU H H 8.189 0.01 1 773 136 136 LEU HA H 4.113 0.01 1 774 136 136 LEU C C 178.13 0.01 1 775 136 136 LEU CA C 58.40 0.01 1 776 136 136 LEU CB C 41.69 0.01 1 777 136 136 LEU N N 122.56 0.01 1 778 137 137 TYR H H 9.262 0.01 1 779 137 137 TYR HA H 3.888 0.01 1 780 137 137 TYR C C 177.28 0.01 1 781 137 137 TYR CA C 63.37 0.01 1 782 137 137 TYR CB C 38.45 0.01 1 783 137 137 TYR N N 118.83 0.01 1 784 138 138 GLY H H 8.302 0.01 1 785 138 138 GLY HA2 H 3.981 0.01 2 786 138 138 GLY HA3 H 3.786 0.01 2 787 138 138 GLY C C 176.26 0.01 1 788 138 138 GLY CA C 47.37 0.01 1 789 138 138 GLY N N 105.08 0.01 1 790 139 139 ALA H H 7.807 0.01 1 791 139 139 ALA HA H 4.264 0.01 1 792 139 139 ALA C C 180.95 0.01 1 793 139 139 ALA CA C 55.35 0.01 1 794 139 139 ALA CB C 18.29 0.01 1 795 139 139 ALA N N 125.54 0.01 1 796 140 140 VAL H H 8.015 0.01 1 797 140 140 VAL HA H 3.616 0.01 1 798 140 140 VAL C C 178.25 0.01 1 799 140 140 VAL CA C 66.71 0.01 1 800 140 140 VAL CB C 31.23 0.01 1 801 140 140 VAL N N 122.35 0.01 1 802 141 141 VAL H H 8.524 0.01 1 803 141 141 VAL HA H 3.728 0.01 1 804 141 141 VAL C C 178.65 0.01 1 805 141 141 VAL CA C 66.88 0.01 1 806 141 141 VAL CB C 31.30 0.01 1 807 141 141 VAL N N 120.03 0.01 1 808 142 142 GLN H H 8.461 0.01 1 809 142 142 GLN HA H 4.138 0.01 1 810 142 142 GLN C C 179.69 0.01 1 811 142 142 GLN CA C 59.73 0.01 1 812 142 142 GLN CB C 28.42 0.01 1 813 142 142 GLN N N 121.88 0.01 1 814 143 143 ALA H H 7.646 0.01 1 815 143 143 ALA HA H 4.452 0.01 1 816 143 143 ALA C C 180.54 0.01 1 817 143 143 ALA CA C 55.60 0.01 1 818 143 143 ALA CB C 19.63 0.01 1 819 143 143 ALA N N 121.80 0.01 1 820 144 144 MET H H 8.752 0.01 1 821 144 144 MET HA H 4.941 0.01 1 822 144 144 MET C C 180.88 0.01 1 823 144 144 MET CA C 60.21 0.01 1 824 144 144 MET CB C 34.91 0.01 1 825 144 144 MET N N 116.82 0.01 1 826 145 145 SER H H 9.423 0.01 1 827 145 145 SER HA H 4.954 0.01 1 828 145 145 SER C C 177.05 0.01 1 829 145 145 SER CA C 62.84 0.01 1 830 145 145 SER CB C 63.40 0.01 1 831 145 145 SER N N 114.42 0.01 1 832 146 146 ARG H H 7.877 0.01 1 833 146 146 ARG HA H 4.702 0.01 1 834 146 146 ARG C C 179.57 0.01 1 835 146 146 ARG CA C 58.84 0.01 1 836 146 146 ARG CB C 30.41 0.01 1 837 146 146 ARG N N 124.14 0.01 1 838 147 147 GLY H H 9.582 0.01 1 839 147 147 GLY HA2 H 4.423 0.01 2 840 147 147 GLY HA3 H 4.507 0.01 2 841 147 147 GLY C C 173.85 0.01 1 842 147 147 GLY CA C 47.09 0.01 1 843 147 147 GLY N N 107.24 0.01 1 844 148 148 TRP H H 8.592 0.01 1 845 148 148 TRP HA H 4.904 0.01 1 846 148 148 TRP C C 176.10 0.01 1 847 148 148 TRP CA C 60.66 0.01 1 848 148 148 TRP CB C 30.86 0.01 1 849 148 148 TRP N N 121.50 0.01 1 850 149 149 ASP H H 7.901 0.01 1 851 149 149 ASP HA H 4.963 0.01 1 852 149 149 ASP C C 176.95 0.01 1 853 149 149 ASP CA C 55.29 0.01 1 854 149 149 ASP CB C 41.74 0.01 1 855 149 149 ASP N N 120.43 0.01 1 856 150 150 GLY H H 8.571 0.01 1 857 150 150 GLY HA2 H 4.255 0.01 2 858 150 150 GLY HA3 H 4.064 0.01 2 859 150 150 GLY C C 173.72 0.01 1 860 150 150 GLY CA C 45.62 0.01 1 861 150 150 GLY N N 109.65 0.01 1 862 151 151 GLU H H 8.212 0.01 1 863 151 151 GLU HA H 4.256 0.01 1 864 151 151 GLU CA C 58.50 0.01 1 865 151 151 GLU CB C 31.29 0.01 1 866 151 151 GLU N N 126.23 0.01 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details 'ngb_formA corresponds to the minor form (30%, form A)' loop_ _Experiment_label '3D 1H-15N NOESY' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name metNgb _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 2 2 GLU HA H 4.384 0.01 1 2 2 2 GLU C C 177.12 0.01 1 3 2 2 GLU CA C 55.91 0.01 1 4 2 2 GLU CB C 31.05 0.01 1 5 3 3 ARG H H 8.865 0.01 1 6 3 3 ARG HA H 4.377 0.01 1 7 3 3 ARG CA C 56.01 0.01 1 8 3 3 ARG N N 123.05 0.01 1 9 4 4 PRO HA H 4.501 0.01 1 10 5 5 GLU H H 8.918 0.01 1 11 5 5 GLU HA H 4.375 0.01 1 12 5 5 GLU C C 178.04 0.01 1 13 5 5 GLU CA C 59.66 0.01 1 14 5 5 GLU CB C 29.51 0.01 1 15 5 5 GLU N N 123.04 0.01 1 16 6 6 SER H H 8.203 0.01 1 17 6 6 SER HA H 3.817 0.01 1 18 6 6 SER C C 176.44 0.01 1 19 6 6 SER CA C 62.01 0.01 1 20 6 6 SER CB C 62.01 0.01 1 21 6 6 SER N N 115.92 0.01 1 22 7 7 GLU H H 7.897 0.01 1 23 7 7 GLU HA H 4.160 0.01 1 24 7 7 GLU C C 178.87 0.01 1 25 7 7 GLU CA C 59.93 0.01 1 26 7 7 GLU CB C 29.52 0.01 1 27 7 7 GLU N N 121.51 0.01 1 28 8 8 LEU H H 7.507 0.01 1 29 8 8 LEU HA H 4.168 0.01 1 30 8 8 LEU C C 181.99 0.01 1 31 8 8 LEU CA C 57.74 0.01 1 32 8 8 LEU CB C 41.45 0.01 1 33 8 8 LEU N N 118.40 0.01 1 34 9 9 ILE H H 7.776 0.01 1 35 9 9 ILE HA H 3.373 0.01 1 36 9 9 ILE C C 177.25 0.01 1 37 9 9 ILE CA C 63.93 0.01 1 38 9 9 ILE CB C 36.88 0.01 1 39 9 9 ILE N N 121.62 0.01 1 40 10 10 ARG H H 8.300 0.01 1 41 10 10 ARG HA H 3.862 0.01 1 42 10 10 ARG C C 179.97 0.01 1 43 10 10 ARG CA C 61.20 0.01 1 44 10 10 ARG CB C 30.68 0.01 1 45 10 10 ARG N N 118.94 0.01 1 46 11 11 GLN H H 8.669 0.01 1 47 11 11 GLN HA H 4.145 0.01 1 48 11 11 GLN C C 178.72 0.01 1 49 11 11 GLN CA C 59.04 0.01 1 50 11 11 GLN CB C 28.46 0.01 1 51 11 11 GLN N N 116.57 0.01 1 52 12 12 SER H H 7.773 0.01 1 53 12 12 SER HA H 4.493 0.01 1 54 12 12 SER C C 176.87 0.01 1 55 12 12 SER CA C 60.77 0.01 1 56 12 12 SER CB C 64.19 0.01 1 57 12 12 SER N N 113.21 0.01 1 58 13 13 TRP H H 9.096 0.01 1 59 13 13 TRP HA H 4.782 0.01 1 60 13 13 TRP C C 177.88 0.01 1 61 13 13 TRP CA C 58.67 0.01 1 62 13 13 TRP CB C 31.37 0.01 1 63 13 13 TRP N N 123.58 0.01 1 64 14 14 ARG H H 7.841 0.01 1 65 14 14 ARG HA H 3.878 0.01 1 66 14 14 ARG C C 178.22 0.01 1 67 14 14 ARG CA C 59.55 0.01 1 68 14 14 ARG CB C 30.10 0.01 1 69 14 14 ARG N N 117.90 0.01 1 70 15 15 VAL H H 7.005 0.01 1 71 15 15 VAL HA H 3.554 0.01 1 72 15 15 VAL C C 178.59 0.01 1 73 15 15 VAL CA C 66.11 0.01 1 74 15 15 VAL CB C 32.04 0.01 1 75 15 15 VAL N N 116.74 0.01 1 76 16 16 VAL H H 6.831 0.01 1 77 16 16 VAL HA H 2.791 0.01 1 78 16 16 VAL C C 177.77 0.01 1 79 16 16 VAL CA C 64.49 0.01 1 80 16 16 VAL CB C 31.41 0.01 1 81 16 16 VAL N N 119.63 0.01 1 82 17 17 SER H H 8.000 0.01 1 83 17 17 SER HA H 4.780 0.01 1 84 17 17 SER C C 174.32 0.01 1 85 17 17 SER CA C 60.54 0.01 1 86 17 17 SER CB C 62.62 0.01 1 87 17 17 SER N N 111.90 0.01 1 88 18 18 ARG H H 6.940 0.01 1 89 18 18 ARG HA H 4.178 0.01 1 90 18 18 ARG C C 177.65 0.01 1 91 18 18 ARG CA C 58.22 0.01 1 92 18 18 ARG CB C 30.81 0.01 1 93 18 18 ARG N N 119.57 0.01 1 94 19 19 SER H H 7.517 0.01 1 95 19 19 SER HA H 4.012 0.01 1 96 19 19 SER CA C 55.16 0.01 1 97 19 19 SER CB C 62.81 0.01 1 98 19 19 SER N N 110.32 0.01 1 99 20 20 PRO HA H 4.775 0.01 1 100 20 20 PRO C C 179.40 0.01 1 101 20 20 PRO CA C 66.06 0.01 1 102 20 20 PRO CB C 32.19 0.01 1 103 21 21 LEU H H 8.328 0.01 1 104 21 21 LEU HA H 4.369 0.01 1 105 21 21 LEU C C 179.90 0.01 1 106 21 21 LEU CA C 58.38 0.01 1 107 21 21 LEU CB C 41.30 0.01 1 108 21 21 LEU N N 119.41 0.01 1 109 22 22 GLU H H 8.623 0.01 1 110 22 22 GLU HA H 4.184 0.01 1 111 22 22 GLU C C 180.01 0.01 1 112 22 22 GLU CA C 60.29 0.01 1 113 22 22 GLU CB C 29.02 0.01 1 114 22 22 GLU N N 122.24 0.01 1 115 23 23 HIS H H 7.703 0.01 1 116 23 23 HIS HA H 4.473 0.01 1 117 23 23 HIS C C 178.36 0.01 1 118 23 23 HIS CA C 60.61 0.01 1 119 23 23 HIS CB C 30.08 0.01 1 120 23 23 HIS N N 117.94 0.01 1 121 24 24 GLY H H 9.138 0.01 1 122 24 24 GLY HA2 H 4.173 0.01 2 123 24 24 GLY HA3 H 4.173 0.01 2 124 24 24 GLY C C 176.41 0.01 1 125 24 24 GLY CA C 48.16 0.01 1 126 24 24 GLY N N 109.68 0.01 1 127 25 25 THR H H 8.588 0.01 1 128 25 25 THR HA H 4.392 0.01 1 129 25 25 THR C C 176.33 0.01 1 130 25 25 THR CA C 68.44 0.01 1 131 25 25 THR CB C 68.80 0.01 1 132 25 25 THR N N 117.83 0.01 1 133 26 26 VAL H H 7.357 0.01 1 134 26 26 VAL HA H 3.784 0.01 1 135 26 26 VAL C C 178.50 0.01 1 136 26 26 VAL CA C 66.74 0.01 1 137 26 26 VAL CB C 31.59 0.01 1 138 26 26 VAL N N 124.12 0.01 1 139 27 27 LEU H H 7.610 0.01 1 140 27 27 LEU HA H 3.699 0.01 1 141 27 27 LEU C C 178.99 0.01 1 142 27 27 LEU CA C 60.05 0.01 1 143 27 27 LEU CB C 42.34 0.01 1 144 27 27 LEU N N 120.20 0.01 1 145 28 28 PHE H H 8.296 0.01 1 146 28 28 PHE HA H 3.358 0.01 1 147 28 28 PHE C C 176.02 0.01 1 148 28 28 PHE CA C 63.44 0.01 1 149 28 28 PHE CB C 38.98 0.01 1 150 28 28 PHE N N 116.32 0.01 1 151 29 29 ALA H H 8.676 0.01 1 152 29 29 ALA HA H 4.163 0.01 1 153 29 29 ALA C C 181.37 0.01 1 154 29 29 ALA CA C 55.55 0.01 1 155 29 29 ALA CB C 17.84 0.01 1 156 29 29 ALA N N 121.91 0.01 1 157 30 30 ARG H H 7.734 0.01 1 158 30 30 ARG HA H 3.825 0.01 1 159 30 30 ARG C C 176.77 0.01 1 160 30 30 ARG CA C 56.76 0.01 1 161 30 30 ARG CB C 29.40 0.01 1 162 30 30 ARG N N 119.63 0.01 1 163 31 31 LEU H H 7.798 0.01 1 164 31 31 LEU HA H 3.356 0.01 1 165 31 31 LEU C C 178.29 0.01 1 166 31 31 LEU CA C 58.19 0.01 1 167 31 31 LEU CB C 41.72 0.01 1 168 31 31 LEU N N 121.51 0.01 1 169 32 32 PHE H H 7.624 0.01 1 170 32 32 PHE HA H 4.278 0.01 1 171 32 32 PHE C C 177.77 0.01 1 172 32 32 PHE CA C 57.20 0.01 1 173 32 32 PHE CB C 37.79 0.01 1 174 32 32 PHE N N 113.33 0.01 1 175 33 33 ALA H H 7.349 0.01 1 176 33 33 ALA HA H 4.083 0.01 1 177 33 33 ALA C C 180.03 0.01 1 178 33 33 ALA CA C 54.40 0.01 1 179 33 33 ALA CB C 18.08 0.01 1 180 33 33 ALA N N 121.52 0.01 1 181 34 34 LEU H H 7.625 0.01 1 182 34 34 LEU HA H 4.004 0.01 1 183 34 34 LEU C C 178.25 0.01 1 184 34 34 LEU CA C 56.44 0.01 1 185 34 34 LEU CB C 43.26 0.01 1 186 34 34 LEU N N 117.43 0.01 1 187 35 35 GLU H H 8.364 0.01 1 188 35 35 GLU HA H 4.463 0.01 1 189 35 35 GLU CA C 54.17 0.01 1 190 35 35 GLU CB C 30.86 0.01 1 191 35 35 GLU N N 120.11 0.01 1 192 36 36 PRO HA H 4.366 0.01 1 193 36 36 PRO C C 178.62 0.01 1 194 36 36 PRO CA C 66.77 0.01 1 195 36 36 PRO CB C 31.59 0.01 1 196 37 37 SER H H 7.766 0.01 1 197 37 37 SER HA H 3.981 0.01 1 198 37 37 SER C C 174.93 0.01 1 199 37 37 SER CA C 59.75 0.01 1 200 37 37 SER CB C 61.96 0.01 1 201 37 37 SER N N 111.25 0.01 1 202 38 38 LEU H H 7.558 0.01 1 203 38 38 LEU HA H 3.640 0.01 1 204 38 38 LEU C C 177.60 0.01 1 205 38 38 LEU CA C 55.79 0.01 1 206 38 38 LEU CB C 42.00 0.01 1 207 38 38 LEU N N 121.06 0.01 1 208 39 39 LEU H H 7.061 0.01 1 209 39 39 LEU HA H 3.753 0.01 1 210 39 39 LEU CA C 59.72 0.01 1 211 39 39 LEU CB C 39.48 0.01 1 212 39 39 LEU N N 119.27 0.01 1 213 40 40 PRO HA H 5.092 0.01 1 214 40 40 PRO C C 175.80 0.01 1 215 40 40 PRO CA C 64.70 0.01 1 216 40 40 PRO CB C 31.52 0.01 1 217 41 41 LEU H H 6.662 0.01 1 218 41 41 LEU HA H 3.448 0.01 1 219 41 41 LEU C C 177.02 0.01 1 220 41 41 LEU CA C 55.46 0.01 1 221 41 41 LEU CB C 39.87 0.01 1 222 41 41 LEU N N 114.55 0.01 1 223 42 42 PHE H H 7.005 0.01 1 224 42 42 PHE HA H 3.950 0.01 1 225 42 42 PHE C C 174.43 0.01 1 226 42 42 PHE CA C 58.43 0.01 1 227 42 42 PHE CB C 39.46 0.01 1 228 42 42 PHE N N 116.74 0.01 1 229 43 43 GLN H H 7.988 0.01 1 230 43 43 GLN HA H 4.614 0.01 1 231 43 43 GLN C C 175.47 0.01 1 232 43 43 GLN CA C 54.18 0.01 1 233 43 43 GLN CB C 29.42 0.01 1 234 43 43 GLN N N 124.43 0.01 1 235 44 44 TYR H H 7.948 0.01 1 236 44 44 TYR HA H 4.894 0.01 1 237 44 44 TYR CA C 58.07 0.01 1 238 44 44 TYR CB C 39.76 0.01 1 239 44 44 TYR N N 123.00 0.01 1 240 45 45 ASN HA H 4.778 0.01 1 241 45 45 ASN C C 175.36 0.01 1 242 45 45 ASN CA C 54.59 0.01 1 243 45 45 ASN CB C 38.01 0.01 1 244 46 46 GLY H H 8.506 0.01 1 245 46 46 GLY HA2 H 4.078 0.01 2 246 46 46 GLY HA3 H 3.673 0.01 2 247 46 46 GLY C C 173.90 0.01 1 248 46 46 GLY CA C 45.86 0.01 1 249 46 46 GLY N N 104.48 0.01 1 250 47 47 ARG H H 7.610 0.01 1 251 47 47 ARG HA H 4.588 0.01 1 252 47 47 ARG C C 174.80 0.01 1 253 47 47 ARG CA C 54.95 0.01 1 254 47 47 ARG CB C 32.81 0.01 1 255 47 47 ARG N N 120.20 0.01 1 256 48 48 GLN H H 8.358 0.01 1 257 48 48 GLN HA H 4.338 0.01 1 258 48 48 GLN C C 176.63 0.01 1 259 48 48 GLN CA C 54.09 0.01 1 260 48 48 GLN CB C 31.23 0.01 1 261 48 48 GLN N N 121.09 0.01 1 262 49 49 PHE H H 9.566 0.01 1 263 49 49 PHE HA H 4.944 0.01 1 264 49 49 PHE C C 176.58 0.01 1 265 49 49 PHE CA C 56.92 0.01 1 266 49 49 PHE CB C 39.61 0.01 1 267 49 49 PHE N N 123.27 0.01 1 268 50 50 SER H H 9.648 0.01 1 269 50 50 SER HA H 4.366 0.01 1 270 50 50 SER C C 174.18 0.01 1 271 50 50 SER CA C 59.87 0.01 1 272 50 50 SER CB C 63.96 0.01 1 273 50 50 SER N N 117.53 0.01 1 274 51 51 SER H H 7.716 0.01 1 275 51 51 SER HA H 4.760 0.01 1 276 51 51 SER CA C 56.27 0.01 1 277 51 51 SER CB C 64.07 0.01 1 278 51 51 SER N N 114.34 0.01 1 279 52 52 PRO HA H 4.760 0.01 1 280 52 52 PRO C C 178.94 0.01 1 281 52 52 PRO CA C 65.32 0.01 1 282 52 52 PRO CB C 32.11 0.01 1 283 53 53 GLU H H 8.971 0.01 1 284 53 53 GLU HA H 3.903 0.01 1 285 53 53 GLU C C 178.86 0.01 1 286 53 53 GLU CA C 60.58 0.01 1 287 53 53 GLU CB C 28.49 0.01 1 288 53 53 GLU N N 118.99 0.01 1 289 54 54 ASP H H 7.683 0.01 1 290 54 54 ASP HA H 4.385 0.01 1 291 54 54 ASP C C 178.59 0.01 1 292 54 54 ASP CA C 56.91 0.01 1 293 54 54 ASP CB C 41.93 0.01 1 294 54 54 ASP N N 119.96 0.01 1 295 55 55 SER H H 7.043 0.01 1 296 55 55 SER HA H 2.291 0.01 1 297 55 55 SER C C 174.90 0.01 1 298 55 55 SER CA C 61.80 0.01 1 299 55 55 SER CB C 62.10 0.01 1 300 55 55 SER N N 115.12 0.01 1 301 56 56 LEU H H 6.800 0.01 1 302 56 56 LEU HA H 4.343 0.01 1 303 56 56 LEU C C 177.25 0.01 1 304 56 56 LEU CA C 56.56 0.01 1 305 56 56 LEU CB C 41.13 0.01 1 306 56 56 LEU N N 117.52 0.01 1 307 57 57 SER H H 7.471 0.01 1 308 57 57 SER HA H 4.813 0.01 1 309 57 57 SER C C 174.58 0.01 1 310 57 57 SER CA C 58.12 0.01 1 311 57 57 SER CB C 64.53 0.01 1 312 57 57 SER N N 110.96 0.01 1 313 58 58 SER H H 7.742 0.01 1 314 58 58 SER HA H 5.471 0.01 1 315 58 58 SER CA C 54.71 0.01 1 316 58 58 SER CB C 64.43 0.01 1 317 58 58 SER N N 119.39 0.01 1 318 59 59 PRO HA H 4.655 0.01 1 319 59 59 PRO C C 180.39 0.01 1 320 59 59 PRO CA C 65.62 0.01 1 321 59 59 PRO CB C 32.48 0.01 1 322 60 60 GLU H H 9.533 0.01 1 323 60 60 GLU HA H 4.655 0.01 1 324 60 60 GLU C C 180.82 0.01 1 325 60 60 GLU CA C 61.65 0.01 1 326 60 60 GLU CB C 28.01 0.01 1 327 60 60 GLU N N 120.07 0.01 1 328 61 61 PHE H H 9.029 0.01 1 329 61 61 PHE HA H 6.321 0.01 1 330 61 61 PHE C C 181.29 0.01 1 331 61 61 PHE CA C 63.75 0.01 1 332 61 61 PHE CB C 41.40 0.01 1 333 61 61 PHE N N 124.74 0.01 1 334 62 62 LEU H H 9.482 0.01 1 335 62 62 LEU HA H 4.965 0.01 1 336 62 62 LEU C C 180.60 0.01 1 337 62 62 LEU CA C 59.27 0.01 1 338 62 62 LEU CB C 41.72 0.01 1 339 62 62 LEU N N 122.59 0.01 1 340 63 63 ASP H H 9.352 0.01 1 341 63 63 ASP HA H 5.409 0.01 1 342 63 63 ASP C C 181.22 0.01 1 343 63 63 ASP CA C 58.70 0.01 1 344 63 63 ASP CB C 41.40 0.01 1 345 63 63 ASP N N 121.03 0.01 1 346 64 64 HIS H H 10.582 0.01 1 347 64 64 HIS HA H 7.717 0.01 1 348 64 64 HIS C C 179.59 0.01 1 349 64 64 HIS CA C 92.42 0.01 1 350 64 64 HIS N N 122.41 0.01 1 351 65 65 ILE H H 10.206 0.01 1 352 65 65 ILE HA H 5.096 0.01 1 353 65 65 ILE C C 178.92 0.01 1 354 65 65 ILE CA C 69.18 0.01 1 355 65 65 ILE CB C 37.33 0.01 1 356 65 65 ILE N N 123.61 0.01 1 357 66 66 ARG H H 8.898 0.01 1 358 66 66 ARG HA H 4.008 0.01 1 359 66 66 ARG C C 179.30 0.01 1 360 66 66 ARG CA C 60.76 0.01 1 361 66 66 ARG CB C 30.14 0.01 1 362 66 66 ARG N N 119.84 0.01 1 363 67 67 LYS H H 8.666 0.01 1 364 67 67 LYS HA H 2.960 0.01 1 365 67 67 LYS C C 177.36 0.01 1 366 67 67 LYS CA C 59.68 0.01 1 367 67 67 LYS CB C 30.14 0.01 1 368 67 67 LYS N N 119.10 0.01 1 369 68 68 VAL H H 8.435 0.01 1 370 68 68 VAL HA H 2.689 0.01 1 371 68 68 VAL C C 177.73 0.01 1 372 68 68 VAL CA C 64.97 0.01 1 373 68 68 VAL CB C 34.63 0.01 1 374 68 68 VAL N N 119.72 0.01 1 375 69 69 MET H H 7.979 0.01 1 376 69 69 MET HA H 4.370 0.01 1 377 69 69 MET C C 179.44 0.01 1 378 69 69 MET CA C 56.76 0.01 1 379 69 69 MET CB C 30.06 0.01 1 380 69 69 MET N N 114.84 0.01 1 381 70 70 LEU H H 7.806 0.01 1 382 70 70 LEU HA H 4.020 0.01 1 383 70 70 LEU C C 180.06 0.01 1 384 70 70 LEU CA C 57.53 0.01 1 385 70 70 LEU CB C 41.73 0.01 1 386 70 70 LEU N N 121.62 0.01 1 387 71 71 VAL H H 6.959 0.01 1 388 71 71 VAL HA H 3.222 0.01 1 389 71 71 VAL C C 177.54 0.01 1 390 71 71 VAL CA C 66.45 0.01 1 391 71 71 VAL CB C 30.40 0.01 1 392 71 71 VAL N N 122.26 0.01 1 393 72 72 ILE H H 7.610 0.01 1 394 72 72 ILE HA H 3.297 0.01 1 395 72 72 ILE C C 177.22 0.01 1 396 72 72 ILE CA C 64.71 0.01 1 397 72 72 ILE CB C 35.33 0.01 1 398 72 72 ILE N N 118.73 0.01 1 399 73 73 ASP H H 8.315 0.01 1 400 73 73 ASP HA H 3.987 0.01 1 401 73 73 ASP C C 178.21 0.01 1 402 73 73 ASP CA C 58.19 0.01 1 403 73 73 ASP CB C 43.48 0.01 1 404 73 73 ASP N N 119.00 0.01 1 405 74 74 ALA H H 7.703 0.01 1 406 74 74 ALA HA H 3.950 0.01 1 407 74 74 ALA C C 180.27 0.01 1 408 74 74 ALA CA C 55.07 0.01 1 409 74 74 ALA CB C 17.28 0.01 1 410 74 74 ALA N N 122.44 0.01 1 411 75 75 ALA H H 8.042 0.01 1 412 75 75 ALA HA H 3.659 0.01 1 413 75 75 ALA C C 177.53 0.01 1 414 75 75 ALA CA C 55.19 0.01 1 415 75 75 ALA CB C 16.90 0.01 1 416 75 75 ALA N N 123.79 0.01 1 417 76 76 VAL H H 8.050 0.01 1 418 76 76 VAL HA H 2.933 0.01 1 419 76 76 VAL C C 180.06 0.01 1 420 76 76 VAL CA C 66.78 0.01 1 421 76 76 VAL CB C 31.09 0.01 1 422 76 76 VAL N N 116.74 0.01 1 423 77 77 THR H H 8.456 0.01 1 424 77 77 THR HA H 3.786 0.01 1 425 77 77 THR C C 175.22 0.01 1 426 77 77 THR CA C 66.55 0.01 1 427 77 77 THR CB C 68.90 0.01 1 428 77 77 THR N N 117.19 0.01 1 429 78 78 ASN H H 7.404 0.01 1 430 78 78 ASN HA H 4.810 0.01 1 431 78 78 ASN C C 175.03 0.01 1 432 78 78 ASN CA C 53.74 0.01 1 433 78 78 ASN CB C 39.18 0.01 1 434 78 78 ASN N N 117.95 0.01 1 435 79 79 VAL H H 6.834 0.01 1 436 79 79 VAL HA H 4.136 0.01 1 437 79 79 VAL C C 174.96 0.01 1 438 79 79 VAL CA C 65.38 0.01 1 439 79 79 VAL CB C 31.06 0.01 1 440 79 79 VAL N N 120.11 0.01 1 441 80 80 GLU H H 8.144 0.01 1 442 80 80 GLU HA H 4.130 0.01 1 443 80 80 GLU C C 177.22 0.01 1 444 80 80 GLU CA C 58.18 0.01 1 445 80 80 GLU CB C 29.52 0.01 1 446 80 80 GLU N N 117.49 0.01 1 447 81 81 ASP H H 7.938 0.01 1 448 81 81 ASP HA H 4.646 0.01 1 449 81 81 ASP C C 176.04 0.01 1 450 81 81 ASP CA C 54.26 0.01 1 451 81 81 ASP CB C 40.30 0.01 1 452 81 81 ASP N N 116.51 0.01 1 453 82 82 LEU H H 8.966 0.01 1 454 82 82 LEU HA H 4.125 0.01 1 455 82 82 LEU C C 179.58 0.01 1 456 82 82 LEU CA C 56.54 0.01 1 457 82 82 LEU CB C 42.23 0.01 1 458 82 82 LEU N N 127.74 0.01 1 459 83 83 SER H H 8.528 0.01 1 460 83 83 SER HA H 4.778 0.01 1 461 83 83 SER C C 177.43 0.01 1 462 83 83 SER CA C 62.44 0.01 1 463 83 83 SER CB C 62.44 0.01 1 464 83 83 SER N N 117.29 0.01 1 465 84 84 SER H H 8.130 0.01 1 466 84 84 SER HA H 4.309 0.01 1 467 84 84 SER C C 175.43 0.01 1 468 84 84 SER CA C 60.78 0.01 1 469 84 84 SER CB C 63.03 0.01 1 470 84 84 SER N N 117.42 0.01 1 471 85 85 LEU H H 7.904 0.01 1 472 85 85 LEU HA H 4.641 0.01 1 473 85 85 LEU C C 177.05 0.01 1 474 85 85 LEU CA C 54.18 0.01 1 475 85 85 LEU CB C 43.76 0.01 1 476 85 85 LEU N N 120.69 0.01 1 477 86 86 GLU H H 7.541 0.01 1 478 86 86 GLU HA H 3.880 0.01 1 479 86 86 GLU C C 178.45 0.01 1 480 86 86 GLU CA C 61.98 0.01 1 481 86 86 GLU CB C 30.32 0.01 1 482 86 86 GLU N N 121.15 0.01 1 483 87 87 GLU H H 8.887 0.01 1 484 87 87 GLU HA H 4.187 0.01 1 485 87 87 GLU C C 179.44 0.01 1 486 87 87 GLU CA C 60.32 0.01 1 487 87 87 GLU CB C 29.02 0.01 1 488 87 87 GLU N N 120.54 0.01 1 489 88 88 TYR H H 8.554 0.01 1 490 88 88 TYR HA H 4.241 0.01 1 491 88 88 TYR C C 178.62 0.01 1 492 88 88 TYR CA C 61.07 0.01 1 493 88 88 TYR CB C 38.13 0.01 1 494 88 88 TYR N N 122.62 0.01 1 495 89 89 LEU H H 9.063 0.01 1 496 89 89 LEU HA H 4.205 0.01 1 497 89 89 LEU C C 180.21 0.01 1 498 89 89 LEU CA C 58.34 0.01 1 499 89 89 LEU CB C 41.69 0.01 1 500 89 89 LEU N N 119.54 0.01 1 501 90 90 THR H H 9.047 0.01 1 502 90 90 THR HA H 4.627 0.01 1 503 90 90 THR C C 177.37 0.01 1 504 90 90 THR CA C 68.81 0.01 1 505 90 90 THR CB C 68.81 0.01 1 506 90 90 THR N N 119.93 0.01 1 507 91 91 SER H H 8.278 0.01 1 508 91 91 SER HA H 4.493 0.01 1 509 91 91 SER C C 177.63 0.01 1 510 91 91 SER CA C 62.53 0.01 1 511 91 91 SER CB C 62.53 0.01 1 512 91 91 SER N N 118.91 0.01 1 513 92 92 LEU H H 8.938 0.01 1 514 92 92 LEU HA H 4.986 0.01 1 515 92 92 LEU C C 184.50 0.01 1 516 92 92 LEU CA C 58.37 0.01 1 517 92 92 LEU CB C 43.40 0.01 1 518 92 92 LEU N N 124.06 0.01 1 519 93 93 GLY H H 10.383 0.01 1 520 93 93 GLY HA2 H 6.514 0.01 2 521 93 93 GLY HA3 H 6.151 0.01 2 522 93 93 GLY C C 175.56 0.01 1 523 93 93 GLY CA C 50.62 0.01 1 524 93 93 GLY N N 116.88 0.01 1 525 94 94 ARG H H 9.233 0.01 1 526 94 94 ARG HA H 4.474 0.01 1 527 94 94 ARG C C 180.56 0.01 1 528 94 94 ARG CA C 60.94 0.01 1 529 94 94 ARG CB C 30.19 0.01 1 530 94 94 ARG N N 124.43 0.01 1 531 95 95 LYS H H 9.288 0.01 1 532 95 95 LYS HA H 4.668 0.01 1 533 95 95 LYS C C 180.28 0.01 1 534 95 95 LYS CA C 59.50 0.01 1 535 95 95 LYS CB C 32.59 0.01 1 536 95 95 LYS N N 119.48 0.01 1 537 96 96 HIS H H 11.230 0.01 1 538 96 96 HIS HA H 6.919 0.01 1 539 96 96 HIS C C 177.58 0.01 1 540 96 96 HIS CA C 76.26 0.01 1 541 96 96 HIS CB C 21.25 0.01 1 542 96 96 HIS N N 119.63 0.01 1 543 97 97 ARG H H 9.972 0.01 1 544 97 97 ARG HA H 4.738 0.01 1 545 97 97 ARG C C 180.95 0.01 1 546 97 97 ARG CA C 60.31 0.01 1 547 97 97 ARG CB C 29.27 0.01 1 548 97 97 ARG N N 126.56 0.01 1 549 98 98 ALA H H 8.425 0.01 1 550 98 98 ALA HA H 4.327 0.01 1 551 98 98 ALA C C 179.78 0.01 1 552 98 98 ALA CA C 55.31 0.01 1 553 98 98 ALA CB C 18.42 0.01 1 554 98 98 ALA N N 121.92 0.01 1 555 99 99 VAL H H 7.535 0.01 1 556 99 99 VAL HA H 3.927 0.01 1 557 99 99 VAL C C 175.13 0.01 1 558 99 99 VAL CA C 62.20 0.01 1 559 99 99 VAL CB C 30.70 0.01 1 560 99 99 VAL N N 112.25 0.01 1 561 100 100 GLY H H 7.466 0.01 1 562 100 100 GLY HA2 H 4.010 0.01 2 563 100 100 GLY HA3 H 3.503 0.01 2 564 100 100 GLY C C 173.98 0.01 1 565 100 100 GLY CA C 44.82 0.01 1 566 100 100 GLY N N 105.47 0.01 1 567 101 101 VAL H H 7.711 0.01 1 568 101 101 VAL HA H 3.134 0.01 1 569 101 101 VAL C C 176.39 0.01 1 570 101 101 VAL CA C 62.41 0.01 1 571 101 101 VAL CB C 31.57 0.01 1 572 101 101 VAL N N 120.50 0.01 1 573 102 102 ARG H H 9.142 0.01 1 574 102 102 ARG HA H 4.645 0.01 1 575 102 102 ARG C C 176.61 0.01 1 576 102 102 ARG CA C 55.64 0.01 1 577 102 102 ARG CB C 30.69 0.01 1 578 102 102 ARG N N 129.15 0.01 1 579 103 103 LEU H H 8.491 0.01 1 580 103 103 LEU HA H 3.703 0.01 1 581 103 103 LEU C C 180.87 0.01 1 582 103 103 LEU CA C 58.18 0.01 1 583 103 103 LEU CB C 40.76 0.01 1 584 103 103 LEU N N 125.15 0.01 1 585 104 104 SER H H 8.568 0.01 1 586 104 104 SER HA H 4.776 0.01 1 587 104 104 SER C C 177.69 0.01 1 588 104 104 SER CA C 61.02 0.01 1 589 104 104 SER CB C 61.81 0.01 1 590 104 104 SER N N 114.19 0.01 1 591 105 105 SER H H 7.641 0.01 1 592 105 105 SER HA H 4.346 0.01 1 593 105 105 SER C C 175.72 0.01 1 594 105 105 SER CA C 61.52 0.01 1 595 105 105 SER CB C 61.52 0.01 1 596 105 105 SER N N 119.79 0.01 1 597 106 106 PHE H H 8.261 0.01 1 598 106 106 PHE HA H 3.915 0.01 1 599 106 106 PHE C C 180.56 0.01 1 600 106 106 PHE CA C 62.44 0.01 1 601 106 106 PHE CB C 37.47 0.01 1 602 106 106 PHE N N 117.11 0.01 1 603 107 107 SER H H 8.273 0.01 1 604 107 107 SER HA H 4.775 0.01 1 605 107 107 SER C C 176.60 0.01 1 606 107 107 SER CA C 61.79 0.01 1 607 107 107 SER CB C 61.79 0.01 1 608 107 107 SER N N 121.91 0.01 1 609 108 108 THR H H 7.120 0.01 1 610 108 108 THR HA H 3.707 0.01 1 611 108 108 THR C C 178.48 0.01 1 612 108 108 THR CA C 64.81 0.01 1 613 108 108 THR CB C 66.62 0.01 1 614 108 108 THR N N 121.29 0.01 1 615 109 109 VAL H H 7.569 0.01 1 616 109 109 VAL HA H 2.705 0.01 1 617 109 109 VAL C C 176.62 0.01 1 618 109 109 VAL CA C 66.52 0.01 1 619 109 109 VAL CB C 30.36 0.01 1 620 109 109 VAL N N 121.94 0.01 1 621 110 110 GLY H H 7.267 0.01 1 622 110 110 GLY HA2 H 3.687 0.01 2 623 110 110 GLY HA3 H 2.471 0.01 2 624 110 110 GLY C C 175.25 0.01 1 625 110 110 GLY CA C 48.36 0.01 1 626 110 110 GLY N N 107.84 0.01 1 627 111 111 GLU H H 7.416 0.01 1 628 111 111 GLU HA H 3.915 0.01 1 629 111 111 GLU C C 180.20 0.01 1 630 111 111 GLU CA C 59.34 0.01 1 631 111 111 GLU CB C 29.33 0.01 1 632 111 111 GLU N N 119.99 0.01 1 633 112 112 SER H H 7.666 0.01 1 634 112 112 SER HA H 3.845 0.01 1 635 112 112 SER C C 174.92 0.01 1 636 112 112 SER CA C 62.50 0.01 1 637 112 112 SER CB C 62.50 0.01 1 638 112 112 SER N N 117.51 0.01 1 639 113 113 LEU H H 8.304 0.01 1 640 113 113 LEU HA H 3.700 0.01 1 641 113 113 LEU C C 177.73 0.01 1 642 113 113 LEU CA C 58.53 0.01 1 643 113 113 LEU CB C 41.65 0.01 1 644 113 113 LEU N N 125.70 0.01 1 645 114 114 LEU H H 7.795 0.01 1 646 114 114 LEU HA H 3.791 0.01 1 647 114 114 LEU C C 178.78 0.01 1 648 114 114 LEU CA C 58.43 0.01 1 649 114 114 LEU CB C 40.71 0.01 1 650 114 114 LEU N N 117.66 0.01 1 651 115 115 TYR H H 7.788 0.01 1 652 115 115 TYR HA H 4.010 0.01 1 653 115 115 TYR C C 176.37 0.01 1 654 115 115 TYR CA C 61.64 0.01 1 655 115 115 TYR CB C 38.44 0.01 1 656 115 115 TYR N N 120.62 0.01 1 657 116 116 MET H H 8.136 0.01 1 658 116 116 MET HA H 3.594 0.01 1 659 116 116 MET C C 178.83 0.01 1 660 116 116 MET CA C 59.13 0.01 1 661 116 116 MET CB C 31.93 0.01 1 662 116 116 MET N N 119.96 0.01 1 663 117 117 LEU H H 7.961 0.01 1 664 117 117 LEU HA H 3.363 0.01 1 665 117 117 LEU C C 177.42 0.01 1 666 117 117 LEU CA C 57.68 0.01 1 667 117 117 LEU CB C 41.98 0.01 1 668 117 117 LEU N N 121.81 0.01 1 669 118 118 GLU H H 7.761 0.01 1 670 118 118 GLU HA H 3.222 0.01 1 671 118 118 GLU C C 179.74 0.01 1 672 118 118 GLU CA C 59.81 0.01 1 673 118 118 GLU CB C 29.24 0.01 1 674 118 118 GLU N N 121.24 0.01 1 675 119 119 LYS H H 7.954 0.01 1 676 119 119 LYS HA H 3.817 0.01 1 677 119 119 LYS C C 178.70 0.01 1 678 119 119 LYS CA C 57.53 0.01 1 679 119 119 LYS CB C 31.49 0.01 1 680 119 119 LYS N N 118.23 0.01 1 681 120 120 SER H H 7.637 0.01 1 682 120 120 SER HA H 4.203 0.01 1 683 120 120 SER C C 176.26 0.01 1 684 120 120 SER CA C 60.46 0.01 1 685 120 120 SER CB C 63.55 0.01 1 686 120 120 SER N N 112.32 0.01 1 687 121 121 LEU H H 8.126 0.01 1 688 121 121 LEU HA H 4.380 0.01 1 689 121 121 LEU C C 179.25 0.01 1 690 121 121 LEU CA C 55.68 0.01 1 691 121 121 LEU CB C 44.12 0.01 1 692 121 121 LEU N N 118.64 0.01 1 693 122 122 GLY H H 8.101 0.01 1 694 122 122 GLY HA2 H 4.204 0.01 2 695 122 122 GLY HA3 H 3.758 0.01 2 696 122 122 GLY CA C 45.46 0.01 1 697 122 122 GLY N N 111.87 0.01 1 698 123 123 PRO HA H 4.420 0.01 1 699 123 123 PRO C C 177.26 0.01 1 700 123 123 PRO CA C 64.23 0.01 1 701 123 123 PRO CB C 32.00 0.01 1 702 124 124 ASP H H 7.591 0.01 1 703 124 124 ASP HA H 4.777 0.01 1 704 124 124 ASP C C 176.87 0.01 1 705 124 124 ASP CA C 55.57 0.01 1 706 124 124 ASP CB C 40.49 0.01 1 707 124 124 ASP N N 116.32 0.01 1 708 125 125 PHE H H 8.496 0.01 1 709 125 125 PHE HA H 4.801 0.01 1 710 125 125 PHE C C 173.79 0.01 1 711 125 125 PHE CA C 56.32 0.01 1 712 125 125 PHE CB C 36.97 0.01 1 713 125 125 PHE N N 125.72 0.01 1 714 126 126 THR H H 7.231 0.01 1 715 126 126 THR HA H 4.609 0.01 1 716 126 126 THR CA C 60.24 0.01 1 717 126 126 THR CB C 68.75 0.01 1 718 126 126 THR N N 114.26 0.01 1 719 127 127 PRO HA H 4.775 0.01 1 720 127 127 PRO C C 179.06 0.01 1 721 127 127 PRO CA C 66.41 0.01 1 722 127 127 PRO CB C 31.56 0.01 1 723 128 128 ALA H H 8.275 0.01 1 724 128 128 ALA HA H 4.119 0.01 1 725 128 128 ALA C C 180.75 0.01 1 726 128 128 ALA CA C 55.18 0.01 1 727 128 128 ALA CB C 18.61 0.01 1 728 128 128 ALA N N 118.33 0.01 1 729 129 129 THR H H 7.807 0.01 1 730 129 129 THR HA H 4.252 0.01 1 731 129 129 THR C C 175.47 0.01 1 732 129 129 THR CA C 67.82 0.01 1 733 129 129 THR CB C 68.11 0.01 1 734 129 129 THR N N 119.25 0.01 1 735 130 130 ARG H H 8.074 0.01 1 736 130 130 ARG HA H 3.676 0.01 1 737 130 130 ARG C C 178.65 0.01 1 738 130 130 ARG CA C 60.22 0.01 1 739 130 130 ARG CB C 29.74 0.01 1 740 130 130 ARG N N 123.77 0.01 1 741 131 131 THR H H 8.521 0.01 1 742 131 131 THR HA H 3.862 0.01 1 743 131 131 THR C C 176.21 0.01 1 744 131 131 THR CA C 66.91 0.01 1 745 131 131 THR CB C 68.83 0.01 1 746 131 131 THR N N 117.37 0.01 1 747 132 132 ALA H H 7.925 0.01 1 748 132 132 ALA HA H 4.026 0.01 1 749 132 132 ALA C C 179.94 0.01 1 750 132 132 ALA CA C 55.81 0.01 1 751 132 132 ALA CB C 18.15 0.01 1 752 132 132 ALA N N 124.43 0.01 1 753 133 133 TRP H H 8.373 0.01 1 754 133 133 TRP HA H 4.055 0.01 1 755 133 133 TRP C C 178.95 0.01 1 756 133 133 TRP CA C 62.18 0.01 1 757 133 133 TRP CB C 29.56 0.01 1 758 133 133 TRP N N 118.64 0.01 1 759 134 134 SER H H 8.752 0.01 1 760 134 134 SER HA H 4.401 0.01 1 761 134 134 SER C C 177.98 0.01 1 762 134 134 SER CA C 62.78 0.01 1 763 134 134 SER CB C 62.78 0.01 1 764 134 134 SER N N 115.74 0.01 1 765 135 135 ARG H H 8.153 0.01 1 766 135 135 ARG HA H 4.418 0.01 1 767 135 135 ARG C C 175.23 0.01 1 768 135 135 ARG CA C 58.01 0.01 1 769 135 135 ARG CB C 39.84 0.01 1 770 135 135 ARG N N 123.54 0.01 1 771 136 136 LEU H H 8.196 0.01 1 772 136 136 LEU HA H 4.113 0.01 1 773 136 136 LEU C C 178.19 0.01 1 774 136 136 LEU CA C 58.40 0.01 1 775 136 136 LEU CB C 41.72 0.01 1 776 136 136 LEU N N 122.62 0.01 1 777 137 137 TYR H H 9.325 0.01 1 778 137 137 TYR HA H 3.945 0.01 1 779 137 137 TYR C C 177.28 0.01 1 780 137 137 TYR CA C 63.37 0.01 1 781 137 137 TYR CB C 38.52 0.01 1 782 137 137 TYR N N 118.94 0.01 1 783 138 138 GLY H H 8.345 0.01 1 784 138 138 GLY HA2 H 4.010 0.01 2 785 138 138 GLY HA3 H 3.817 0.01 2 786 138 138 GLY C C 176.26 0.01 1 787 138 138 GLY CA C 47.37 0.01 1 788 138 138 GLY N N 104.94 0.01 1 789 139 139 ALA H H 7.838 0.01 1 790 139 139 ALA HA H 4.295 0.01 1 791 139 139 ALA C C 181.00 0.01 1 792 139 139 ALA CA C 55.40 0.01 1 793 139 139 ALA CB C 18.34 0.01 1 794 139 139 ALA N N 125.57 0.01 1 795 140 140 VAL H H 8.094 0.01 1 796 140 140 VAL HA H 3.700 0.01 1 797 140 140 VAL C C 178.38 0.01 1 798 140 140 VAL CA C 66.81 0.01 1 799 140 140 VAL CB C 31.50 0.01 1 800 140 140 VAL N N 122.33 0.01 1 801 141 141 VAL H H 8.624 0.01 1 802 141 141 VAL HA H 3.814 0.01 1 803 141 141 VAL C C 178.77 0.01 1 804 141 141 VAL CA C 66.91 0.01 1 805 141 141 VAL CB C 31.34 0.01 1 806 141 141 VAL N N 120.04 0.01 1 807 142 142 GLN H H 8.561 0.01 1 808 142 142 GLN HA H 4.163 0.01 1 809 142 142 GLN C C 179.69 0.01 1 810 142 142 GLN CA C 59.73 0.01 1 811 142 142 GLN CB C 28.42 0.01 1 812 142 142 GLN N N 122.16 0.01 1 813 143 143 ALA H H 7.676 0.01 1 814 143 143 ALA HA H 4.482 0.01 1 815 143 143 ALA C C 180.65 0.01 1 816 143 143 ALA CA C 55.60 0.01 1 817 143 143 ALA CB C 19.63 0.01 1 818 143 143 ALA N N 121.68 0.01 1 819 144 144 MET H H 8.837 0.01 1 820 144 144 MET HA H 5.067 0.01 1 821 144 144 MET C C 180.92 0.01 1 822 144 144 MET CA C 60.30 0.01 1 823 144 144 MET CB C 34.97 0.01 1 824 144 144 MET N N 116.94 0.01 1 825 145 145 SER H H 9.520 0.01 1 826 145 145 SER HA H 4.981 0.01 1 827 145 145 SER C C 177.05 0.01 1 828 145 145 SER CA C 62.84 0.01 1 829 145 145 SER CB C 63.40 0.01 1 830 145 145 SER N N 114.51 0.01 1 831 146 146 ARG H H 7.886 0.01 1 832 146 146 ARG HA H 4.702 0.01 1 833 146 146 ARG C C 179.57 0.01 1 834 146 146 ARG CA C 58.84 0.01 1 835 146 146 ARG CB C 30.41 0.01 1 836 146 146 ARG N N 124.16 0.01 1 837 147 147 GLY H H 9.570 0.01 1 838 147 147 GLY HA2 H 4.555 0.01 2 839 147 147 GLY HA3 H 4.411 0.01 2 840 147 147 GLY C C 173.85 0.01 1 841 147 147 GLY CA C 47.09 0.01 1 842 147 147 GLY N N 107.26 0.01 1 843 148 148 TRP H H 8.592 0.01 1 844 148 148 TRP HA H 4.904 0.01 1 845 148 148 TRP C C 176.10 0.01 1 846 148 148 TRP CA C 60.66 0.01 1 847 148 148 TRP CB C 30.86 0.01 1 848 148 148 TRP N N 121.50 0.01 1 849 149 149 ASP H H 7.901 0.01 1 850 149 149 ASP HA H 4.963 0.01 1 851 149 149 ASP C C 176.95 0.01 1 852 149 149 ASP CA C 55.29 0.01 1 853 149 149 ASP CB C 41.74 0.01 1 854 149 149 ASP N N 120.43 0.01 1 855 150 150 GLY H H 8.571 0.01 1 856 150 150 GLY HA2 H 4.255 0.01 2 857 150 150 GLY HA3 H 4.064 0.01 2 858 150 150 GLY C C 173.72 0.01 1 859 150 150 GLY CA C 45.62 0.01 1 860 150 150 GLY N N 109.65 0.01 1 861 151 151 GLU H H 8.212 0.01 1 862 151 151 GLU HA H 4.256 0.01 1 863 151 151 GLU CA C 58.50 0.01 1 864 151 151 GLU CB C 31.29 0.01 1 865 151 151 GLU N N 126.23 0.01 1 stop_ save_