data_16446 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments for Ncs1p ; _BMRB_accession_number 16446 _BMRB_flat_file_name bmr16446.str _Entry_type original _Submission_date 2009-08-10 _Accession_date 2009-08-10 _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 Ames James . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 866 "13C chemical shifts" 600 "15N chemical shifts" 184 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-19 original author . stop_ _Original_release_date 2009-11-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (15)N, and (13)C chemical shift assignments of neuronal calcium sensor-1 homolog from fission yeast.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19851889 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lim Sunghyuk . . 2 Ames James B. . stop_ _Journal_abbreviation 'Biomol NMR Assign' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 3 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 269 _Page_last 271 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name monomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subunit 1' $Ncs1p 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_Ncs1p _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ncs1p _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 190 _Mol_residue_sequence ; MGKSQSKLSQDQLQDLVRST RFDKKELQQWYKGFFKDCPS GHLNKSEFQKIYKQFFPFGD PSAFAEYVFNVFDADKNGYI DFKEFICALSVTSRGELNDK LIWAFQLYDLDNNGLISYDE MLRIVDAIYKMVGSMVKLPE DEDTPEKRVNKIFNMMDKNK DGQLTLEEFCEGSKRDPTIV SALSLYDGLV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 LYS 4 SER 5 GLN 6 SER 7 LYS 8 LEU 9 SER 10 GLN 11 ASP 12 GLN 13 LEU 14 GLN 15 ASP 16 LEU 17 VAL 18 ARG 19 SER 20 THR 21 ARG 22 PHE 23 ASP 24 LYS 25 LYS 26 GLU 27 LEU 28 GLN 29 GLN 30 TRP 31 TYR 32 LYS 33 GLY 34 PHE 35 PHE 36 LYS 37 ASP 38 CYS 39 PRO 40 SER 41 GLY 42 HIS 43 LEU 44 ASN 45 LYS 46 SER 47 GLU 48 PHE 49 GLN 50 LYS 51 ILE 52 TYR 53 LYS 54 GLN 55 PHE 56 PHE 57 PRO 58 PHE 59 GLY 60 ASP 61 PRO 62 SER 63 ALA 64 PHE 65 ALA 66 GLU 67 TYR 68 VAL 69 PHE 70 ASN 71 VAL 72 PHE 73 ASP 74 ALA 75 ASP 76 LYS 77 ASN 78 GLY 79 TYR 80 ILE 81 ASP 82 PHE 83 LYS 84 GLU 85 PHE 86 ILE 87 CYS 88 ALA 89 LEU 90 SER 91 VAL 92 THR 93 SER 94 ARG 95 GLY 96 GLU 97 LEU 98 ASN 99 ASP 100 LYS 101 LEU 102 ILE 103 TRP 104 ALA 105 PHE 106 GLN 107 LEU 108 TYR 109 ASP 110 LEU 111 ASP 112 ASN 113 ASN 114 GLY 115 LEU 116 ILE 117 SER 118 TYR 119 ASP 120 GLU 121 MET 122 LEU 123 ARG 124 ILE 125 VAL 126 ASP 127 ALA 128 ILE 129 TYR 130 LYS 131 MET 132 VAL 133 GLY 134 SER 135 MET 136 VAL 137 LYS 138 LEU 139 PRO 140 GLU 141 ASP 142 GLU 143 ASP 144 THR 145 PRO 146 GLU 147 LYS 148 ARG 149 VAL 150 ASN 151 LYS 152 ILE 153 PHE 154 ASN 155 MET 156 MET 157 ASP 158 LYS 159 ASN 160 LYS 161 ASP 162 GLY 163 GLN 164 LEU 165 THR 166 LEU 167 GLU 168 GLU 169 PHE 170 CYS 171 GLU 172 GLY 173 SER 174 LYS 175 ARG 176 ASP 177 PRO 178 THR 179 ILE 180 VAL 181 SER 182 ALA 183 LEU 184 SER 185 LEU 186 TYR 187 ASP 188 GLY 189 LEU 190 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2L2E "Solution Nmr Structure Of Myristoylated Ncs1p In Apo Form" 99.47 190 100.00 100.00 4.86e-135 EMBL CAA90589 "related to neuronal calcium sensor Ncs1 [Schizosaccharomyces pombe]" 100.00 190 100.00 100.00 6.42e-136 GB AAP48992 "neuronal calcium sensor protein-like protein [Schizosaccharomyces pombe]" 100.00 190 100.00 100.00 6.42e-136 REF NP_592879 "calcium-binding protein [Schizosaccharomyces pombe 972h-]" 100.00 190 100.00 100.00 6.42e-136 SP Q09711 "RecName: Full=Calcium-binding protein NCS-1" 100.00 190 100.00 100.00 6.42e-136 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ncs1p 'Fission Yeast' 4896 Eukaryota Fungi Schizosaccharomyces pombe 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 $Ncs1p 'recombinant technology' 'E. coli' Escherichia coli . pET11a 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 $Ncs1p 1.0 mM '[U-95% 13C; U-95% 15N]' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 'ionic strength' 0.02 . M pH 7.0 . pH pressure 1 . atm temperature 310 . 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 . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HBHA(CO)NH' '3D CBCA(CO)NH' 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 'subunit 1' _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 GLY H H 7.967 0.05 1 2 2 2 GLY HA2 H 3.820 0.05 2 3 2 2 GLY HA3 H 3.820 0.05 2 4 2 2 GLY C C 174.800 0.1 1 5 2 2 GLY CA C 45.770 0.1 1 6 2 2 GLY N N 111.907 0.1 1 7 3 3 LYS H H 8.383 0.05 1 8 3 3 LYS N N 120.523 0.1 1 9 4 4 SER HA H 4.287 0.05 1 10 4 4 SER HB2 H 3.774 0.05 2 11 4 4 SER HB3 H 3.774 0.05 2 12 4 4 SER C C 174.150 0.1 1 13 4 4 SER CA C 59.793 0.1 1 14 4 4 SER CB C 63.524 0.1 1 15 5 5 GLN H H 8.087 0.05 1 16 5 5 GLN HA H 4.360 0.05 1 17 5 5 GLN HB2 H 2.136 0.05 2 18 5 5 GLN HB3 H 1.923 0.05 2 19 5 5 GLN C C 175.500 0.1 1 20 5 5 GLN CA C 55.300 0.1 1 21 5 5 GLN CB C 29.800 0.1 1 22 5 5 GLN N N 120.191 0.1 1 23 6 6 SER H H 8.073 0.05 1 24 6 6 SER HA H 4.455 0.05 1 25 6 6 SER HB2 H 3.936 0.05 2 26 6 6 SER HB3 H 3.936 0.05 2 27 6 6 SER C C 176.100 0.05 1 28 6 6 SER CA C 59.034 0.1 1 29 6 6 SER CB C 64.084 0.1 1 30 6 6 SER N N 115.673 0.1 1 31 7 7 LYS H H 8.731 0.05 1 32 7 7 LYS HA H 4.287 0.05 1 33 7 7 LYS HB2 H 1.746 0.05 2 34 7 7 LYS HB3 H 1.398 0.05 2 35 7 7 LYS C C 175.500 0.1 1 36 7 7 LYS CA C 57.178 0.1 1 37 7 7 LYS CB C 33.652 0.1 1 38 7 7 LYS N N 125.133 0.1 1 39 8 8 LEU H H 7.786 0.05 1 40 8 8 LEU HA H 4.736 0.05 1 41 8 8 LEU HB2 H 1.588 0.05 2 42 8 8 LEU HB3 H 1.477 0.05 2 43 8 8 LEU HD1 H 0.872 0.05 1 44 8 8 LEU HD2 H 0.806 0.05 1 45 8 8 LEU HG H 1.774 0.05 1 46 8 8 LEU C C 177.236 0.1 1 47 8 8 LEU CA C 55.350 0.1 1 48 8 8 LEU CB C 44.070 0.1 1 49 8 8 LEU N N 119.481 0.1 1 50 9 9 SER H H 9.040 0.05 1 51 9 9 SER HA H 4.457 0.05 1 52 9 9 SER HB2 H 3.940 0.05 2 53 9 9 SER HB3 H 3.940 0.05 2 54 9 9 SER C C 174.500 0.1 1 55 9 9 SER CA C 57.186 0.1 1 56 9 9 SER CB C 64.999 0.1 1 57 9 9 SER N N 119.249 0.1 1 58 10 10 GLN H H 8.982 0.05 1 59 10 10 GLN HA H 3.980 0.05 1 60 10 10 GLN HB2 H 2.071 0.05 1 61 10 10 GLN HB3 H 2.071 0.05 1 62 10 10 GLN C C 178.300 0.1 1 63 10 10 GLN CA C 59.944 0.1 1 64 10 10 GLN CB C 28.184 0.1 1 65 10 10 GLN N N 120.913 0.1 1 66 11 11 ASP H H 8.351 0.05 1 67 11 11 ASP HA H 4.320 0.05 1 68 11 11 ASP HB2 H 2.633 0.05 2 69 11 11 ASP HB3 H 2.462 0.05 2 70 11 11 ASP C C 178.800 0.1 1 71 11 11 ASP CA C 57.231 0.1 1 72 11 11 ASP CB C 40.330 0.1 1 73 11 11 ASP N N 117.678 0.1 1 74 12 12 GLN H H 7.650 0.05 1 75 12 12 GLN HA H 4.079 0.05 1 76 12 12 GLN HB2 H 2.368 0.05 2 77 12 12 GLN HB3 H 1.910 0.05 2 78 12 12 GLN C C 179.800 0.1 1 79 12 12 GLN CA C 58.644 0.1 1 80 12 12 GLN CB C 29.757 0.1 1 81 12 12 GLN N N 120.089 0.1 1 82 13 13 LEU H H 8.712 0.05 1 83 13 13 LEU HA H 3.990 0.05 1 84 13 13 LEU HB2 H 1.696 0.05 2 85 13 13 LEU HB3 H 1.575 0.05 2 86 13 13 LEU C C 178.534 0.1 1 87 13 13 LEU CA C 58.290 0.1 1 88 13 13 LEU CB C 41.550 0.1 1 89 13 13 LEU N N 123.018 0.1 1 90 14 14 GLN H H 8.077 0.05 1 91 14 14 GLN HA H 3.907 0.05 1 92 14 14 GLN HB2 H 2.156 0.05 2 93 14 14 GLN HB3 H 2.156 0.05 2 94 14 14 GLN C C 179.100 0.1 1 95 14 14 GLN CA C 58.954 0.1 1 96 14 14 GLN CB C 27.894 0.1 1 97 14 14 GLN N N 117.856 0.1 1 98 15 15 ASP H H 7.906 0.05 1 99 15 15 ASP HA H 4.386 0.05 1 100 15 15 ASP HB2 H 2.693 0.05 2 101 15 15 ASP HB3 H 2.693 0.05 2 102 15 15 ASP C C 178.800 0.1 1 103 15 15 ASP CA C 57.300 0.1 1 104 15 15 ASP CB C 41.037 0.1 1 105 15 15 ASP N N 120.089 0.1 1 106 16 16 LEU H H 8.135 0.05 1 107 16 16 LEU HA H 3.966 0.05 1 108 16 16 LEU HB2 H 1.938 0.05 2 109 16 16 LEU HB3 H 1.587 0.05 2 110 16 16 LEU HD1 H 0.807 0.05 1 111 16 16 LEU HD2 H 0.807 0.05 1 112 16 16 LEU C C 179.300 0.1 1 113 16 16 LEU CA C 58.693 0.1 1 114 16 16 LEU CB C 41.910 0.1 1 115 16 16 LEU CD1 C 23.858 0.1 1 116 16 16 LEU CD2 C 23.858 0.1 1 117 16 16 LEU N N 124.788 0.1 1 118 17 17 VAL H H 8.168 0.05 1 119 17 17 VAL HA H 3.409 0.05 1 120 17 17 VAL HB H 2.050 0.05 1 121 17 17 VAL HG1 H 0.817 0.05 1 122 17 17 VAL HG2 H 0.817 0.05 1 123 17 17 VAL C C 179.200 0.1 1 124 17 17 VAL CA C 66.830 0.1 1 125 17 17 VAL CB C 31.640 0.1 1 126 17 17 VAL CG1 C 22.54 0.1 1 127 17 17 VAL CG2 C 20.99 0.1 1 128 17 17 VAL N N 119.704 0.1 1 129 18 18 ARG H H 7.949 0.05 1 130 18 18 ARG HA H 3.896 0.05 1 131 18 18 ARG HB2 H 1.872 0.05 2 132 18 18 ARG HB3 H 1.872 0.05 2 133 18 18 ARG C C 178.900 0.1 1 134 18 18 ARG CA C 60.270 0.1 1 135 18 18 ARG CB C 30.170 0.1 1 136 18 18 ARG N N 120.011 0.1 1 137 19 19 SER H H 8.277 0.05 1 138 19 19 SER HA H 3.891 0.05 1 139 19 19 SER HB2 H 3.516 0.05 2 140 19 19 SER HB3 H 2.892 0.05 2 141 19 19 SER C C 173.900 0.1 1 142 19 19 SER CA C 60.770 0.1 1 143 19 19 SER CB C 63.190 0.1 1 144 19 19 SER N N 112.811 0.1 1 145 20 20 THR H H 7.477 0.05 1 146 20 20 THR HA H 4.704 0.05 1 147 20 20 THR HB H 4.745 0.05 1 148 20 20 THR HG2 H 1.222 0.05 1 149 20 20 THR C C 173.600 0.1 1 150 20 20 THR CA C 60.880 0.1 1 151 20 20 THR CB C 69.010 0.1 1 152 20 20 THR N N 106.683 0.1 1 153 21 21 ARG H H 7.004 0.05 1 154 21 21 ARG HA H 4.474 0.05 1 155 21 21 ARG HB2 H 1.984 0.05 2 156 21 21 ARG HB3 H 1.984 0.05 2 157 21 21 ARG C C 174.900 0.1 1 158 21 21 ARG CA C 57.110 0.1 1 159 21 21 ARG CB C 30.780 0.1 1 160 21 21 ARG N N 122.601 0.1 1 161 22 22 PHE H H 7.540 0.05 1 162 22 22 PHE HA H 4.808 0.05 1 163 22 22 PHE HB2 H 2.088 0.05 2 164 22 22 PHE HB3 H 2.088 0.05 2 165 22 22 PHE HD1 H 7.097 0.05 3 166 22 22 PHE HD2 H 7.097 0.05 3 167 22 22 PHE C C 173.200 0.1 1 168 22 22 PHE CA C 55.130 0.1 1 169 22 22 PHE CB C 41.133 0.1 1 170 22 22 PHE N N 119.381 0.1 1 171 23 23 ASP H H 9.168 0.05 1 172 23 23 ASP HA H 4.514 0.05 1 173 23 23 ASP HB2 H 2.982 0.05 2 174 23 23 ASP HB3 H 2.415 0.05 2 175 23 23 ASP C C 175.500 0.1 1 176 23 23 ASP CA C 53.166 0.1 1 177 23 23 ASP CB C 41.609 0.1 1 178 23 23 ASP N N 122.570 0.1 1 179 24 24 LYS H H 8.079 0.05 1 180 24 24 LYS HA H 3.924 0.05 1 181 24 24 LYS HB2 H 1.566 0.05 2 182 24 24 LYS HB3 H 1.566 0.05 2 183 24 24 LYS C C 177.600 0.1 1 184 24 24 LYS CA C 60.450 0.1 1 185 24 24 LYS CB C 32.780 0.1 1 186 24 24 LYS N N 127.093 0.1 1 187 25 25 LYS H H 7.974 0.05 1 188 25 25 LYS HA H 4.089 0.05 1 189 25 25 LYS HB2 H 1.872 0.05 2 190 25 25 LYS HB3 H 1.872 0.05 2 191 25 25 LYS C C 179.637 0.1 1 192 25 25 LYS CA C 59.570 0.1 1 193 25 25 LYS CB C 31.940 0.1 1 194 25 25 LYS N N 118.303 0.1 1 195 26 26 GLU H H 8.119 0.05 1 196 26 26 GLU HA H 4.067 0.05 1 197 26 26 GLU HB2 H 2.252 0.05 2 198 26 26 GLU HB3 H 2.142 0.05 2 199 26 26 GLU C C 179.800 0.1 1 200 26 26 GLU CA C 59.212 0.1 1 201 26 26 GLU CB C 29.676 0.1 1 202 26 26 GLU N N 119.261 0.1 1 203 27 27 LEU H H 8.269 0.05 1 204 27 27 LEU HA H 3.669 0.05 1 205 27 27 LEU HB2 H 2.021 0.05 2 206 27 27 LEU HB3 H 1.340 0.05 2 207 27 27 LEU HD1 H 0.688 0.05 1 208 27 27 LEU HD2 H 0.451 0.05 1 209 27 27 LEU HG H 1.716 0.05 1 210 27 27 LEU C C 178.100 0.1 1 211 27 27 LEU CA C 58.288 0.1 1 212 27 27 LEU CB C 41.997 0.1 1 213 27 27 LEU CD1 C 27.064 0.1 2 214 27 27 LEU CD2 C 23.052 0.1 2 215 27 27 LEU N N 120.357 0.1 1 216 28 28 GLN H H 8.526 0.05 1 217 28 28 GLN HA H 3.317 0.05 1 218 28 28 GLN HB2 H 2.082 0.05 2 219 28 28 GLN HB3 H 2.082 0.05 2 220 28 28 GLN C C 177.100 0.1 1 221 28 28 GLN CA C 58.730 0.05 1 222 28 28 GLN CB C 28.860 0.05 1 223 28 28 GLN N N 118.208 0.05 1 224 29 29 GLN H H 7.642 0.05 1 225 29 29 GLN HA H 3.877 0.05 1 226 29 29 GLN HB2 H 2.154 0.05 2 227 29 29 GLN HB3 H 2.154 0.05 2 228 29 29 GLN C C 178.200 0.1 1 229 29 29 GLN CA C 58.420 0.1 1 230 29 29 GLN CB C 28.400 0.1 1 231 29 29 GLN N N 115.921 0.1 1 232 30 30 TRP H H 7.679 0.05 1 233 30 30 TRP HA H 4.212 0.05 1 234 30 30 TRP HB2 H 3.396 0.05 2 235 30 30 TRP HB3 H 3.227 0.05 2 236 30 30 TRP HD1 H 7.374 0.05 1 237 30 30 TRP HE1 H 10.06 0.05 1 238 30 30 TRP C C 179.500 0.1 1 239 30 30 TRP CA C 61.408 0.1 1 240 30 30 TRP CB C 29.823 0.1 1 241 30 30 TRP N N 119.029 0.1 1 242 30 30 TRP NE1 N 128.9 0.1 1 243 31 31 TYR H H 9.276 0.05 1 244 31 31 TYR HA H 3.732 0.05 1 245 31 31 TYR HB2 H 3.321 0.05 2 246 31 31 TYR HB3 H 2.820 0.05 2 247 31 31 TYR HD1 H 6.857 0.05 3 248 31 31 TYR HD2 H 6.857 0.05 3 249 31 31 TYR HE1 H 6.381 0.05 3 250 31 31 TYR HE2 H 6.381 0.05 3 251 31 31 TYR C C 176.700 0.1 1 252 31 31 TYR CA C 60.150 0.1 1 253 31 31 TYR CB C 35.907 0.1 1 254 31 31 TYR N N 118.903 0.1 1 255 32 32 LYS H H 7.451 0.05 1 256 32 32 LYS HA H 3.964 0.05 1 257 32 32 LYS HB2 H 1.717 0.05 2 258 32 32 LYS HB3 H 1.717 0.05 2 259 32 32 LYS C C 179.000 0.1 1 260 32 32 LYS CA C 60.380 0.1 1 261 32 32 LYS CB C 31.800 0.1 1 262 32 32 LYS N N 122.695 0.1 1 263 33 33 GLY H H 7.171 0.05 1 264 33 33 GLY HA2 H 3.731 0.05 2 265 33 33 GLY HA3 H 3.731 0.05 2 266 33 33 GLY C C 175.649 0.1 1 267 33 33 GLY CA C 46.310 0.1 1 268 33 33 GLY N N 105.102 0.1 1 269 34 34 PHE H H 7.140 0.05 1 270 34 34 PHE HA H 3.856 0.05 1 271 34 34 PHE HB2 H 1.659 0.05 2 272 34 34 PHE HB3 H 1.329 0.05 2 273 34 34 PHE HD1 H 6.279 0.05 3 274 34 34 PHE HD2 H 6.279 0.05 3 275 34 34 PHE C C 177.000 0.1 1 276 34 34 PHE CA C 60.720 0.1 1 277 34 34 PHE CB C 38.823 0.1 1 278 34 34 PHE N N 123.404 0.1 1 279 35 35 PHE H H 8.044 0.05 1 280 35 35 PHE HA H 4.007 0.05 1 281 35 35 PHE HB2 H 3.229 0.05 2 282 35 35 PHE HB3 H 2.649 0.05 2 283 35 35 PHE HD1 H 7.258 0.05 3 284 35 35 PHE HD2 H 7.258 0.05 3 285 35 35 PHE C C 177.300 0.1 1 286 35 35 PHE CA C 59.556 0.1 1 287 35 35 PHE CB C 38.255 0.1 1 288 35 35 PHE N N 114.019 0.1 1 289 36 36 LYS H H 6.927 0.05 1 290 36 36 LYS HA H 3.978 0.05 1 291 36 36 LYS HB2 H 1.8 0.05 2 292 36 36 LYS HB3 H 1.8 0.05 2 293 36 36 LYS C C 177.500 0.1 1 294 36 36 LYS CA C 58.580 0.1 1 295 36 36 LYS CB C 31.850 0.1 1 296 36 36 LYS N N 117.989 0.1 1 297 37 37 ASP H H 7.006 0.05 1 298 37 37 ASP HA H 4.410 0.05 1 299 37 37 ASP HB2 H 2.441 0.05 2 300 37 37 ASP HB3 H 2.441 0.05 2 301 37 37 ASP C C 177.500 0.1 1 302 37 37 ASP CA C 55.770 0.05 1 303 37 37 ASP CB C 41.410 0.05 1 304 37 37 ASP N N 117.613 0.1 1 305 38 38 CYS H H 8.042 0.05 1 306 38 38 CYS HA H 4.529 0.05 1 307 38 38 CYS HB2 H 1.977 0.05 2 308 38 38 CYS HB3 H 1.849 0.05 2 309 38 38 CYS CB C 25.890 0.1 1 310 38 38 CYS N N 120.512 0.1 1 311 39 39 PRO HA H 4.492 0.05 1 312 39 39 PRO HB2 H 2.198 0.05 2 313 39 39 PRO HB3 H 1.800 0.05 2 314 39 39 PRO C C 179.100 0.1 1 315 39 39 PRO CA C 64.730 0.1 1 316 39 39 PRO CB C 31.590 0.1 1 317 40 40 SER H H 8.189 0.05 1 318 40 40 SER HA H 3.957 0.05 1 319 40 40 SER HB2 H 3.529 0.05 2 320 40 40 SER HB3 H 2.890 0.05 2 321 40 40 SER C C 176.200 0.1 1 322 40 40 SER CA C 59.620 0.1 1 323 40 40 SER CB C 62.810 0.1 1 324 40 40 SER N N 111.592 0.1 1 325 41 41 GLY H H 8.027 0.05 1 326 41 41 GLY HA2 H 4.544 0.05 2 327 41 41 GLY HA3 H 3.928 0.05 2 328 41 41 GLY C C 173.600 0.1 1 329 41 41 GLY CA C 46.670 0.1 1 330 41 41 GLY N N 109.407 0.1 1 331 42 42 HIS H H 7.698 0.05 1 332 42 42 HIS HA H 5.546 0.05 1 333 42 42 HIS HB2 H 2.815 0.05 2 334 42 42 HIS HB3 H 2.406 0.05 2 335 42 42 HIS HD2 H 6.606 0.05 1 336 42 42 HIS C C 175.000 0.1 1 337 42 42 HIS CA C 54.613 0.1 1 338 42 42 HIS CB C 29.973 0.1 1 339 42 42 HIS N N 118.823 0.1 1 340 43 43 LEU H H 8.833 0.05 1 341 43 43 LEU HA H 5.041 0.05 1 342 43 43 LEU HB2 H 1.731 0.05 2 343 43 43 LEU HB3 H 1.731 0.05 2 344 43 43 LEU HD1 H 0.852 0.05 1 345 43 43 LEU HD2 H 0.494 0.05 1 346 43 43 LEU HG H 1.827 0.05 1 347 43 43 LEU CA C 53.700 0.1 1 348 43 43 LEU CB C 47.590 0.1 1 349 43 43 LEU CD1 C 24.66 0.1 2 350 43 43 LEU CD2 C 27.90 0.1 2 351 43 43 LEU N N 121.704 0.1 1 352 44 44 ASN H H 8.889 0.05 1 353 44 44 ASN HA H 5.264 0.05 1 354 44 44 ASN HB2 H 3.404 0.05 2 355 44 44 ASN HB3 H 2.947 0.05 2 356 44 44 ASN C C 175.451 0.1 1 357 44 44 ASN CA C 51.490 0.1 1 358 44 44 ASN CB C 38.350 0.1 1 359 44 44 ASN N N 120.095 0.1 1 360 45 45 LYS H H 8.316 0.05 1 361 45 45 LYS HA H 3.413 0.05 1 362 45 45 LYS HB2 H 1.233 0.05 2 363 45 45 LYS HB3 H 0.704 0.05 2 364 45 45 LYS C C 178.400 0.1 1 365 45 45 LYS CA C 61.330 0.1 1 366 45 45 LYS CB C 31.910 0.1 1 367 45 45 LYS N N 118.787 0.1 1 368 46 46 SER H H 7.999 0.05 1 369 46 46 SER HA H 4.083 0.05 1 370 46 46 SER HB2 H 3.830 0.05 2 371 46 46 SER HB3 H 3.830 0.05 2 372 46 46 SER C C 177.800 0.1 1 373 46 46 SER CA C 61.540 0.1 1 374 46 46 SER CB C 62.460 0.1 1 375 46 46 SER N N 115.094 0.1 1 376 47 47 GLU H H 8.695 0.05 1 377 47 47 GLU HA H 3.982 0.05 1 378 47 47 GLU HB2 H 2.168 0.05 2 379 47 47 GLU HB3 H 1.996 0.05 2 380 47 47 GLU C C 179.550 0.1 1 381 47 47 GLU CA C 58.790 0.1 1 382 47 47 GLU CB C 30.480 0.1 1 383 47 47 GLU N N 122.891 0.1 1 384 48 48 PHE H H 9.027 0.05 1 385 48 48 PHE HA H 3.843 0.05 1 386 48 48 PHE HB2 H 3.304 0.05 2 387 48 48 PHE HB3 H 3.087 0.05 2 388 48 48 PHE HD1 H 6.906 0.05 3 389 48 48 PHE HD2 H 6.906 0.05 3 390 48 48 PHE C C 176.200 0.1 1 391 48 48 PHE CA C 62.350 0.1 1 392 48 48 PHE CB C 39.281 0.1 1 393 48 48 PHE N N 118.515 0.1 1 394 49 49 GLN H H 8.270 0.05 1 395 49 49 GLN HA H 3.580 0.05 1 396 49 49 GLN HB2 H 2.170 0.05 2 397 49 49 GLN HB3 H 1.989 0.05 2 398 49 49 GLN C C 177.400 0.1 1 399 49 49 GLN CA C 60.620 0.1 1 400 49 49 GLN CB C 28.980 0.1 1 401 49 49 GLN N N 117.087 0.1 1 402 50 50 LYS H H 7.207 0.05 1 403 50 50 LYS HA H 3.842 0.05 1 404 50 50 LYS HB2 H 1.845 0.05 2 405 50 50 LYS HB3 H 1.845 0.05 2 406 50 50 LYS C C 178.757 0.1 1 407 50 50 LYS CA C 59.650 0.1 1 408 50 50 LYS CB C 32.780 0.1 1 409 50 50 LYS N N 117.793 0.1 1 410 51 51 ILE H H 7.300 0.05 1 411 51 51 ILE HA H 3.411 0.05 1 412 51 51 ILE HB H 1.274 0.05 1 413 51 51 ILE HD1 H 0.422 0.05 1 414 51 51 ILE HG12 H 0.924 0.05 2 415 51 51 ILE HG13 H 0.924 0.05 2 416 51 51 ILE HG2 H 0.278 0.05 1 417 51 51 ILE C C 177.200 0.1 1 418 51 51 ILE CA C 63.700 0.1 1 419 51 51 ILE CB C 38.360 0.1 1 420 51 51 ILE N N 120.618 0.1 1 421 52 52 TYR H H 8.843 0.05 1 422 52 52 TYR HA H 3.784 0.05 1 423 52 52 TYR HB2 H 2.481 0.05 2 424 52 52 TYR HB3 H 1.849 0.05 2 425 52 52 TYR HD1 H 6.299 0.05 3 426 52 52 TYR HD2 H 6.299 0.05 3 427 52 52 TYR HE1 H 6.015 0.05 3 428 52 52 TYR HE2 H 6.015 0.05 3 429 52 52 TYR C C 176.600 0.1 1 430 52 52 TYR CA C 61.700 0.1 1 431 52 52 TYR CB C 39.019 0.1 1 432 52 52 TYR N N 120.895 0.1 1 433 53 53 LYS H H 7.637 0.05 1 434 53 53 LYS HA H 3.878 0.05 1 435 53 53 LYS HB2 H 1.738 0.05 2 436 53 53 LYS HB3 H 1.738 0.05 2 437 53 53 LYS C C 177.100 0.1 1 438 53 53 LYS CA C 58.010 0.1 1 439 53 53 LYS CB C 32.700 0.1 1 440 53 53 LYS N N 115.093 0.1 1 441 54 54 GLN H H 6.914 0.05 1 442 54 54 GLN HA H 3.581 0.05 1 443 54 54 GLN HB2 H 1.486 0.05 2 444 54 54 GLN HB3 H 1.195 0.05 2 445 54 54 GLN C C 177.068 0.1 1 446 54 54 GLN CA C 57.786 0.1 1 447 54 54 GLN CB C 28.080 0.1 1 448 54 54 GLN N N 114.815 0.1 1 449 55 55 PHE H H 6.864 0.05 1 450 55 55 PHE HA H 4.451 0.05 1 451 55 55 PHE HB2 H 2.874 0.05 2 452 55 55 PHE HB3 H 2.360 0.05 2 453 55 55 PHE HD1 H 6.948 0.05 3 454 55 55 PHE HD2 H 6.948 0.05 3 455 55 55 PHE C C 173.600 0.1 1 456 55 55 PHE CA C 59.050 0.1 1 457 55 55 PHE CB C 42.381 0.1 1 458 55 55 PHE N N 112.868 0.1 1 459 56 56 PHE H H 7.952 0.05 1 460 56 56 PHE HA H 5.109 0.05 1 461 56 56 PHE HB2 H 2.383 0.05 2 462 56 56 PHE HB3 H 1.665 0.05 2 463 56 56 PHE HD1 H 7.215 0.05 3 464 56 56 PHE HD2 H 7.215 0.05 3 465 56 56 PHE CA C 54.460 0.1 1 466 56 56 PHE CB C 36.812 0.1 1 467 56 56 PHE N N 119.118 0.1 1 468 57 57 PRO HA H 4.094 0.05 1 469 57 57 PRO HB2 H 1.896 0.05 2 470 57 57 PRO HB3 H 0.901 0.05 2 471 57 57 PRO C C 178.100 0.1 1 472 57 57 PRO CA C 64.09 0.1 1 473 57 57 PRO CB C 32.22 0.1 1 474 58 58 PHE H H 8.486 0.05 1 475 58 58 PHE HA H 4.788 0.05 1 476 58 58 PHE HB2 H 3.249 0.05 2 477 58 58 PHE HB3 H 2.979 0.05 2 478 58 58 PHE HD1 H 7.231 0.05 3 479 58 58 PHE HD2 H 7.231 0.05 3 480 58 58 PHE C C 176.400 0.1 1 481 58 58 PHE CA C 57.020 0.1 1 482 58 58 PHE CB C 39.166 0.1 1 483 58 58 PHE N N 115.184 0.1 1 484 59 59 GLY H H 7.099 0.05 1 485 59 59 GLY HA2 H 4.577 0.05 2 486 59 59 GLY HA3 H 4.296 0.05 2 487 59 59 GLY C C 172.900 0.1 1 488 59 59 GLY CA C 44.160 0.1 1 489 59 59 GLY N N 104.891 0.1 1 490 60 60 ASP H H 9.028 0.05 1 491 60 60 ASP HA H 5.229 0.05 1 492 60 60 ASP HB2 H 2.966 0.05 2 493 60 60 ASP HB3 H 2.675 0.05 2 494 60 60 ASP CA C 50.579 0.1 1 495 60 60 ASP CB C 42.284 0.1 1 496 60 60 ASP N N 122.857 0.1 1 497 61 61 PRO HA H 4.215 0.05 1 498 61 61 PRO HB2 H 2.418 0.05 2 499 61 61 PRO HB3 H 2.115 0.05 2 500 61 61 PRO C C 178.200 0.1 1 501 61 61 PRO CA C 65.570 0.1 1 502 61 61 PRO CB C 32.600 0.1 1 503 62 62 SER H H 7.828 0.05 1 504 62 62 SER HA H 3.871 0.05 1 505 62 62 SER HB2 H 4.049 0.05 2 506 62 62 SER HB3 H 4.049 0.05 2 507 62 62 SER C C 176.569 0.1 1 508 62 62 SER CA C 61.110 0.1 1 509 62 62 SER CB C 62.540 0.1 1 510 62 62 SER N N 110.619 0.1 1 511 63 63 ALA H H 7.651 0.05 1 512 63 63 ALA HA H 4.166 0.05 1 513 63 63 ALA HB H 1.438 0.05 1 514 63 63 ALA C C 181.200 0.1 1 515 63 63 ALA CA C 54.570 0.1 1 516 63 63 ALA CB C 18.891 0.1 1 517 63 63 ALA N N 124.202 0.1 1 518 64 64 PHE H H 9.143 0.05 1 519 64 64 PHE HA H 4.407 0.05 1 520 64 64 PHE HB2 H 3.356 0.05 2 521 64 64 PHE HB3 H 2.120 0.05 2 522 64 64 PHE HD1 H 6.815 0.05 3 523 64 64 PHE HD2 H 6.815 0.05 3 524 64 64 PHE C C 177.700 0.1 1 525 64 64 PHE CA C 61.967 0.1 1 526 64 64 PHE CB C 38.904 0.1 1 527 64 64 PHE N N 120.069 0.1 1 528 65 65 ALA H H 7.722 0.05 1 529 65 65 ALA HA H 3.718 0.05 1 530 65 65 ALA HB H 1.454 0.05 1 531 65 65 ALA C C 178.900 0.1 1 532 65 65 ALA CA C 55.430 0.1 1 533 65 65 ALA CB C 18.446 0.1 1 534 65 65 ALA N N 117.606 0.1 1 535 66 66 GLU H H 7.094 0.05 1 536 66 66 GLU HA H 3.800 0.05 1 537 66 66 GLU HB2 H 2.025 0.05 2 538 66 66 GLU HB3 H 2.025 0.05 2 539 66 66 GLU C C 178.200 0.1 1 540 66 66 GLU CA C 58.850 0.1 1 541 66 66 GLU CB C 29.030 0.1 1 542 66 66 GLU N N 115.002 0.1 1 543 67 67 TYR H H 6.960 0.05 1 544 67 67 TYR HA H 4.008 0.05 1 545 67 67 TYR HB2 H 2.970 0.05 2 546 67 67 TYR HB3 H 2.760 0.05 2 547 67 67 TYR HD1 H 6.603 0.05 3 548 67 67 TYR HD2 H 6.603 0.05 3 549 67 67 TYR HE1 H 6.485 0.05 3 550 67 67 TYR HE2 H 6.485 0.05 3 551 67 67 TYR C C 177.000 0.1 1 552 67 67 TYR CA C 60.950 0.1 1 553 67 67 TYR CB C 37.968 0.1 1 554 67 67 TYR N N 120.192 0.1 1 555 68 68 VAL H H 8.164 0.05 1 556 68 68 VAL HA H 2.994 0.05 1 557 68 68 VAL HB H 1.364 0.05 1 558 68 68 VAL HG1 H 0.303 0.05 1 559 68 68 VAL HG2 H 0.019 0.05 1 560 68 68 VAL C C 178.100 0.1 1 561 68 68 VAL CA C 66.760 0.1 1 562 68 68 VAL CB C 31.662 0.1 1 563 68 68 VAL CG1 C 25.469 0.1 1 564 68 68 VAL CG2 C 21.044 0.1 1 565 68 68 VAL N N 117.408 0.1 1 566 69 69 PHE H H 8.487 0.05 1 567 69 69 PHE HA H 3.513 0.05 1 568 69 69 PHE HB2 H 2.975 0.05 2 569 69 69 PHE HB3 H 2.819 0.05 2 570 69 69 PHE HD1 H 7.264 0.05 3 571 69 69 PHE HD2 H 7.264 0.05 3 572 69 69 PHE CA C 62.130 0.1 1 573 69 69 PHE CB C 37.175 0.1 1 574 69 69 PHE N N 119.879 0.1 1 575 70 70 ASN H H 7.696 0.05 1 576 70 70 ASN HA H 4.309 0.05 1 577 70 70 ASN HB2 H 2.910 0.05 2 578 70 70 ASN HB3 H 2.690 0.05 2 579 70 70 ASN C C 176.500 0.1 1 580 70 70 ASN CA C 55.610 0.1 1 581 70 70 ASN CB C 37.870 0.1 1 582 70 70 ASN N N 119.377 0.1 1 583 71 71 VAL H H 7.193 0.05 1 584 71 71 VAL HA H 3.328 0.05 1 585 71 71 VAL HB H 1.290 0.05 1 586 71 71 VAL HG1 H 0.458 0.05 1 587 71 71 VAL HG2 H -0.295 0.05 1 588 71 71 VAL C C 177.700 0.1 1 589 71 71 VAL CA C 65.360 0.1 1 590 71 71 VAL CB C 33.090 0.1 1 591 71 71 VAL CG1 C 22.382 0.1 1 592 71 71 VAL CG2 C 21.035 0.1 1 593 71 71 VAL N N 117.269 0.1 1 594 72 72 PHE H H 8.514 0.05 1 595 72 72 PHE HA H 4.269 0.05 1 596 72 72 PHE HB2 H 3.434 0.05 2 597 72 72 PHE HB3 H 2.392 0.05 2 598 72 72 PHE HD1 H 7.427 0.05 3 599 72 72 PHE HD2 H 7.427 0.05 3 600 72 72 PHE C C 174.900 0.1 1 601 72 72 PHE CA C 60.430 0.1 1 602 72 72 PHE CB C 38.307 0.1 1 603 72 72 PHE N N 114.295 0.1 1 604 73 73 ASP H H 7.539 0.05 1 605 73 73 ASP HA H 5.187 0.05 1 606 73 73 ASP HB2 H 2.706 0.05 2 607 73 73 ASP HB3 H 2.054 0.05 2 608 73 73 ASP C C 177.600 0.1 1 609 73 73 ASP CA C 53.280 0.1 1 610 73 73 ASP CB C 40.340 0.1 1 611 73 73 ASP N N 122.865 0.1 1 612 74 74 ALA H H 8.066 0.05 1 613 74 74 ALA HA H 3.918 0.05 1 614 74 74 ALA HB H 1.269 0.05 1 615 74 74 ALA C C 179.300 0.1 1 616 74 74 ALA CA C 55.166 0.1 1 617 74 74 ALA CB C 18.387 0.1 1 618 74 74 ALA N N 125.532 0.1 1 619 75 75 ASP H H 8.372 0.05 1 620 75 75 ASP HA H 4.470 0.05 1 621 75 75 ASP HB2 H 2.677 0.05 2 622 75 75 ASP HB3 H 2.400 0.05 2 623 75 75 ASP C C 174.900 0.1 1 624 75 75 ASP CA C 54.730 0.1 1 625 75 75 ASP CB C 40.273 0.1 1 626 75 75 ASP N N 114.412 0.1 1 627 76 76 LYS H H 7.915 0.05 1 628 76 76 LYS HA H 3.775 0.05 1 629 76 76 LYS HB2 H 1.959 0.05 2 630 76 76 LYS HB3 H 1.677 0.05 2 631 76 76 LYS C C 177.300 0.1 1 632 76 76 LYS CA C 57.030 0.1 1 633 76 76 LYS CB C 28.190 0.1 1 634 76 76 LYS N N 117.126 0.1 1 635 77 77 ASN H H 7.849 0.05 1 636 77 77 ASN HA H 4.414 0.05 1 637 77 77 ASN HB2 H 2.100 0.05 2 638 77 77 ASN HB3 H 2.100 0.05 2 639 77 77 ASN C C 177.600 0.1 1 640 77 77 ASN CA C 55.290 0.1 1 641 77 77 ASN CB C 39.140 0.1 1 642 77 77 ASN N N 121.079 0.1 1 643 78 78 GLY H H 10.873 0.05 1 644 78 78 GLY HA2 H 4.300 0.05 2 645 78 78 GLY HA3 H 3.483 0.05 2 646 78 78 GLY C C 173.800 0.1 1 647 78 78 GLY CA C 44.950 0.1 1 648 78 78 GLY N N 110.101 0.1 1 649 79 79 TYR H H 6.917 0.05 1 650 79 79 TYR HA H 5.364 0.05 1 651 79 79 TYR HB2 H 2.822 0.05 2 652 79 79 TYR HB3 H 2.602 0.05 2 653 79 79 TYR HD1 H 6.301 0.05 3 654 79 79 TYR HD2 H 6.301 0.05 3 655 79 79 TYR C C 173.000 0.1 1 656 79 79 TYR CA C 55.670 0.1 1 657 79 79 TYR CB C 40.302 0.1 1 658 79 79 TYR N N 116.009 0.1 1 659 80 80 ILE H H 8.318 0.05 1 660 80 80 ILE HA H 4.359 0.05 1 661 80 80 ILE HB H 1.303 0.05 1 662 80 80 ILE HD1 H 0.272 0.05 1 663 80 80 ILE HG12 H 1.134 0.05 2 664 80 80 ILE HG13 H 0.453 0.05 2 665 80 80 ILE HG2 H -0.537 0.05 1 666 80 80 ILE C C 174.500 0.1 1 667 80 80 ILE CA C 58.480 0.1 1 668 80 80 ILE CB C 41.739 0.1 1 669 80 80 ILE CD1 C 14.968 0.1 1 670 80 80 ILE CG2 C 18.139 0.1 1 671 80 80 ILE N N 109.017 0.1 1 672 81 81 ASP H H 9.080 0.05 1 673 81 81 ASP HA H 4.810 0.05 1 674 81 81 ASP HB2 H 3.121 0.05 2 675 81 81 ASP HB3 H 2.705 0.05 2 676 81 81 ASP C C 174.700 0.1 1 677 81 81 ASP CA C 52.970 0.1 1 678 81 81 ASP CB C 40.800 0.1 1 679 81 81 ASP N N 121.291 0.1 1 680 82 82 PHE H H 9.691 0.05 1 681 82 82 PHE HA H 4.381 0.05 1 682 82 82 PHE HB2 H 3.535 0.05 2 683 82 82 PHE HB3 H 3.280 0.05 2 684 82 82 PHE HD1 H 7.185 0.05 3 685 82 82 PHE HD2 H 7.185 0.05 3 686 82 82 PHE C C 177.200 0.1 1 687 82 82 PHE CA C 60.370 0.1 1 688 82 82 PHE CB C 40.987 0.1 1 689 82 82 PHE N N 127.588 0.1 1 690 83 83 LYS H H 8.680 0.05 1 691 83 83 LYS HA H 3.537 0.05 1 692 83 83 LYS HB2 H 1.629 0.05 2 693 83 83 LYS HB3 H 1.491 0.05 2 694 83 83 LYS C C 177.784 0.1 1 695 83 83 LYS CA C 60.990 0.1 1 696 83 83 LYS CB C 32.070 0.1 1 697 83 83 LYS N N 115.990 0.1 1 698 84 84 GLU H H 7.173 0.05 1 699 84 84 GLU HA H 3.871 0.05 1 700 84 84 GLU HB2 H 2.061 0.05 2 701 84 84 GLU HB3 H 2.061 0.05 2 702 84 84 GLU C C 177.755 0.1 1 703 84 84 GLU CA C 59.570 0.1 1 704 84 84 GLU CB C 30.160 0.1 1 705 84 84 GLU N N 117.008 0.1 1 706 85 85 PHE H H 6.697 0.05 1 707 85 85 PHE HA H 3.442 0.05 1 708 85 85 PHE HB2 H 2.693 0.05 2 709 85 85 PHE HB3 H 2.315 0.05 2 710 85 85 PHE HD1 H 6.738 0.05 3 711 85 85 PHE HD2 H 6.738 0.05 3 712 85 85 PHE C C 174.900 0.1 1 713 85 85 PHE CA C 60.390 0.1 1 714 85 85 PHE CB C 38.624 0.1 1 715 85 85 PHE N N 115.910 0.1 1 716 86 86 ILE H H 7.846 0.05 1 717 86 86 ILE HA H 3.240 0.05 1 718 86 86 ILE HB H 1.544 0.05 1 719 86 86 ILE HD1 H 0.422 0.05 1 720 86 86 ILE HG12 H 1.136 0.05 2 721 86 86 ILE HG13 H 1.136 0.05 2 722 86 86 ILE HG2 H 0.678 0.05 1 723 86 86 ILE C C 179.436 0.1 1 724 86 86 ILE CA C 63.820 0.1 1 725 86 86 ILE CB C 36.560 0.1 1 726 86 86 ILE N N 114.811 0.1 1 727 87 87 CYS H H 8.396 0.05 1 728 87 87 CYS HA H 3.796 0.05 1 729 87 87 CYS HB2 H 3.053 0.05 2 730 87 87 CYS HB3 H 3.053 0.05 2 731 87 87 CYS C C 176.800 0.1 1 732 87 87 CYS CA C 63.350 0.1 1 733 87 87 CYS CB C 26.800 0.1 1 734 87 87 CYS N N 122.185 0.1 1 735 88 88 ALA H H 8.004 0.05 1 736 88 88 ALA HA H 3.922 0.05 1 737 88 88 ALA HB H 1.731 0.05 1 738 88 88 ALA C C 178.176 0.1 1 739 88 88 ALA CA C 54.930 0.1 1 740 88 88 ALA CB C 19.142 0.1 1 741 88 88 ALA N N 121.314 0.1 1 742 89 89 LEU H H 7.380 0.05 1 743 89 89 LEU HA H 4.234 0.05 1 744 89 89 LEU HB2 H 1.869 0.05 1 745 89 89 LEU HB3 H 1.595 0.05 1 746 89 89 LEU HD1 H 0.641 0.05 1 747 89 89 LEU HD2 H 0.415 0.05 1 748 89 89 LEU HG H 1.609 0.05 1 749 89 89 LEU C C 179.400 0.1 1 750 89 89 LEU CA C 56.580 0.1 1 751 89 89 LEU CB C 40.410 0.1 1 752 89 89 LEU CD1 C 21.438 0.1 1 753 89 89 LEU CD2 C 26.150 0.1 1 754 89 89 LEU N N 116.490 0.1 1 755 90 90 SER H H 8.235 0.05 1 756 90 90 SER HA H 3.996 0.05 1 757 90 90 SER C C 175.300 0.1 1 758 90 90 SER CA C 62.660 0.1 1 759 90 90 SER CB C 63.840 0.1 1 760 90 90 SER N N 115.501 0.1 1 761 91 91 VAL H H 7.883 0.05 1 762 91 91 VAL HA H 3.752 0.05 1 763 91 91 VAL HB H 2.317 0.05 1 764 91 91 VAL HG1 H 1.115 0.05 1 765 91 91 VAL HG2 H 1.034 0.05 1 766 91 91 VAL C C 176.700 0.1 1 767 91 91 VAL CA C 65.610 0.1 1 768 91 91 VAL CB C 32.629 0.1 1 769 91 91 VAL CG1 C 24.254 0.1 1 770 91 91 VAL CG2 C 21.971 0.1 1 771 91 91 VAL N N 118.219 0.1 1 772 92 92 THR H H 7.069 0.05 1 773 92 92 THR HA H 4.040 0.05 1 774 92 92 THR HB H 4.346 0.05 1 775 92 92 THR HG2 H 0.922 0.05 1 776 92 92 THR C C 174.100 0.1 1 777 92 92 THR CA C 60.820 0.1 1 778 92 92 THR CB C 67.840 0.1 1 779 92 92 THR CG2 C 22.205 0.1 1 780 92 92 THR N N 106.004 0.1 1 781 93 93 SER H H 7.145 0.05 1 782 93 93 SER HA H 3.685 0.05 1 783 93 93 SER HB2 H 4.305 0.05 2 784 93 93 SER HB3 H 4.305 0.05 2 785 93 93 SER C C 173.200 0.1 1 786 93 93 SER CA C 58.200 0.1 1 787 93 93 SER CB C 64.800 0.1 1 788 93 93 SER N N 115.611 0.1 1 789 94 94 ARG H H 8.338 0.05 1 790 94 94 ARG HA H 4.378 0.05 1 791 94 94 ARG HB2 H 1.723 0.05 2 792 94 94 ARG HB3 H 1.592 0.05 2 793 94 94 ARG C C 176.500 0.1 1 794 94 94 ARG CA C 55.370 0.1 1 795 94 94 ARG CB C 30.665 0.1 1 796 94 94 ARG N N 121.698 0.1 1 797 95 95 GLY H H 8.315 0.05 1 798 95 95 GLY HA2 H 4.145 0.05 2 799 95 95 GLY HA3 H 3.862 0.05 2 800 95 95 GLY C C 172.700 0.1 1 801 95 95 GLY CA C 44.560 0.1 1 802 95 95 GLY N N 110.803 0.1 1 803 96 96 GLU H H 8.614 0.05 1 804 96 96 GLU HA H 4.293 0.05 1 805 96 96 GLU HB2 H 2.188 0.05 2 806 96 96 GLU HB3 H 1.902 0.05 2 807 96 96 GLU C C 177.800 0.1 1 808 96 96 GLU CA C 55.810 0.1 1 809 96 96 GLU CB C 30.410 0.1 1 810 96 96 GLU N N 119.208 0.1 1 811 97 97 LEU H H 8.656 0.05 1 812 97 97 LEU HA H 3.873 0.05 1 813 97 97 LEU HB2 H 1.702 0.05 2 814 97 97 LEU HB3 H 1.557 0.05 2 815 97 97 LEU HD1 H 0.867 0.05 2 816 97 97 LEU HD2 H 0.874 0.05 2 817 97 97 LEU C C 179.000 0.1 1 818 97 97 LEU CA C 59.130 0.1 1 819 97 97 LEU CB C 41.560 0.1 1 820 97 97 LEU N N 124.2 0.1 1 821 98 98 ASN H H 8.941 0.05 1 822 98 98 ASN HA H 4.263 0.05 1 823 98 98 ASN HB2 H 2.648 0.05 2 824 98 98 ASN HB3 H 2.648 0.05 2 825 98 98 ASN C C 177.200 0.1 1 826 98 98 ASN CA C 56.980 0.1 1 827 98 98 ASN CB C 38.000 0.1 1 828 98 98 ASN N N 114.696 0.1 1 829 99 99 ASP H H 6.934 0.05 1 830 99 99 ASP HA H 4.411 0.05 1 831 99 99 ASP HB2 H 2.786 0.05 2 832 99 99 ASP HB3 H 2.628 0.05 2 833 99 99 ASP C C 179.200 0.1 1 834 99 99 ASP CA C 57.480 0.1 1 835 99 99 ASP CB C 40.800 0.1 1 836 99 99 ASP N N 116.195 0.1 1 837 100 100 LYS H H 7.722 0.05 1 838 100 100 LYS HA H 4.070 0.05 1 839 100 100 LYS HB2 H 2.123 0.05 2 840 100 100 LYS HB3 H 1.839 0.05 2 841 100 100 LYS C C 178.582 0.1 1 842 100 100 LYS CA C 60.200 0.1 1 843 100 100 LYS CB C 34.040 0.1 1 844 100 100 LYS N N 121.382 0.1 1 845 101 101 LEU H H 7.944 0.05 1 846 101 101 LEU HA H 4.246 0.05 1 847 101 101 LEU HB2 H 2.069 0.05 2 848 101 101 LEU HB3 H 1.680 0.05 2 849 101 101 LEU HD1 H 0.733 0.05 1 850 101 101 LEU HD2 H 0.563 0.05 1 851 101 101 LEU C C 178.700 0.1 1 852 101 101 LEU CA C 58.130 0.05 1 853 101 101 LEU CB C 42.140 0.05 1 854 101 101 LEU CD1 C 26.877 0.1 1 855 101 101 LEU CD2 C 22.292 0.1 1 856 101 101 LEU N N 119.391 0.1 1 857 102 102 ILE H H 8.507 0.05 1 858 102 102 ILE HA H 3.557 0.05 1 859 102 102 ILE HB H 1.842 0.05 1 860 102 102 ILE HD1 H 0.799 0.05 1 861 102 102 ILE HG12 H 1.829 0.05 2 862 102 102 ILE HG13 H 1.829 0.05 2 863 102 102 ILE HG2 H 0.900 0.05 1 864 102 102 ILE C C 177.000 0.1 1 865 102 102 ILE CA C 66.300 0.1 1 866 102 102 ILE CB C 38.480 0.1 1 867 102 102 ILE CD1 C 13.719 0.1 1 868 102 102 ILE CG2 C 17.322 0.1 1 869 102 102 ILE N N 120.001 0.1 1 870 103 103 TRP H H 7.723 0.05 1 871 103 103 TRP HA H 4.342 0.05 1 872 103 103 TRP HB2 H 3.409 0.05 2 873 103 103 TRP HB3 H 3.409 0.05 2 874 103 103 TRP HD1 H 7.361 0.05 1 875 103 103 TRP HE1 H 9.880 0.05 1 876 103 103 TRP C C 177.500 0.1 1 877 103 103 TRP CA C 59.670 0.05 1 878 103 103 TRP CB C 29.060 0.05 1 879 103 103 TRP N N 118.426 0.1 1 880 103 103 TRP NE1 N 128.900 0.1 1 881 104 104 ALA H H 7.364 0.05 1 882 104 104 ALA HA H 4.021 0.05 1 883 104 104 ALA HB H 1.684 0.05 1 884 104 104 ALA C C 177.200 0.1 1 885 104 104 ALA CA C 55.220 0.1 1 886 104 104 ALA CB C 18.810 0.1 1 887 104 104 ALA N N 118.612 0.1 1 888 105 105 PHE H H 8.049 0.05 1 889 105 105 PHE HA H 3.320 0.05 1 890 105 105 PHE HB2 H 2.951 0.05 2 891 105 105 PHE HB3 H 2.574 0.05 2 892 105 105 PHE HD1 H 6.350 0.05 3 893 105 105 PHE HD2 H 6.350 0.05 3 894 105 105 PHE C C 177.900 0.1 1 895 105 105 PHE CA C 61.690 0.1 1 896 105 105 PHE CB C 40.302 0.1 1 897 105 105 PHE N N 115.995 0.1 1 898 106 106 GLN H H 8.491 0.05 1 899 106 106 GLN HA H 3.849 0.05 1 900 106 106 GLN HB2 H 2.037 0.05 2 901 106 106 GLN HB3 H 1.943 0.05 2 902 106 106 GLN C C 177.800 0.1 1 903 106 106 GLN CA C 58.930 0.1 1 904 106 106 GLN CB C 27.840 0.1 1 905 106 106 GLN N N 113.004 0.1 1 906 107 107 LEU H H 6.784 0.05 1 907 107 107 LEU HA H 3.525 0.05 1 908 107 107 LEU HB2 H 1.250 0.05 2 909 107 107 LEU HB3 H 0.961 0.05 2 910 107 107 LEU HD1 H 0.691 0.05 1 911 107 107 LEU HD2 H 0.129 0.05 1 912 107 107 LEU C C 175.600 0.1 1 913 107 107 LEU CA C 56.430 0.1 1 914 107 107 LEU CB C 42.020 0.1 1 915 107 107 LEU CD1 C 24.203 0.1 1 916 107 107 LEU CD2 C 24.562 0.1 1 917 107 107 LEU N N 119.180 0.1 1 918 108 108 TYR H H 6.815 0.05 1 919 108 108 TYR HA H 3.959 0.05 1 920 108 108 TYR HB2 H 2.808 0.05 2 921 108 108 TYR HB3 H 2.110 0.05 2 922 108 108 TYR HD1 H 6.964 0.05 3 923 108 108 TYR HD2 H 6.964 0.05 3 924 108 108 TYR HE1 H 6.402 0.05 3 925 108 108 TYR HE2 H 6.402 0.05 3 926 108 108 TYR C C 174.669 0.1 1 927 108 108 TYR CA C 59.280 0.1 1 928 108 108 TYR CB C 38.398 0.1 1 929 108 108 TYR N N 113.285 0.1 1 930 109 109 ASP H H 7.462 0.05 1 931 109 109 ASP HA H 4.959 0.05 1 932 109 109 ASP HB2 H 2.380 0.05 2 933 109 109 ASP HB3 H 1.922 0.05 2 934 109 109 ASP C C 177.600 0.1 1 935 109 109 ASP CA C 52.540 0.1 1 936 109 109 ASP CB C 40.490 0.1 1 937 109 109 ASP N N 121.913 0.1 1 938 110 110 LEU H H 7.778 0.05 1 939 110 110 LEU HA H 3.961 0.05 1 940 110 110 LEU HB2 H 1.523 0.05 2 941 110 110 LEU HB3 H 1.377 0.05 2 942 110 110 LEU HD1 H 0.872 0.05 1 943 110 110 LEU HD2 H 0.692 0.05 1 944 110 110 LEU CA C 57.650 0.1 1 945 110 110 LEU CB C 41.725 0.1 1 946 110 110 LEU CD1 C 24.07 0.1 1 947 110 110 LEU CD2 C 25.85 0.1 1 948 110 110 LEU N N 122.687 0.1 1 949 111 111 ASP H H 8.468 0.05 1 950 111 111 ASP HA H 4.286 0.05 1 951 111 111 ASP HB2 H 2.749 0.05 2 952 111 111 ASP HB3 H 2.420 0.05 2 953 111 111 ASP C C 175.200 0.1 1 954 111 111 ASP CA C 54.280 0.1 1 955 111 111 ASP CB C 40.450 0.1 1 956 111 111 ASP N N 115.920 0.1 1 957 112 112 ASN H H 7.972 0.05 1 958 112 112 ASN HA H 4.375 0.05 1 959 112 112 ASN HB2 H 3.012 0.05 2 960 112 112 ASN HB3 H 2.614 0.05 2 961 112 112 ASN C C 175.511 0.1 1 962 112 112 ASN CA C 54.810 0.1 1 963 112 112 ASN CB C 36.850 0.1 1 964 112 112 ASN N N 116.771 0.1 1 965 113 113 ASN H H 10.214 0.05 1 966 113 113 ASN HA H 4.614 0.05 1 967 113 113 ASN HB2 H 2.707 0.05 2 968 113 113 ASN HB3 H 2.707 0.05 2 969 113 113 ASN C C 177.346 0.1 1 970 113 113 ASN CA C 54.834 0.1 1 971 113 113 ASN CB C 39.852 0.1 1 972 113 113 ASN N N 119.154 0.1 1 973 114 114 GLY H H 11.111 0.05 1 974 114 114 GLY HA2 H 4.069 0.05 2 975 114 114 GLY HA3 H 3.666 0.05 2 976 114 114 GLY C C 173.833 0.1 1 977 114 114 GLY CA C 45.970 0.1 1 978 114 114 GLY N N 112.375 0.1 1 979 115 115 LEU H H 6.809 0.05 1 980 115 115 LEU HA H 5.494 0.05 1 981 115 115 LEU HB2 H 1.240 0.05 2 982 115 115 LEU HB3 H 1.240 0.05 2 983 115 115 LEU HD1 H 0.700 0.05 1 984 115 115 LEU HD2 H 0.700 0.05 1 985 115 115 LEU HG H 1.381 0.05 1 986 115 115 LEU C C 175.594 0.1 1 987 115 115 LEU CA C 53.810 0.1 1 988 115 115 LEU CB C 47.950 0.1 1 989 115 115 LEU N N 118.397 0.1 1 990 116 116 ILE H H 8.599 0.05 1 991 116 116 ILE HA H 4.552 0.05 1 992 116 116 ILE HB H 1.515 0.05 1 993 116 116 ILE HD1 H 0.114 0.05 1 994 116 116 ILE HG12 H 1.197 0.05 2 995 116 116 ILE HG13 H 0.903 0.05 2 996 116 116 ILE HG2 H 0.020 0.05 1 997 116 116 ILE C C 173.900 0.1 1 998 116 116 ILE CA C 60.190 0.1 1 999 116 116 ILE CB C 42.150 0.1 1 1000 116 116 ILE CD1 C 14.266 0.1 1 1001 116 116 ILE CG2 C 15.902 0.1 1 1002 116 116 ILE N N 114.401 0.1 1 1003 117 117 SER H H 8.756 0.05 1 1004 117 117 SER HA H 4.894 0.05 1 1005 117 117 SER HB2 H 4.441 0.05 2 1006 117 117 SER HB3 H 3.955 0.05 2 1007 117 117 SER C C 174.200 0.1 1 1008 117 117 SER CA C 56.900 0.1 1 1009 117 117 SER CB C 66.540 0.1 1 1010 117 117 SER N N 118.098 0.1 1 1011 118 118 TYR H H 8.987 0.05 1 1012 118 118 TYR HA H 3.658 0.05 1 1013 118 118 TYR HB2 H 2.793 0.05 2 1014 118 118 TYR HB3 H 2.679 0.05 2 1015 118 118 TYR HD1 H 6.041 0.05 3 1016 118 118 TYR HD2 H 6.041 0.05 3 1017 118 118 TYR HE1 H 6.427 0.05 3 1018 118 118 TYR HE2 H 6.427 0.05 3 1019 118 118 TYR C C 176.300 0.1 1 1020 118 118 TYR CA C 62.570 0.1 1 1021 118 118 TYR CB C 39.070 0.1 1 1022 118 118 TYR N N 121.625 0.1 1 1023 119 119 ASP H H 8.308 0.05 1 1024 119 119 ASP HA H 4.145 0.05 1 1025 119 119 ASP HB2 H 2.499 0.05 2 1026 119 119 ASP HB3 H 2.499 0.05 2 1027 119 119 ASP C C 178.800 0.1 1 1028 119 119 ASP CA C 57.410 0.1 1 1029 119 119 ASP CB C 41.030 0.1 1 1030 119 119 ASP N N 116.092 0.1 1 1031 120 120 GLU H H 7.417 0.05 1 1032 120 120 GLU HA H 3.495 0.05 1 1033 120 120 GLU HB2 H 2.168 0.05 2 1034 120 120 GLU HB3 H 1.365 0.05 2 1035 120 120 GLU C C 177.100 0.1 1 1036 120 120 GLU CA C 59.670 0.1 1 1037 120 120 GLU CB C 28.980 0.1 1 1038 120 120 GLU N N 118.288 0.1 1 1039 121 121 MET H H 8.119 0.05 1 1040 121 121 MET HA H 3.738 0.05 1 1041 121 121 MET HB2 H 2.064 0.05 2 1042 121 121 MET HB3 H 2.064 0.05 2 1043 121 121 MET C C 177.500 0.1 1 1044 121 121 MET CA C 59.370 0.1 1 1045 121 121 MET CB C 31.030 0.1 1 1046 121 121 MET N N 118.616 0.1 1 1047 122 122 LEU H H 8.253 0.05 1 1048 122 122 LEU HA H 3.662 0.05 1 1049 122 122 LEU HB2 H 1.662 0.05 2 1050 122 122 LEU HB3 H 1.158 0.05 2 1051 122 122 LEU HD1 H 0.720 0.05 1 1052 122 122 LEU HD2 H 0.662 0.05 1 1053 122 122 LEU HG H 1.367 0.05 1 1054 122 122 LEU C C 178.000 0.1 1 1055 122 122 LEU CA C 58.500 0.1 1 1056 122 122 LEU CB C 41.205 0.1 1 1057 122 122 LEU CD2 C 24.323 0.1 1 1058 122 122 LEU N N 118.733 0.1 1 1059 123 123 ARG H H 7.236 0.05 1 1060 123 123 ARG HA H 3.915 0.05 1 1061 123 123 ARG HB2 H 1.822 0.05 2 1062 123 123 ARG HB3 H 1.683 0.05 2 1063 123 123 ARG C C 179.700 0.1 1 1064 123 123 ARG CA C 58.890 0.1 1 1065 123 123 ARG CB C 29.200 0.1 1 1066 123 123 ARG N N 117.616 0.1 1 1067 124 124 ILE H H 7.560 0.05 1 1068 124 124 ILE HA H 3.790 0.05 1 1069 124 124 ILE HB H 1.876 0.05 1 1070 124 124 ILE HD1 H 0.303 0.05 1 1071 124 124 ILE HG12 H 1.088 0.05 2 1072 124 124 ILE HG13 H 1.088 0.05 2 1073 124 124 ILE HG2 H 0.799 0.05 1 1074 124 124 ILE C C 177.225 0.1 1 1075 124 124 ILE CA C 65.180 0.1 1 1076 124 124 ILE CB C 38.820 0.1 1 1077 124 124 ILE CD1 C 13.964 0.1 1 1078 124 124 ILE CG2 C 16.757 0.1 1 1079 124 124 ILE N N 121.416 0.1 1 1080 125 125 VAL H H 8.131 0.05 1 1081 125 125 VAL HA H 3.419 0.05 1 1082 125 125 VAL HB H 1.869 0.05 1 1083 125 125 VAL HG1 H 0.889 0.05 1 1084 125 125 VAL HG2 H 0.889 0.05 1 1085 125 125 VAL CA C 67.160 0.1 1 1086 125 125 VAL CB C 31.315 0.1 1 1087 125 125 VAL CG1 C 23.344 0.1 1 1088 125 125 VAL CG2 C 23.344 0.1 1 1089 125 125 VAL N N 117.218 0.1 1 1090 126 126 ASP H H 8.880 0.05 1 1091 126 126 ASP HA H 4.407 0.05 1 1092 126 126 ASP HB2 H 2.683 0.05 2 1093 126 126 ASP HB3 H 2.683 0.05 2 1094 126 126 ASP C C 178.000 0.1 1 1095 126 126 ASP CA C 57.580 0.1 1 1096 126 126 ASP CB C 41.710 0.1 1 1097 126 126 ASP N N 120.202 0.1 1 1098 127 127 ALA H H 7.992 0.05 1 1099 127 127 ALA HA H 4.155 0.05 1 1100 127 127 ALA HB H 1.839 0.05 1 1101 127 127 ALA C C 179.753 0.1 1 1102 127 127 ALA CA C 56.170 0.1 1 1103 127 127 ALA CB C 19.150 0.1 1 1104 127 127 ALA N N 120.593 0.1 1 1105 128 128 ILE H H 7.847 0.05 1 1106 128 128 ILE HA H 3.582 0.05 1 1107 128 128 ILE HB H 1.924 0.05 1 1108 128 128 ILE HD1 H 0.868 0.05 1 1109 128 128 ILE HG12 H 1.930 0.05 2 1110 128 128 ILE HG13 H 1.048 0.05 2 1111 128 128 ILE HG2 H 0.785 0.05 1 1112 128 128 ILE C C 177.600 0.1 1 1113 128 128 ILE CA C 65.910 0.1 1 1114 128 128 ILE CB C 38.130 0.1 1 1115 128 128 ILE CD1 C 12.918 0.1 1 1116 128 128 ILE CG2 C 17.964 0.1 1 1117 128 128 ILE N N 116.286 0.1 1 1118 129 129 TYR H H 9.071 0.05 1 1119 129 129 TYR HA H 3.925 0.05 1 1120 129 129 TYR HB2 H 3.211 0.05 2 1121 129 129 TYR HB3 H 3.211 0.05 2 1122 129 129 TYR HD1 H 7.019 0.05 3 1123 129 129 TYR HD2 H 7.019 0.05 3 1124 129 129 TYR HE1 H 6.637 0.05 3 1125 129 129 TYR HE2 H 6.637 0.05 3 1126 129 129 TYR C C 178.900 0.1 1 1127 129 129 TYR CA C 62.470 0.1 1 1128 129 129 TYR CB C 39.086 0.1 1 1129 129 129 TYR N N 121.812 0.1 1 1130 130 130 LYS H H 8.537 0.05 1 1131 130 130 LYS HA H 3.705 0.05 1 1132 130 130 LYS HB2 H 1.823 0.05 2 1133 130 130 LYS HB3 H 1.100 0.05 2 1134 130 130 LYS C C 179.100 0.1 1 1135 130 130 LYS CA C 59.870 0.05 1 1136 130 130 LYS CB C 32.580 0.05 1 1137 130 130 LYS N N 119.394 0.1 1 1138 131 131 MET H H 7.730 0.05 1 1139 131 131 MET HA H 4.179 0.05 1 1140 131 131 MET HB2 H 2.516 0.05 2 1141 131 131 MET HB3 H 2.516 0.05 2 1142 131 131 MET HE H 2.195 0.05 1 1143 131 131 MET C C 180.000 0.1 1 1144 131 131 MET CA C 58.070 0.1 1 1145 131 131 MET CB C 33.850 0.1 1 1146 131 131 MET N N 118.094 0.1 1 1147 132 132 VAL H H 9.338 0.05 1 1148 132 132 VAL HA H 3.751 0.05 1 1149 132 132 VAL HB H 2.019 0.05 1 1150 132 132 VAL HG1 H 1.090 0.05 1 1151 132 132 VAL HG2 H 0.875 0.05 1 1152 132 132 VAL C C 178.600 0.1 1 1153 132 132 VAL CA C 66.910 0.1 1 1154 132 132 VAL CB C 31.474 0.1 1 1155 132 132 VAL CG1 C 24.250 0.1 1 1156 132 132 VAL CG2 C 22.557 0.1 1 1157 132 132 VAL N N 120.898 0.1 1 1158 133 133 GLY H H 8.451 0.05 1 1159 133 133 GLY HA2 H 4.106 0.05 2 1160 133 133 GLY HA3 H 3.712 0.05 2 1161 133 133 GLY C C 173.700 0.1 1 1162 133 133 GLY CA C 46.040 0.1 1 1163 133 133 GLY N N 106.622 0.1 1 1164 134 134 SER H H 7.389 0.05 1 1165 134 134 SER HA H 4.363 0.05 1 1166 134 134 SER C C 173.600 0.1 1 1167 134 134 SER CA C 59.640 0.1 1 1168 134 134 SER CB C 64.720 0.1 1 1169 134 134 SER N N 113.897 0.1 1 1170 135 135 MET H H 7.708 0.05 1 1171 135 135 MET HA H 4.343 0.05 1 1172 135 135 MET HB2 H 2.155 0.05 2 1173 135 135 MET HB3 H 2.155 0.05 2 1174 135 135 MET HE H 1.800 0.05 1 1175 135 135 MET C C 176.500 0.1 1 1176 135 135 MET CA C 57.590 0.1 1 1177 135 135 MET CB C 36.510 0.1 1 1178 135 135 MET CE C 16.734 0.1 1 1179 135 135 MET N N 119.803 0.1 1 1180 136 136 VAL H H 8.207 0.05 1 1181 136 136 VAL HA H 4.739 0.05 1 1182 136 136 VAL HB H 1.874 0.05 1 1183 136 136 VAL HG1 H 0.753 0.05 1 1184 136 136 VAL HG2 H 0.655 0.05 1 1185 136 136 VAL C C 173.300 0.1 1 1186 136 136 VAL CA C 59.100 0.1 1 1187 136 136 VAL CB C 35.877 0.1 1 1188 136 136 VAL CG1 C 21.857 0.1 1 1189 136 136 VAL CG2 C 19.431 0.1 1 1190 136 136 VAL N N 114.811 0.1 1 1191 137 137 LYS H H 8.285 0.05 1 1192 137 137 LYS HA H 4.193 0.05 1 1193 137 137 LYS HB2 H 1.749 0.05 2 1194 137 137 LYS HB3 H 1.558 0.05 2 1195 137 137 LYS C C 175.545 0.1 1 1196 137 137 LYS CA C 55.550 0.05 1 1197 137 137 LYS CB C 32.260 0.05 1 1198 137 137 LYS N N 120.788 0.1 1 1199 138 138 LEU H H 8.488 0.05 1 1200 138 138 LEU HA H 4.410 0.05 1 1201 138 138 LEU HB2 H 1.638 0.05 2 1202 138 138 LEU HB3 H 1.299 0.05 2 1203 138 138 LEU HD1 H 0.671 0.05 1 1204 138 138 LEU HD2 H 0.671 0.05 1 1205 138 138 LEU CA C 52.960 0.1 1 1206 138 138 LEU CB C 41.030 0.1 1 1207 138 138 LEU CD1 C 23.660 0.1 1 1208 138 138 LEU CD2 C 23.660 0.1 1 1209 138 138 LEU N N 128.900 0.1 1 1210 139 139 PRO HA H 4.374 0.05 1 1211 139 139 PRO HB2 H 2.295 0.05 2 1212 139 139 PRO HB3 H 1.922 0.05 2 1213 139 139 PRO C C 177.500 0.1 1 1214 139 139 PRO CA C 62.690 0.1 1 1215 139 139 PRO CB C 32.350 0.1 1 1216 140 140 GLU H H 8.763 0.05 1 1217 140 140 GLU HA H 4.042 0.05 1 1218 140 140 GLU HB2 H 2.250 0.05 2 1219 140 140 GLU HB3 H 1.910 0.05 2 1220 140 140 GLU C C 176.300 0.1 1 1221 140 140 GLU CA C 58.100 0.1 1 1222 140 140 GLU CB C 29.500 0.1 1 1223 140 140 GLU N N 122.195 0.1 1 1224 141 141 ASP H H 8.186 0.05 1 1225 141 141 ASP HA H 4.525 0.05 1 1226 141 141 ASP HB2 H 2.753 0.05 2 1227 141 141 ASP HB3 H 2.533 0.05 2 1228 141 141 ASP C C 176.000 0.1 1 1229 141 141 ASP CA C 53.310 0.1 1 1230 141 141 ASP CB C 40.230 0.1 1 1231 141 141 ASP N N 116.939 0.1 1 1232 142 142 GLU H H 7.441 0.05 1 1233 142 142 GLU HA H 4.047 0.05 1 1234 142 142 GLU HB2 H 1.939 0.05 2 1235 142 142 GLU HB3 H 1.939 0.05 2 1236 142 142 GLU C C 176.557 0.1 1 1237 142 142 GLU CA C 56.570 0.1 1 1238 142 142 GLU CB C 30.160 0.1 1 1239 142 142 GLU N N 120.184 0.1 1 1240 143 143 ASP H H 8.420 0.05 1 1241 143 143 ASP HA H 4.516 0.05 1 1242 143 143 ASP HB2 H 2.501 0.05 2 1243 143 143 ASP HB3 H 2.501 0.05 2 1244 143 143 ASP C C 176.600 0.1 1 1245 143 143 ASP CA C 55.300 0.1 1 1246 143 143 ASP CB C 41.360 0.1 1 1247 143 143 ASP N N 124.802 0.1 1 1248 144 144 THR H H 7.332 0.05 1 1249 144 144 THR HA H 4.224 0.05 1 1250 144 144 THR HB H 4.534 0.05 1 1251 144 144 THR HG2 H 1.282 0.05 1 1252 144 144 THR CA C 59.680 0.1 1 1253 144 144 THR CB C 68.230 0.1 1 1254 144 144 THR CG2 C 22.595 0.1 1 1255 144 144 THR N N 112.208 0.1 1 1256 145 145 PRO HA H 3.680 0.05 1 1257 145 145 PRO HB2 H 1.770 0.05 2 1258 145 145 PRO HB3 H 1.770 0.05 2 1259 145 145 PRO CA C 66.580 0.1 1 1260 145 145 PRO CB C 32.000 0.1 1 1261 146 146 GLU H H 8.472 0.05 1 1262 146 146 GLU HA H 3.684 0.05 1 1263 146 146 GLU HB2 H 1.976 0.05 2 1264 146 146 GLU HB3 H 1.760 0.05 2 1265 146 146 GLU C C 177.900 0.1 1 1266 146 146 GLU CA C 59.990 0.1 1 1267 146 146 GLU CB C 29.250 0.1 1 1268 146 146 GLU N N 115.983 0.1 1 1269 147 147 LYS H H 7.340 0.05 1 1270 147 147 LYS HA H 3.915 0.05 1 1271 147 147 LYS HB2 H 1.799 0.05 2 1272 147 147 LYS HB3 H 1.799 0.05 2 1273 147 147 LYS CA C 59.650 0.1 1 1274 147 147 LYS CB C 32.660 0.1 1 1275 147 147 LYS N N 119.089 0.1 1 1276 148 148 ARG H H 8.123 0.05 1 1277 148 148 ARG HA H 4.024 0.05 1 1278 148 148 ARG HB2 H 1.818 0.05 1 1279 148 148 ARG HB3 H 1.818 0.05 1 1280 148 148 ARG C C 178.500 0.1 1 1281 148 148 ARG CA C 59.110 0.1 1 1282 148 148 ARG CB C 29.840 0.1 1 1283 148 148 ARG N N 119.700 0.1 1 1284 149 149 VAL H H 8.429 0.05 1 1285 149 149 VAL HA H 3.469 0.05 1 1286 149 149 VAL HB H 1.781 0.05 1 1287 149 149 VAL HG1 H 0.772 0.05 1 1288 149 149 VAL HG2 H 0.533 0.05 1 1289 149 149 VAL C C 177.900 0.1 1 1290 149 149 VAL CA C 67.670 0.1 1 1291 149 149 VAL CB C 31.169 0.1 1 1292 149 149 VAL CG2 C 22.796 0.1 1 1293 149 149 VAL N N 119.413 0.1 1 1294 150 150 ASN H H 8.374 0.05 1 1295 150 150 ASN HA H 4.404 0.05 1 1296 150 150 ASN HB2 H 2.994 0.05 2 1297 150 150 ASN HB3 H 2.722 0.05 2 1298 150 150 ASN C C 177.915 0.1 1 1299 150 150 ASN CA C 56.996 0.1 1 1300 150 150 ASN CB C 38.120 0.1 1 1301 150 150 ASN N N 118.901 0.1 1 1302 151 151 LYS H H 7.805 0.05 1 1303 151 151 LYS HA H 4.060 0.05 1 1304 151 151 LYS HB2 H 2.000 0.05 2 1305 151 151 LYS HB3 H 2.000 0.05 2 1306 151 151 LYS C C 179.000 0.1 1 1307 151 151 LYS CA C 60.150 0.1 1 1308 151 151 LYS CB C 32.350 0.1 1 1309 151 151 LYS N N 119.689 0.1 1 1310 152 152 ILE H H 7.874 0.05 1 1311 152 152 ILE HA H 3.684 0.05 1 1312 152 152 ILE HB H 1.904 0.05 1 1313 152 152 ILE HD1 H 0.666 0.05 1 1314 152 152 ILE HG12 H 1.781 0.05 2 1315 152 152 ILE HG13 H 0.960 0.05 2 1316 152 152 ILE HG2 H 0.641 0.05 1 1317 152 152 ILE C C 177.734 0.1 1 1318 152 152 ILE CA C 65.740 0.1 1 1319 152 152 ILE CB C 38.025 0.1 1 1320 152 152 ILE CD1 C 13.380 0.1 1 1321 152 152 ILE CG2 C 16.764 0.1 1 1322 152 152 ILE N N 121.385 0.1 1 1323 153 153 PHE H H 8.695 0.05 1 1324 153 153 PHE HA H 3.696 0.05 1 1325 153 153 PHE HB2 H 3.249 0.05 2 1326 153 153 PHE HB3 H 2.954 0.05 2 1327 153 153 PHE HD1 H 7.193 0.05 3 1328 153 153 PHE HD2 H 7.193 0.05 3 1329 153 153 PHE C C 178.500 0.1 1 1330 153 153 PHE CA C 63.600 0.1 1 1331 153 153 PHE CB C 37.821 0.1 1 1332 153 153 PHE N N 119.986 0.1 1 1333 154 154 ASN H H 8.361 0.05 1 1334 154 154 ASN HA H 4.580 0.05 1 1335 154 154 ASN HB2 H 2.951 0.05 2 1336 154 154 ASN HB3 H 2.824 0.05 2 1337 154 154 ASN C C 179.100 0.1 1 1338 154 154 ASN CA C 56.780 0.1 1 1339 154 154 ASN CB C 38.830 0.1 1 1340 154 154 ASN N N 116.312 0.1 1 1341 155 155 MET H H 8.378 0.05 1 1342 155 155 MET HA H 4.127 0.05 1 1343 155 155 MET HB2 H 2.308 0.05 2 1344 155 155 MET HB3 H 2.084 0.05 2 1345 155 155 MET HE H 1.999 0.05 1 1346 155 155 MET C C 177.100 0.1 1 1347 155 155 MET CA C 58.822 0.1 1 1348 155 155 MET CB C 33.060 0.1 1 1349 155 155 MET CE C 16.955 0.1 1 1350 155 155 MET N N 120.722 0.1 1 1351 156 156 MET H H 7.370 0.05 1 1352 156 156 MET HA H 4.566 0.05 1 1353 156 156 MET HB2 H 2.056 0.05 2 1354 156 156 MET HB3 H 1.676 0.05 2 1355 156 156 MET HE H 1.881 0.05 1 1356 156 156 MET C C 174.700 0.1 1 1357 156 156 MET CA C 53.800 0.1 1 1358 156 156 MET CB C 31.480 0.1 1 1359 156 156 MET CE C 16.981 0.1 1 1360 156 156 MET N N 115.378 0.1 1 1361 157 157 ASP H H 7.993 0.05 1 1362 157 157 ASP HA H 4.311 0.05 1 1363 157 157 ASP HB2 H 3.004 0.05 2 1364 157 157 ASP HB3 H 2.503 0.05 2 1365 157 157 ASP C C 174.800 0.1 1 1366 157 157 ASP CA C 55.270 0.1 1 1367 157 157 ASP CB C 39.540 0.1 1 1368 157 157 ASP N N 118.114 0.1 1 1369 158 158 LYS H H 8.012 0.05 1 1370 158 158 LYS HA H 4.610 0.05 1 1371 158 158 LYS HB2 H 1.738 0.05 2 1372 158 158 LYS HB3 H 1.410 0.05 2 1373 158 158 LYS C C 175.900 0.1 1 1374 158 158 LYS CA C 54.042 0.05 1 1375 158 158 LYS CB C 35.710 0.05 1 1376 158 158 LYS N N 116.994 0.1 1 1377 159 159 ASN H H 8.471 0.05 1 1378 159 159 ASN HA H 4.770 0.05 1 1379 159 159 ASN HB2 H 2.861 0.05 2 1380 159 159 ASN HB3 H 2.861 0.05 2 1381 159 159 ASN CA C 52.140 0.1 1 1382 159 159 ASN CB C 39.680 0.1 1 1383 159 159 ASN N N 120.579 0.1 1 1384 160 160 LYS H H 8.252 0.05 1 1385 160 160 LYS HA H 3.480 0.05 1 1386 160 160 LYS HB2 H 1.218 0.05 2 1387 160 160 LYS HB3 H 1.173 0.05 2 1388 160 160 LYS C C 176.000 0.1 1 1389 160 160 LYS CA C 58.762 0.1 1 1390 160 160 LYS CB C 31.286 0.1 1 1391 160 160 LYS N N 118.715 0.1 1 1392 161 161 ASP H H 8.039 0.05 1 1393 161 161 ASP HA H 4.626 0.05 1 1394 161 161 ASP HB2 H 2.668 0.05 2 1395 161 161 ASP HB3 H 2.668 0.05 2 1396 161 161 ASP C C 176.620 0.1 1 1397 161 161 ASP CA C 53.890 0.1 1 1398 161 161 ASP CB C 40.290 0.1 1 1399 161 161 ASP N N 117.306 0.1 1 1400 162 162 GLY H H 8.237 0.05 1 1401 162 162 GLY HA2 H 4.352 0.05 2 1402 162 162 GLY HA3 H 3.746 0.05 2 1403 162 162 GLY C C 172.600 0.1 1 1404 162 162 GLY CA C 44.630 0.1 1 1405 162 162 GLY N N 108.729 0.1 1 1406 163 163 GLN H H 8.268 0.05 1 1407 163 163 GLN HA H 5.103 0.05 1 1408 163 163 GLN HB2 H 1.902 0.05 2 1409 163 163 GLN HB3 H 1.788 0.05 2 1410 163 163 GLN C C 174.800 0.1 1 1411 163 163 GLN CA C 54.470 0.1 1 1412 163 163 GLN CB C 33.720 0.1 1 1413 163 163 GLN N N 116.581 0.1 1 1414 164 164 LEU H H 8.981 0.05 1 1415 164 164 LEU HA H 4.937 0.05 1 1416 164 164 LEU HB2 H 1.595 0.05 2 1417 164 164 LEU HB3 H 1.595 0.05 2 1418 164 164 LEU HD1 H 0.562 0.05 1 1419 164 164 LEU HD2 H 0.293 0.05 1 1420 164 164 LEU HG H 1.303 0.05 1 1421 164 164 LEU C C 177.200 0.1 1 1422 164 164 LEU CA C 53.420 0.1 1 1423 164 164 LEU CB C 44.620 0.1 1 1424 164 164 LEU CD1 C 26.731 0.1 1 1425 164 164 LEU CD2 C 23.855 0.1 1 1426 164 164 LEU N N 120.609 0.1 1 1427 165 165 THR H H 8.796 0.05 1 1428 165 165 THR HA H 5.147 0.05 1 1429 165 165 THR HB H 4.725 0.05 1 1430 165 165 THR HG2 H 1.266 0.05 1 1431 165 165 THR C C 175.300 0.1 1 1432 165 165 THR CA C 60.480 0.1 1 1433 165 165 THR CB C 71.460 0.1 1 1434 165 165 THR CG2 C 22.009 0.1 1 1435 165 165 THR N N 112.099 0.1 1 1436 166 166 LEU H H 7.806 0.05 1 1437 166 166 LEU HA H 3.085 0.05 1 1438 166 166 LEU HB2 H 1.361 0.05 2 1439 166 166 LEU HB3 H 0.542 0.05 2 1440 166 166 LEU HD1 H 0.624 0.05 1 1441 166 166 LEU HD2 H 0.227 0.05 1 1442 166 166 LEU HG H 1.056 0.05 1 1443 166 166 LEU C C 178.800 0.1 1 1444 166 166 LEU CA C 58.720 0.1 1 1445 166 166 LEU CB C 41.040 0.1 1 1446 166 166 LEU CD1 C 25.376 0.1 1 1447 166 166 LEU CD2 C 23.489 0.1 1 1448 166 166 LEU N N 121.805 0.1 1 1449 167 167 GLU H H 8.496 0.05 1 1450 167 167 GLU HA H 3.848 0.05 1 1451 167 167 GLU HB2 H 2.196 0.05 2 1452 167 167 GLU HB3 H 1.900 0.05 2 1453 167 167 GLU CA C 60.400 0.1 1 1454 167 167 GLU CB C 29.380 0.1 1 1455 167 167 GLU N N 118.515 0.1 1 1456 168 168 GLU H H 7.708 0.05 1 1457 168 168 GLU HA H 3.870 0.05 1 1458 168 168 GLU C C 178.892 0.1 1 1459 168 168 GLU CA C 59.020 0.1 1 1460 168 168 GLU CB C 31.180 0.1 1 1461 168 168 GLU N N 119.389 0.1 1 1462 169 169 PHE H H 8.917 0.05 1 1463 169 169 PHE HA H 4.030 0.05 1 1464 169 169 PHE HB2 H 3.330 0.05 2 1465 169 169 PHE HB3 H 3.105 0.05 2 1466 169 169 PHE HD1 H 7.268 0.05 3 1467 169 169 PHE HD2 H 7.268 0.05 3 1468 169 169 PHE C C 178.100 0.1 1 1469 169 169 PHE CA C 61.460 0.1 1 1470 169 169 PHE CB C 39.624 0.1 1 1471 169 169 PHE N N 119.803 0.1 1 1472 170 170 CYS H H 8.698 0.05 1 1473 170 170 CYS HA H 3.789 0.05 1 1474 170 170 CYS HB2 H 2.995 0.05 2 1475 170 170 CYS HB3 H 2.625 0.05 2 1476 170 170 CYS C C 175.900 0.1 1 1477 170 170 CYS CA C 64.220 0.1 1 1478 170 170 CYS CB C 26.860 0.1 1 1479 170 170 CYS N N 118.904 0.1 1 1480 171 171 GLU H H 8.374 0.05 1 1481 171 171 GLU HA H 3.804 0.05 1 1482 171 171 GLU HB2 H 1.936 0.05 2 1483 171 171 GLU HB3 H 1.936 0.05 2 1484 171 171 GLU C C 179.100 0.1 1 1485 171 171 GLU CA C 58.896 0.1 1 1486 171 171 GLU CB C 29.240 0.1 1 1487 171 171 GLU N N 118.506 0.1 1 1488 172 172 GLY H H 8.660 0.05 1 1489 172 172 GLY HA2 H 3.590 0.05 2 1490 172 172 GLY HA3 H 3.398 0.05 2 1491 172 172 GLY C C 175.400 0.1 1 1492 172 172 GLY CA C 47.640 0.1 1 1493 172 172 GLY N N 106.127 0.1 1 1494 173 173 SER H H 7.427 0.05 1 1495 173 173 SER HA H 3.875 0.05 1 1496 173 173 SER HB2 H 3.526 0.05 2 1497 173 173 SER HB3 H 3.177 0.05 2 1498 173 173 SER C C 175.200 0.1 1 1499 173 173 SER CA C 63.670 0.1 1 1500 173 173 SER N N 116.011 0.1 1 1501 174 174 LYS H H 7.186 0.05 1 1502 174 174 LYS HA H 3.656 0.05 1 1503 174 174 LYS HB2 H 1.642 0.05 2 1504 174 174 LYS HB3 H 1.642 0.05 2 1505 174 174 LYS C C 176.900 0.1 1 1506 174 174 LYS CA C 58.560 0.1 1 1507 174 174 LYS CB C 31.770 0.1 1 1508 174 174 LYS N N 115.213 0.1 1 1509 175 175 ARG H H 7.121 0.05 1 1510 175 175 ARG HA H 4.062 0.05 1 1511 175 175 ARG HB2 H 2.025 0.05 2 1512 175 175 ARG HB3 H 1.804 0.05 2 1513 175 175 ARG C C 175.100 0.1 1 1514 175 175 ARG CA C 56.530 0.1 1 1515 175 175 ARG CB C 30.580 0.1 1 1516 175 175 ARG N N 116.414 0.1 1 1517 176 176 ASP H H 7.368 0.05 1 1518 176 176 ASP HA H 5.084 0.05 1 1519 176 176 ASP HB2 H 3.190 0.05 2 1520 176 176 ASP HB3 H 2.266 0.05 2 1521 176 176 ASP CA C 50.430 0.1 1 1522 176 176 ASP CB C 42.530 0.1 1 1523 176 176 ASP N N 121.403 0.1 1 1524 177 177 PRO HA H 4.166 0.05 1 1525 177 177 PRO HB2 H 2.268 0.05 2 1526 177 177 PRO HB3 H 1.979 0.05 2 1527 177 177 PRO C C 179.400 0.1 1 1528 177 177 PRO CA C 64.530 0.1 1 1529 178 178 THR H H 8.336 0.05 1 1530 178 178 THR HA H 3.988 0.05 1 1531 178 178 THR HB H 4.189 0.05 1 1532 178 178 THR HG2 H 1.160 0.05 1 1533 178 178 THR C C 174.870 0.1 1 1534 178 178 THR CA C 66.160 0.1 1 1535 178 178 THR CB C 67.920 0.1 1 1536 178 178 THR CG2 C 22.858 0.1 1 1537 178 178 THR N N 115.502 0.1 1 1538 179 179 ILE H H 7.588 0.05 1 1539 179 179 ILE HA H 3.466 0.05 1 1540 179 179 ILE HB H 2.369 0.05 1 1541 179 179 ILE HD1 H 0.838 0.05 1 1542 179 179 ILE HG12 H 1.611 0.05 2 1543 179 179 ILE HG13 H 1.611 0.05 2 1544 179 179 ILE HG2 H 0.667 0.05 1 1545 179 179 ILE C C 177.400 0.1 1 1546 179 179 ILE CA C 65.940 0.1 1 1547 179 179 ILE CB C 36.250 0.1 1 1548 179 179 ILE CD1 C 12.375 0.1 1 1549 179 179 ILE CG2 C 16.764 0.1 1 1550 179 179 ILE N N 124.097 0.1 1 1551 180 180 VAL H H 7.504 0.05 1 1552 180 180 VAL HA H 3.281 0.05 1 1553 180 180 VAL HB H 1.968 0.05 1 1554 180 180 VAL HG1 H 0.974 0.05 1 1555 180 180 VAL HG2 H 0.845 0.05 1 1556 180 180 VAL C C 179.473 0.1 1 1557 180 180 VAL CA C 67.440 0.1 1 1558 180 180 VAL CB C 31.614 0.1 1 1559 180 180 VAL CG1 C 23.257 0.1 1 1560 180 180 VAL CG2 C 21.118 0.1 1 1561 180 180 VAL N N 117.712 0.1 1 1562 181 181 SER H H 8.150 0.05 1 1563 181 181 SER HA H 4.033 0.05 1 1564 181 181 SER HB2 H 3.827 0.05 2 1565 181 181 SER HB3 H 3.827 0.05 2 1566 181 181 SER C C 176.800 0.1 1 1567 181 181 SER CA C 62.060 0.1 1 1568 181 181 SER CB C 62.900 0.1 1 1569 181 181 SER N N 115.784 0.1 1 1570 182 182 ALA H H 8.092 0.05 1 1571 182 182 ALA HA H 3.888 0.05 1 1572 182 182 ALA HB H 1.440 0.05 1 1573 182 182 ALA C C 178.100 0.1 1 1574 182 182 ALA CA C 55.210 0.1 1 1575 182 182 ALA CB C 18.931 0.1 1 1576 182 182 ALA N N 123.702 0.1 1 1577 183 183 LEU H H 7.613 0.05 1 1578 183 183 LEU HA H 4.283 0.05 1 1579 183 183 LEU HB2 H 1.702 0.05 2 1580 183 183 LEU HB3 H 1.582 0.05 2 1581 183 183 LEU C C 176.868 0.1 1 1582 183 183 LEU CA C 55.570 0.1 1 1583 183 183 LEU CB C 41.720 0.1 1 1584 183 183 LEU CD1 C 22.81 0.1 1 1585 183 183 LEU CD2 C 22.81 0.1 1 1586 183 183 LEU N N 112.318 0.1 1 1587 184 184 SER H H 7.541 0.05 1 1588 184 184 SER HA H 4.842 0.05 1 1589 184 184 SER HB2 H 3.911 0.05 2 1590 184 184 SER HB3 H 3.911 0.05 2 1591 184 184 SER C C 175.000 0.1 1 1592 184 184 SER CA C 57.570 0.1 1 1593 184 184 SER CB C 64.040 0.1 1 1594 184 184 SER N N 113.509 0.1 1 1595 185 185 LEU H H 7.570 0.05 1 1596 185 185 LEU HA H 3.946 0.05 1 1597 185 185 LEU HB2 H 1.637 0.05 2 1598 185 185 LEU HB3 H 1.246 0.05 2 1599 185 185 LEU C C 178.166 0.1 1 1600 185 185 LEU CA C 57.800 0.1 1 1601 185 185 LEU CB C 42.780 0.1 1 1602 185 185 LEU N N 123.997 0.1 1 1603 186 186 TYR H H 8.573 0.05 1 1604 186 186 TYR HA H 4.223 0.05 1 1605 186 186 TYR HB2 H 3.017 0.05 2 1606 186 186 TYR HB3 H 2.808 0.05 2 1607 186 186 TYR HD1 H 6.859 0.05 3 1608 186 186 TYR HD2 H 6.859 0.05 3 1609 186 186 TYR HE1 H 6.555 0.05 3 1610 186 186 TYR HE2 H 6.555 0.05 3 1611 186 186 TYR C C 176.000 0.1 1 1612 186 186 TYR CA C 59.410 0.1 1 1613 186 186 TYR CB C 38.138 0.1 1 1614 186 186 TYR N N 116.992 0.1 1 1615 187 187 ASP H H 7.642 0.05 1 1616 187 187 ASP HA H 4.316 0.05 1 1617 187 187 ASP HB2 H 2.602 0.05 2 1618 187 187 ASP HB3 H 2.602 0.05 2 1619 187 187 ASP C C 177.200 0.1 1 1620 187 187 ASP CA C 56.060 0.1 1 1621 187 187 ASP CB C 40.700 0.1 1 1622 187 187 ASP N N 119.193 0.1 1 1623 188 188 GLY H H 7.961 0.05 1 1624 188 188 GLY HA2 H 3.980 0.05 2 1625 188 188 GLY HA3 H 3.843 0.05 2 1626 188 188 GLY C C 174.400 0.1 1 1627 188 188 GLY CA C 45.490 0.1 1 1628 188 188 GLY N N 106.981 0.1 1 1629 189 189 LEU H H 7.724 0.05 1 1630 189 189 LEU HA H 4.291 0.05 1 1631 189 189 LEU HB2 H 1.609 0.05 2 1632 189 189 LEU HB3 H 1.487 0.05 2 1633 189 189 LEU HD1 H 0.721 0.05 1 1634 189 189 LEU HD2 H 0.721 0.05 1 1635 189 189 LEU C C 176.099 0.1 1 1636 189 189 LEU CA C 55.500 0.1 1 1637 189 189 LEU CB C 43.080 0.1 1 1638 189 189 LEU CD1 C 23.356 0.1 1 1639 189 189 LEU CD2 C 23.356 0.1 1 1640 189 189 LEU N N 120.717 0.1 1 1641 190 190 VAL H H 7.205 0.05 1 1642 190 190 VAL HA H 3.934 0.05 1 1643 190 190 VAL HB H 1.951 0.05 1 1644 190 190 VAL HG1 H 0.7 0.05 1 1645 190 190 VAL HG2 H 0.7 0.05 1 1646 190 190 VAL CA C 63.180 0.1 1 1647 190 190 VAL CB C 33.316 0.1 1 1648 190 190 VAL CG1 C 20.746 0.1 1 1649 190 190 VAL CG2 C 20.746 0.1 1 1650 190 190 VAL N N 120.692 0.1 1 stop_ save_