data_17953 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of protoporphyrin-IX bound murine p22HBP ; _BMRB_accession_number 17953 _BMRB_flat_file_name bmr17953.str _Entry_type original _Submission_date 2011-09-22 _Accession_date 2011-09-22 _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 Goodfellow Brian James. . 2 Dias J. S. . 3 Macedo A. L. . 4 Ferreira G. C. . 5 Peterson F. C. . 6 Volkman B. F. . 7 Duarte I. C.N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 881 "13C chemical shifts" 639 "15N chemical shifts" 166 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-09-24 original author . stop_ _Original_release_date 2012-09-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The NMR Structure of protoporphyrin-IX bound murine p22HBP' _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 Goodfellow Brian James. . 2 Dias J. S. . 3 Macedo A. L. . 4 Ferreira G. C. . 5 Peterson F. C. . 6 Volkman B. F. . 7 Duarte I. C.N. . stop_ _Journal_abbreviation 'to be published' _Journal_name_full 'to be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NMR Structure of protoporphyrin-IX bound murine p22HBP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HEME-BINDING PROTEIN 1' $HEME-BINDING_PROTEIN_1 stop_ _System_molecular_weight 21737.3322 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HEME-BINDING_PROTEIN_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HEME-BINDING_PROTEIN_1 _Molecular_mass 21737.3322 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 195 _Mol_residue_sequence ; MKNSTHHHHHHNSLFGSVET WPWQVLSTGGKEDVSYEERA CEGGKFATVEVTDKPVDEAL REAMPKIMKYVGGTNDKGVG MGMTVPVSFAVFPNEDGSLQ KKLKVWFRIPNQFQGSPPAP SDESVKIEEREGITVYSTQF GGYAKEADYVAHATQLRTTL EGTPATYQGDVYYCAGYDPP MKPYGRRNEVWLVKA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 MET 2 -3 LYS 3 -2 ASN 4 -1 SER 5 0 THR 6 1 HIS 7 2 HIS 8 3 HIS 9 4 HIS 10 5 HIS 11 6 HIS 12 7 ASN 13 8 SER 14 9 LEU 15 10 PHE 16 11 GLY 17 12 SER 18 13 VAL 19 14 GLU 20 15 THR 21 16 TRP 22 17 PRO 23 18 TRP 24 19 GLN 25 20 VAL 26 21 LEU 27 22 SER 28 23 THR 29 24 GLY 30 25 GLY 31 26 LYS 32 27 GLU 33 28 ASP 34 29 VAL 35 30 SER 36 31 TYR 37 32 GLU 38 33 GLU 39 34 ARG 40 35 ALA 41 36 CYS 42 37 GLU 43 38 GLY 44 39 GLY 45 40 LYS 46 41 PHE 47 42 ALA 48 43 THR 49 44 VAL 50 45 GLU 51 46 VAL 52 47 THR 53 48 ASP 54 49 LYS 55 50 PRO 56 51 VAL 57 52 ASP 58 53 GLU 59 54 ALA 60 55 LEU 61 56 ARG 62 57 GLU 63 58 ALA 64 59 MET 65 60 PRO 66 61 LYS 67 62 ILE 68 63 MET 69 64 LYS 70 65 TYR 71 66 VAL 72 67 GLY 73 68 GLY 74 69 THR 75 70 ASN 76 71 ASP 77 72 LYS 78 73 GLY 79 74 VAL 80 75 GLY 81 76 MET 82 77 GLY 83 78 MET 84 79 THR 85 80 VAL 86 81 PRO 87 82 VAL 88 83 SER 89 84 PHE 90 85 ALA 91 86 VAL 92 87 PHE 93 88 PRO 94 89 ASN 95 90 GLU 96 91 ASP 97 92 GLY 98 93 SER 99 94 LEU 100 95 GLN 101 96 LYS 102 97 LYS 103 98 LEU 104 99 LYS 105 100 VAL 106 101 TRP 107 102 PHE 108 103 ARG 109 104 ILE 110 105 PRO 111 106 ASN 112 107 GLN 113 108 PHE 114 109 GLN 115 110 GLY 116 111 SER 117 112 PRO 118 113 PRO 119 114 ALA 120 115 PRO 121 116 SER 122 117 ASP 123 118 GLU 124 119 SER 125 120 VAL 126 121 LYS 127 122 ILE 128 123 GLU 129 124 GLU 130 125 ARG 131 126 GLU 132 127 GLY 133 128 ILE 134 129 THR 135 130 VAL 136 131 TYR 137 132 SER 138 133 THR 139 134 GLN 140 135 PHE 141 136 GLY 142 137 GLY 143 138 TYR 144 139 ALA 145 140 LYS 146 141 GLU 147 142 ALA 148 143 ASP 149 144 TYR 150 145 VAL 151 146 ALA 152 147 HIS 153 148 ALA 154 149 THR 155 150 GLN 156 151 LEU 157 152 ARG 158 153 THR 159 154 THR 160 155 LEU 161 156 GLU 162 157 GLY 163 158 THR 164 159 PRO 165 160 ALA 166 161 THR 167 162 TYR 168 163 GLN 169 164 GLY 170 165 ASP 171 166 VAL 172 167 TYR 173 168 TYR 174 169 CYS 175 170 ALA 176 171 GLY 177 172 TYR 178 173 ASP 179 174 PRO 180 175 PRO 181 176 MET 182 177 LYS 183 178 PRO 184 179 TYR 185 180 GLY 186 181 ARG 187 182 ARG 188 183 ASN 189 184 GLU 190 185 VAL 191 186 TRP 192 187 LEU 193 188 VAL 194 189 LYS 195 190 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 2GOV "Solution Structure Of Murine P22hbp" 100.00 195 99.49 99.49 5.38e-142 PDB 2HVA "Solution Structure Of The Haem-Binding Protein P22hbp" 94.87 192 99.46 99.46 8.93e-133 PDB 4A1M "Nmr Structure Of Protoporphyrin-Ix Bound Murine P22hbp" 100.00 195 100.00 100.00 6.37e-143 DBJ BAA33770 "heme-binding protein [Mus musculus]" 94.87 190 98.92 98.92 5.23e-132 EMBL CAJ18470 "Hebp1 [Mus musculus]" 94.87 190 99.46 99.46 9.49e-133 GB AAD32096 "heme-binding protein [Mus musculus]" 94.87 190 99.46 99.46 9.49e-133 GB AAH12654 "Heme binding protein 1 [Mus musculus]" 94.87 190 99.46 99.46 9.49e-133 GB AAI68221 "Hebp1 protein [Rattus norvegicus]" 94.87 190 97.30 98.38 8.40e-131 GB EDL10544 "heme binding protein 1 [Mus musculus]" 94.87 190 99.46 99.46 9.49e-133 GB EDM01631 "heme binding protein 1 (predicted), isoform CRA_a [Rattus norvegicus]" 94.87 190 97.30 98.38 8.40e-131 REF NP_038574 "heme-binding protein 1 [Mus musculus]" 94.87 190 98.92 99.46 1.87e-132 REF XP_006237591 "PREDICTED: heme-binding protein 1 isoform X1 [Rattus norvegicus]" 94.87 190 97.30 98.38 8.40e-131 REF XP_011239526 "PREDICTED: heme-binding protein 1 isoform X1 [Mus musculus]" 84.62 224 99.39 100.00 4.03e-116 SP Q9R257 "RecName: Full=Heme-binding protein 1; AltName: Full=p22HBP" 94.87 190 98.92 99.46 1.87e-132 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HEME-BINDING_PROTEIN_1 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 _Details $HEME-BINDING_PROTEIN_1 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) PJN2 'recombinant protein starts at residue N7' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'HBP 1mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HEME-BINDING_PROTEIN_1 1 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address AutoDep . . stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version any loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_DMX-600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D/3D_15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D/3D 15N NOESY' _Sample_label $sample_1 save_ save_2D/3D_13C_NOESY_(aliphatic_and_aromatic)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D/3D 13C NOESY (aliphatic and aromatic)' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [8.0], temp [303], pressure [1], ionStrength [150.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150.000 . mM pH 8.000 . pH pressure 1.000 . atm temperature 303.000 . 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 H 1 'methyl protons' ppm 0.0 external direct cylindrical 'e.g. separate NMR sample tube similar to the experimental one' . 1 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 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4a1m/ebi/deposit2_1.bmrb.csh' loop_ _Experiment_label '2D/3D 15N NOESY' '2D/3D 13C NOESY (aliphatic and aromatic)' 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 'HEME-BINDING PROTEIN 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 9 14 LEU H H 8.855 0.000 1 2 9 14 LEU N N 117.073 0.000 1 3 10 15 PHE H H 8.784 0.000 1 4 10 15 PHE HA H 5.142 0.000 1 5 10 15 PHE HB2 H 3.450 0.000 2 6 10 15 PHE HB3 H 3.177 0.000 2 7 10 15 PHE CA C 54.399 0.000 1 8 10 15 PHE N N 132.506 0.000 1 9 13 18 VAL HB H 2.033 0.000 1 10 13 18 VAL CG1 C 18.892 0.000 2 11 14 19 GLU H H 7.283 0.000 1 12 14 19 GLU HA H 3.254 0.000 1 13 14 19 GLU N N 119.121 0.000 1 14 15 20 THR HB H 4.152 0.000 1 15 15 20 THR HG2 H 1.128 0.000 . 16 15 20 THR CB C 70.012 0.000 1 17 16 21 TRP HB2 H 3.450 0.000 2 18 16 21 TRP HB3 H 3.450 0.000 2 19 16 21 TRP HD1 H 7.941 0.000 1 20 16 21 TRP HE1 H 10.764 0.000 1 21 16 21 TRP HZ2 H 7.385 0.000 1 22 16 21 TRP HH2 H 7.013 0.000 1 23 16 21 TRP CD1 C 124.436 0.000 1 24 16 21 TRP CZ2 C 112.450 0.000 1 25 16 21 TRP NE1 N 128.651 0.000 1 26 17 22 PRO C C 175.545 0.000 1 27 18 23 TRP H H 8.760 0.000 1 28 18 23 TRP HA H 5.394 0.000 1 29 18 23 TRP HB2 H 3.452 0.000 2 30 18 23 TRP HB3 H 2.658 0.000 2 31 18 23 TRP HD1 H 6.556 0.000 1 32 18 23 TRP HE1 H 10.486 0.000 1 33 18 23 TRP HZ2 H 7.507 0.000 1 34 18 23 TRP HH2 H 7.028 0.000 1 35 18 23 TRP C C 174.569 0.000 1 36 18 23 TRP CA C 55.043 0.000 1 37 18 23 TRP CB C 31.844 0.000 1 38 18 23 TRP CD1 C 123.359 0.000 1 39 18 23 TRP CZ2 C 113.800 0.000 1 40 18 23 TRP N N 124.414 0.000 1 41 18 23 TRP NE1 N 130.914 0.000 1 42 19 24 GLN H H 8.247 0.000 1 43 19 24 GLN HA H 4.898 0.000 1 44 19 24 GLN HB2 H 1.964 0.000 2 45 19 24 GLN HB3 H 2.077 0.000 2 46 19 24 GLN HG2 H 2.210 0.000 2 47 19 24 GLN HG3 H 2.210 0.000 2 48 19 24 GLN C C 175.542 0.000 1 49 19 24 GLN CA C 53.825 0.000 1 50 19 24 GLN CB C 32.343 0.000 1 51 19 24 GLN N N 117.539 0.000 1 52 20 25 VAL H H 9.284 0.000 1 53 20 25 VAL HA H 4.162 0.000 1 54 20 25 VAL HB H 2.092 0.000 1 55 20 25 VAL HG1 H 1.028 0.000 . 56 20 25 VAL HG2 H 0.863 0.000 . 57 20 25 VAL C C 176.155 0.000 1 58 20 25 VAL CA C 63.819 0.000 1 59 20 25 VAL CB C 31.446 0.000 1 60 20 25 VAL CG1 C 22.777 0.000 2 61 20 25 VAL CG2 C 21.794 0.000 2 62 20 25 VAL N N 127.079 0.000 1 63 21 26 LEU H H 9.356 0.000 1 64 21 26 LEU HA H 4.332 0.000 1 65 21 26 LEU HB2 H 1.482 0.000 2 66 21 26 LEU HB3 H 1.482 0.000 2 67 21 26 LEU HG H 1.585 0.000 1 68 21 26 LEU HD1 H 0.800 0.000 . 69 21 26 LEU C C 177.660 0.000 1 70 21 26 LEU CA C 55.845 0.000 1 71 21 26 LEU CB C 42.815 0.000 1 72 21 26 LEU CG C 27.144 0.000 1 73 21 26 LEU CD1 C 23.964 0.000 2 74 21 26 LEU CD2 C 25.354 0.000 2 75 21 26 LEU N N 130.153 0.000 1 76 22 27 SER H H 7.821 0.000 1 77 22 27 SER HA H 4.666 0.000 1 78 22 27 SER HB2 H 4.167 0.000 2 79 22 27 SER HB3 H 3.995 0.000 2 80 22 27 SER C C 171.855 0.000 1 81 22 27 SER CA C 58.633 0.000 1 82 22 27 SER CB C 64.786 0.000 1 83 22 27 SER N N 111.329 0.000 1 84 23 28 THR H H 8.199 0.000 1 85 23 28 THR HA H 4.797 0.000 1 86 23 28 THR HB H 4.273 0.000 1 87 23 28 THR HG2 H 1.201 0.000 . 88 23 28 THR C C 173.062 0.000 1 89 23 28 THR CA C 60.200 0.000 1 90 23 28 THR CB C 72.323 0.000 1 91 23 28 THR CG2 C 22.085 0.000 1 92 23 28 THR N N 110.819 0.000 1 93 24 29 GLY H H 7.286 0.000 1 94 24 29 GLY HA2 H 4.118 0.000 2 95 24 29 GLY HA3 H 3.521 0.000 2 96 24 29 GLY C C 171.927 0.000 1 97 24 29 GLY CA C 45.144 0.000 1 98 24 29 GLY N N 107.750 0.000 1 99 25 30 GLY H H 8.271 0.000 1 100 25 30 GLY HA2 H 4.674 0.000 2 101 25 30 GLY HA3 H 3.915 0.000 2 102 25 30 GLY C C 172.612 0.000 1 103 25 30 GLY CA C 45.703 0.000 1 104 25 30 GLY N N 107.520 0.000 1 105 26 31 LYS H H 8.282 0.000 1 106 26 31 LYS HA H 4.497 0.000 1 107 26 31 LYS HB2 H 1.948 0.000 2 108 26 31 LYS HB3 H 1.948 0.000 2 109 26 31 LYS HG2 H 1.460 0.000 2 110 26 31 LYS HG3 H 1.460 0.000 2 111 26 31 LYS C C 175.514 0.000 1 112 26 31 LYS CA C 56.432 0.000 1 113 26 31 LYS CB C 35.447 0.000 1 114 26 31 LYS CG C 25.053 0.000 1 115 26 31 LYS CD C 30.219 0.000 1 116 26 31 LYS CE C 42.500 0.000 1 117 26 31 LYS N N 119.701 0.000 1 118 27 32 GLU H H 7.904 0.000 1 119 27 32 GLU HA H 4.677 0.000 1 120 27 32 GLU HB2 H 1.618 0.000 2 121 27 32 GLU HB3 H 1.618 0.000 2 122 27 32 GLU C C 176.001 0.000 1 123 27 32 GLU CA C 55.144 0.000 1 124 27 32 GLU CB C 32.978 0.000 1 125 27 32 GLU N N 121.776 0.000 1 126 28 33 ASP H H 8.637 0.000 1 127 28 33 ASP HA H 4.610 0.000 1 128 28 33 ASP HB2 H 2.807 0.000 2 129 28 33 ASP HB3 H 2.807 0.000 2 130 28 33 ASP C C 175.532 0.000 1 131 28 33 ASP CA C 55.172 0.000 1 132 28 33 ASP CB C 40.734 0.000 1 133 28 33 ASP N N 118.788 0.000 1 134 29 34 VAL H H 7.905 0.000 1 135 29 34 VAL HA H 4.391 0.000 1 136 29 34 VAL HB H 2.237 0.000 1 137 29 34 VAL HG1 H 0.932 0.000 . 138 29 34 VAL C C 174.847 0.000 1 139 29 34 VAL CA C 62.596 0.000 1 140 29 34 VAL CB C 32.597 0.000 1 141 29 34 VAL CG1 C 21.454 0.000 2 142 29 34 VAL N N 121.701 0.000 1 143 30 35 SER H H 8.778 0.000 1 144 30 35 SER HA H 5.240 0.000 1 145 30 35 SER HB2 H 3.893 0.000 2 146 30 35 SER HB3 H 3.893 0.000 2 147 30 35 SER C C 173.459 0.000 1 148 30 35 SER CA C 57.562 0.000 1 149 30 35 SER CB C 65.822 0.000 1 150 30 35 SER N N 122.123 0.000 1 151 31 36 TYR H H 8.603 0.000 1 152 31 36 TYR HA H 5.964 0.000 1 153 31 36 TYR HB2 H 2.989 0.000 2 154 31 36 TYR HB3 H 2.566 0.000 2 155 31 36 TYR HD1 H 6.607 0.000 3 156 31 36 TYR HD2 H 6.607 0.000 3 157 31 36 TYR C C 174.315 0.000 1 158 31 36 TYR CA C 56.055 0.000 1 159 31 36 TYR CB C 42.772 0.000 1 160 31 36 TYR CD1 C 132.416 0.000 3 161 31 36 TYR CE1 C 117.932 0.000 3 162 31 36 TYR N N 120.393 0.000 1 163 32 37 GLU H H 8.909 0.000 1 164 32 37 GLU HA H 4.873 0.000 1 165 32 37 GLU HB2 H 2.044 0.000 2 166 32 37 GLU HB3 H 1.770 0.000 2 167 32 37 GLU HG2 H 2.074 0.000 2 168 32 37 GLU HG3 H 2.292 0.000 2 169 32 37 GLU C C 174.361 0.000 1 170 32 37 GLU CA C 54.732 0.000 1 171 32 37 GLU CB C 34.426 0.000 1 172 32 37 GLU CG C 36.653 0.000 1 173 32 37 GLU N N 118.530 0.000 1 174 33 38 GLU H H 9.023 0.000 1 175 33 38 GLU HA H 5.244 0.000 1 176 33 38 GLU HB2 H 1.780 0.000 2 177 33 38 GLU HB3 H 1.780 0.000 2 178 33 38 GLU HG2 H 2.240 0.000 2 179 33 38 GLU HG3 H 2.240 0.000 2 180 33 38 GLU C C 175.803 0.000 1 181 33 38 GLU CA C 54.486 0.000 1 182 33 38 GLU CB C 31.792 0.000 1 183 33 38 GLU CG C 37.275 0.000 1 184 33 38 GLU N N 128.311 0.000 1 185 34 39 ARG H H 9.179 0.000 1 186 34 39 ARG HA H 5.123 0.000 1 187 34 39 ARG HB2 H 1.580 0.000 2 188 34 39 ARG HB3 H 1.580 0.000 2 189 34 39 ARG HG2 H 0.807 0.000 2 190 34 39 ARG HG3 H 0.600 0.000 2 191 34 39 ARG C C 173.982 0.000 1 192 34 39 ARG CA C 53.615 0.000 1 193 34 39 ARG CB C 34.980 0.000 1 194 34 39 ARG N N 125.811 0.000 1 195 35 40 ALA H H 8.909 0.000 1 196 35 40 ALA HA H 4.846 0.000 1 197 35 40 ALA HB H 1.354 0.000 . 198 35 40 ALA CA C 51.048 0.000 1 199 35 40 ALA CB C 18.669 0.000 1 200 35 40 ALA N N 126.055 0.000 1 201 36 41 CYS H H 9.251 0.000 1 202 36 41 CYS HA H 4.766 0.000 1 203 36 41 CYS HB2 H 2.625 0.000 2 204 36 41 CYS HB3 H 2.817 0.000 2 205 36 41 CYS C C 175.545 0.000 1 206 36 41 CYS CA C 57.865 0.000 1 207 36 41 CYS CB C 27.673 0.000 1 208 36 41 CYS N N 125.385 0.000 1 209 37 42 GLU H H 8.757 0.000 1 210 37 42 GLU HA H 4.315 0.000 1 211 37 42 GLU HB2 H 2.170 0.000 2 212 37 42 GLU HB3 H 2.287 0.000 2 213 37 42 GLU HG2 H 2.378 0.000 2 214 37 42 GLU HG3 H 2.528 0.000 2 215 37 42 GLU C C 178.958 0.000 1 216 37 42 GLU CA C 56.423 0.000 1 217 37 42 GLU CB C 31.113 0.000 1 218 37 42 GLU CG C 37.527 0.000 1 219 37 42 GLU N N 124.477 0.000 1 220 38 43 GLY H H 8.883 0.000 1 221 38 43 GLY HA2 H 3.847 0.000 2 222 38 43 GLY HA3 H 4.615 0.000 2 223 38 43 GLY C C 172.125 0.000 1 224 38 43 GLY CA C 44.231 0.000 1 225 38 43 GLY N N 111.879 0.000 1 226 39 44 GLY H H 9.001 0.000 1 227 39 44 GLY HA2 H 3.797 0.000 2 228 39 44 GLY HA3 H 4.457 0.000 2 229 39 44 GLY C C 172.107 0.000 1 230 39 44 GLY CA C 44.020 0.000 1 231 39 44 GLY N N 112.194 0.000 1 232 40 45 LYS H H 9.840 0.000 1 233 40 45 LYS HA H 5.025 0.000 1 234 40 45 LYS HB2 H 1.456 0.000 2 235 40 45 LYS HB3 H 1.573 0.000 2 236 40 45 LYS HG2 H 1.387 0.000 2 237 40 45 LYS HG3 H 1.603 0.000 2 238 40 45 LYS HE2 H 2.995 0.000 2 239 40 45 LYS HE3 H 2.858 0.000 2 240 40 45 LYS C C 176.485 0.000 1 241 40 45 LYS CA C 56.379 0.000 1 242 40 45 LYS CB C 34.071 0.000 1 243 40 45 LYS CG C 26.515 0.000 1 244 40 45 LYS CD C 29.388 0.000 1 245 40 45 LYS CE C 43.485 0.000 1 246 40 45 LYS N N 121.971 0.000 1 247 41 46 PHE H H 9.407 0.000 1 248 41 46 PHE HA H 5.045 0.000 1 249 41 46 PHE HB2 H 2.741 0.000 2 250 41 46 PHE HB3 H 2.859 0.000 2 251 41 46 PHE HD1 H 7.141 0.000 3 252 41 46 PHE HD2 H 7.141 0.000 3 253 41 46 PHE C C 174.441 0.000 1 254 41 46 PHE CA C 56.198 0.000 1 255 41 46 PHE CB C 43.465 0.000 1 256 41 46 PHE CD1 C 132.583 0.000 3 257 41 46 PHE CE1 C 131.400 0.000 3 258 41 46 PHE CZ C 130.365 0.000 1 259 41 46 PHE N N 120.645 0.000 1 260 42 47 ALA H H 9.450 0.000 1 261 42 47 ALA HA H 5.360 0.000 1 262 42 47 ALA HB H 0.977 0.000 . 263 42 47 ALA C C 176.413 0.000 1 264 42 47 ALA CA C 50.191 0.000 1 265 42 47 ALA CB C 19.983 0.000 1 266 42 47 ALA N N 123.466 0.000 1 267 43 48 THR H H 9.299 0.000 1 268 43 48 THR HA H 5.109 0.000 1 269 43 48 THR HB H 3.234 0.000 1 270 43 48 THR HG2 H -0.030 0.000 . 271 43 48 THR C C 173.483 0.000 1 272 43 48 THR CA C 57.400 0.000 1 273 43 48 THR CB C 72.131 0.000 1 274 43 48 THR CG2 C 21.164 0.000 1 275 43 48 THR N N 113.729 0.000 1 276 44 49 VAL H H 6.614 0.000 1 277 44 49 VAL HA H 4.240 0.000 1 278 44 49 VAL HB H 1.390 0.000 1 279 44 49 VAL HG1 H 0.625 0.000 . 280 44 49 VAL C C 173.863 0.000 1 281 44 49 VAL CA C 61.347 0.000 1 282 44 49 VAL CB C 36.537 0.000 1 283 44 49 VAL CG1 C 22.074 0.000 2 284 44 49 VAL CG2 C 22.777 0.000 2 285 44 49 VAL N N 115.742 0.000 1 286 45 50 GLU H H 8.961 0.000 1 287 45 50 GLU HA H 5.107 0.000 1 288 45 50 GLU HB2 H 1.924 0.000 2 289 45 50 GLU HB3 H 1.728 0.000 2 290 45 50 GLU HG2 H 2.209 0.000 2 291 45 50 GLU HG3 H 1.924 0.000 2 292 45 50 GLU C C 174.948 0.000 1 293 45 50 GLU CA C 54.962 0.000 1 294 45 50 GLU CB C 32.376 0.000 1 295 45 50 GLU CG C 37.338 0.000 1 296 45 50 GLU N N 129.795 0.000 1 297 46 51 VAL H H 8.685 0.000 1 298 46 51 VAL HA H 4.417 0.000 1 299 46 51 VAL HB H 1.725 0.000 1 300 46 51 VAL HG1 H 0.802 0.000 . 301 46 51 VAL HG2 H 0.658 0.000 . 302 46 51 VAL C C 175.273 0.000 1 303 46 51 VAL CA C 61.450 0.000 1 304 46 51 VAL CB C 35.641 0.000 1 305 46 51 VAL CG1 C 21.288 0.000 2 306 46 51 VAL CG2 C 22.186 0.000 2 307 46 51 VAL N N 125.695 0.000 1 308 47 52 THR H H 8.727 0.000 1 309 47 52 THR HA H 4.760 0.000 1 310 47 52 THR HB H 4.188 0.000 1 311 47 52 THR HG2 H 1.149 0.000 . 312 47 52 THR C C 173.351 0.000 1 313 47 52 THR CA C 61.073 0.000 1 314 47 52 THR CB C 71.396 0.000 1 315 47 52 THR CG2 C 22.110 0.000 1 316 47 52 THR N N 119.718 0.000 1 317 48 53 ASP H H 8.258 0.000 1 318 48 53 ASP HA H 4.400 0.000 1 319 48 53 ASP HB2 H 2.955 0.000 2 320 48 53 ASP HB3 H 2.955 0.000 2 321 48 53 ASP C C 174.775 0.000 1 322 48 53 ASP CA C 56.822 0.000 1 323 48 53 ASP CB C 39.672 0.000 1 324 48 53 ASP N N 115.182 0.000 1 325 49 54 LYS H H 7.833 0.000 1 326 49 54 LYS HA H 4.925 0.000 1 327 49 54 LYS HB2 H 2.415 0.000 2 328 49 54 LYS HB3 H 2.342 0.000 2 329 49 54 LYS HG2 H 2.088 0.000 2 330 49 54 LYS HG3 H 1.983 0.000 2 331 49 54 LYS HD2 H 1.387 0.000 2 332 49 54 LYS HD3 H 1.463 0.000 2 333 49 54 LYS HE2 H 3.005 0.000 2 334 49 54 LYS HE3 H 3.005 0.000 2 335 49 54 LYS CA C 53.658 0.000 1 336 49 54 LYS CB C 35.506 0.000 1 337 49 54 LYS CE C 42.556 0.000 1 338 49 54 LYS N N 118.416 0.000 1 339 50 55 PRO HA H 4.716 0.000 1 340 50 55 PRO HB2 H 2.058 0.000 2 341 50 55 PRO HB3 H 2.165 0.000 2 342 50 55 PRO HG2 H 2.546 0.000 2 343 50 55 PRO HG3 H 2.532 0.000 2 344 50 55 PRO HD2 H 3.661 0.000 2 345 50 55 PRO HD3 H 3.808 0.000 2 346 50 55 PRO C C 177.389 0.000 1 347 50 55 PRO CA C 62.377 0.000 1 348 50 55 PRO CB C 32.829 0.000 1 349 50 55 PRO CD C 50.917 0.000 1 350 51 56 VAL H H 8.591 0.000 1 351 51 56 VAL HA H 3.571 0.000 1 352 51 56 VAL HB H 2.128 0.000 1 353 51 56 VAL HG1 H 1.371 0.000 . 354 51 56 VAL HG2 H 1.082 0.000 . 355 51 56 VAL C C 176.666 0.000 1 356 51 56 VAL CA C 68.091 0.000 1 357 51 56 VAL CB C 32.764 0.000 1 358 51 56 VAL CG1 C 20.847 0.000 2 359 51 56 VAL CG2 C 24.133 0.000 2 360 51 56 VAL N N 122.094 0.000 1 361 52 57 ASP H H 9.304 0.000 1 362 52 57 ASP HA H 4.695 0.000 1 363 52 57 ASP HB2 H 2.754 0.000 2 364 52 57 ASP HB3 H 2.913 0.000 2 365 52 57 ASP C C 179.415 0.000 1 366 52 57 ASP CA C 59.285 0.000 1 367 52 57 ASP CB C 41.110 0.000 1 368 52 57 ASP N N 117.160 0.000 1 369 53 58 GLU H H 7.391 0.000 1 370 53 58 GLU HA H 4.239 0.000 1 371 53 58 GLU HB2 H 2.084 0.000 2 372 53 58 GLU HB3 H 2.084 0.000 2 373 53 58 GLU HG2 H 2.370 0.000 2 374 53 58 GLU HG3 H 2.370 0.000 2 375 53 58 GLU C C 179.306 0.000 1 376 53 58 GLU CA C 58.958 0.000 1 377 53 58 GLU CB C 30.635 0.000 1 378 53 58 GLU N N 118.876 0.000 1 379 54 59 ALA H H 9.153 0.000 1 380 54 59 ALA HA H 3.892 0.000 1 381 54 59 ALA HB H 1.326 0.000 . 382 54 59 ALA C C 179.957 0.000 1 383 54 59 ALA CA C 55.410 0.000 1 384 54 59 ALA CB C 18.885 0.000 1 385 54 59 ALA N N 124.810 0.000 1 386 55 60 LEU H H 8.586 0.000 1 387 55 60 LEU HA H 3.700 0.000 1 388 55 60 LEU HB2 H 1.662 0.000 2 389 55 60 LEU HB3 H 1.738 0.000 2 390 55 60 LEU HG H 1.337 0.000 1 391 55 60 LEU HD1 H 0.861 0.000 . 392 55 60 LEU HD2 H 0.574 0.000 . 393 55 60 LEU C C 178.646 0.000 1 394 55 60 LEU CA C 58.797 0.000 1 395 55 60 LEU CB C 43.112 0.000 1 396 55 60 LEU CG C 26.639 0.000 1 397 55 60 LEU CD1 C 23.770 0.000 2 398 55 60 LEU CD2 C 24.148 0.000 2 399 55 60 LEU N N 119.085 0.000 1 400 56 61 ARG H H 7.355 0.000 1 401 56 61 ARG HA H 4.547 0.000 1 402 56 61 ARG HB2 H 1.928 0.000 2 403 56 61 ARG HG2 H 1.901 0.000 2 404 56 61 ARG HG3 H 1.650 0.000 2 405 56 61 ARG HE H 6.571 0.000 1 406 56 61 ARG C C 176.731 0.000 1 407 56 61 ARG CA C 59.700 0.000 1 408 56 61 ARG CB C 30.527 0.000 1 409 56 61 ARG CG C 28.385 0.000 1 410 56 61 ARG CD C 43.825 0.000 1 411 56 61 ARG N N 116.930 0.000 1 412 57 62 GLU H H 7.353 0.000 1 413 57 62 GLU HA H 4.263 0.000 1 414 57 62 GLU HB2 H 2.060 0.000 2 415 57 62 GLU HB3 H 2.060 0.000 2 416 57 62 GLU HG2 H 2.234 0.000 2 417 57 62 GLU HG3 H 2.234 0.000 2 418 57 62 GLU C C 178.259 0.000 1 419 57 62 GLU CA C 57.746 0.000 1 420 57 62 GLU CB C 30.390 0.000 1 421 57 62 GLU CG C 36.513 0.000 1 422 57 62 GLU N N 117.027 0.000 1 423 58 63 ALA H H 8.225 0.000 1 424 58 63 ALA HA H 3.702 0.000 1 425 58 63 ALA HB H 0.948 0.000 . 426 58 63 ALA C C 178.655 0.000 1 427 58 63 ALA CA C 55.084 0.000 1 428 58 63 ALA CB C 20.675 0.000 1 429 58 63 ALA N N 119.348 0.000 1 430 59 64 MET H H 7.673 0.000 1 431 59 64 MET HA H 4.572 0.000 1 432 59 64 MET HG2 H 2.461 0.000 2 433 59 64 MET HG3 H 2.354 0.000 2 434 59 64 MET CA C 55.821 0.000 1 435 59 64 MET CB C 28.250 0.000 1 436 59 64 MET CE C 16.035 0.000 1 437 59 64 MET N N 113.613 0.000 1 438 60 65 PRO HA H 4.119 0.000 1 439 60 65 PRO HB2 H 2.368 0.000 2 440 60 65 PRO HB3 H 1.728 0.000 2 441 60 65 PRO HG2 H 2.100 0.000 2 442 60 65 PRO HG3 H 1.934 0.000 2 443 60 65 PRO HD2 H 3.393 0.000 2 444 60 65 PRO HD3 H 3.564 0.000 2 445 60 65 PRO C C 178.662 0.000 1 446 60 65 PRO CA C 65.776 0.000 1 447 60 65 PRO CB C 31.642 0.000 1 448 60 65 PRO CG C 28.860 0.000 1 449 60 65 PRO CD C 51.714 0.000 1 450 61 66 LYS H H 6.244 0.000 1 451 61 66 LYS HA H 3.671 0.000 1 452 61 66 LYS HB2 H 1.659 0.000 2 453 61 66 LYS HB3 H 1.582 0.000 2 454 61 66 LYS HG2 H 1.315 0.000 2 455 61 66 LYS HG3 H 1.155 0.000 2 456 61 66 LYS HD2 H 1.472 0.000 2 457 61 66 LYS HD3 H 1.472 0.000 2 458 61 66 LYS HE2 H 2.858 0.000 2 459 61 66 LYS HE3 H 2.858 0.000 2 460 61 66 LYS C C 179.596 0.000 1 461 61 66 LYS CA C 59.322 0.000 1 462 61 66 LYS CB C 32.781 0.000 1 463 61 66 LYS CG C 26.310 0.000 1 464 61 66 LYS CE C 42.210 0.000 1 465 61 66 LYS N N 112.814 0.000 1 466 62 67 ILE H H 6.385 0.000 1 467 62 67 ILE HA H 3.046 0.000 1 468 62 67 ILE HB H 0.971 0.000 1 469 62 67 ILE HG12 H 1.497 0.000 2 470 62 67 ILE HG13 H 1.320 0.000 2 471 62 67 ILE HG2 H 0.891 0.000 . 472 62 67 ILE HD1 H 0.620 0.000 . 473 62 67 ILE C C 176.250 0.000 1 474 62 67 ILE CA C 61.313 0.000 1 475 62 67 ILE CB C 34.884 0.000 1 476 62 67 ILE CG1 C 27.308 0.000 1 477 62 67 ILE CG2 C 16.744 0.000 1 478 62 67 ILE CD1 C 9.506 0.000 1 479 62 67 ILE N N 119.855 0.000 1 480 63 68 MET H H 6.619 0.000 1 481 63 68 MET HA H 4.167 0.000 1 482 63 68 MET HB2 H 1.470 0.000 2 483 63 68 MET HB3 H 1.470 0.000 2 484 63 68 MET C C 179.851 0.000 1 485 63 68 MET CA C 55.134 0.000 1 486 63 68 MET CB C 30.543 0.000 1 487 63 68 MET CG C 32.108 0.000 1 488 63 68 MET CE C 17.103 0.000 1 489 63 68 MET N N 114.712 0.000 1 490 64 69 LYS H H 7.769 0.000 1 491 64 69 LYS HA H 3.884 0.000 1 492 64 69 LYS HB2 H 1.652 0.000 2 493 64 69 LYS HB3 H 1.487 0.000 2 494 64 69 LYS HE2 H 2.937 0.000 2 495 64 69 LYS HE3 H 2.937 0.000 2 496 64 69 LYS C C 178.655 0.000 1 497 64 69 LYS CA C 59.253 0.000 1 498 64 69 LYS CB C 31.486 0.000 1 499 64 69 LYS CG C 26.330 0.000 1 500 64 69 LYS CD C 30.389 0.000 1 501 64 69 LYS CE C 42.313 0.000 1 502 64 69 LYS N N 120.172 0.000 1 503 65 70 TYR H H 7.105 0.000 1 504 65 70 TYR HA H 4.296 0.000 1 505 65 70 TYR HB2 H 2.901 0.000 2 506 65 70 TYR HB3 H 3.095 0.000 2 507 65 70 TYR HE1 H 6.177 0.000 3 508 65 70 TYR HE2 H 6.177 0.000 3 509 65 70 TYR C C 177.244 0.000 1 510 65 70 TYR CA C 61.096 0.000 1 511 65 70 TYR CB C 37.188 0.000 1 512 65 70 TYR CE1 C 117.094 0.000 3 513 65 70 TYR N N 122.337 0.000 1 514 66 71 VAL H H 7.610 0.000 1 515 66 71 VAL HA H 3.486 0.000 1 516 66 71 VAL HB H 2.090 0.000 1 517 66 71 VAL HG1 H 0.633 0.000 . 518 66 71 VAL HG2 H 0.488 0.000 . 519 66 71 VAL C C 176.978 0.000 1 520 66 71 VAL CA C 63.785 0.000 1 521 66 71 VAL CB C 31.117 0.000 1 522 66 71 VAL CG1 C 22.409 0.000 2 523 66 71 VAL CG2 C 20.950 0.000 2 524 66 71 VAL N N 113.949 0.000 1 525 67 72 GLY H H 7.461 0.000 1 526 67 72 GLY HA2 H 3.643 0.000 2 527 67 72 GLY HA3 H 4.185 0.000 2 528 67 72 GLY C C 174.423 0.000 1 529 67 72 GLY CA C 44.973 0.000 1 530 67 72 GLY N N 106.628 0.000 1 531 68 73 GLY H H 6.828 0.000 1 532 68 73 GLY HA2 H 3.140 0.000 2 533 68 73 GLY HA3 H 4.320 0.000 2 534 68 73 GLY C C 174.568 0.000 1 535 68 73 GLY CA C 44.464 0.000 1 536 68 73 GLY N N 105.143 0.000 1 537 69 74 THR H H 8.575 0.000 1 538 69 74 THR HA H 4.384 0.000 1 539 69 74 THR HB H 3.803 0.000 1 540 69 74 THR HG2 H 0.961 0.000 . 541 69 74 THR C C 173.429 0.000 1 542 69 74 THR CA C 61.309 0.000 1 543 69 74 THR CB C 66.242 0.000 1 544 69 74 THR CG2 C 23.105 0.000 1 545 69 74 THR N N 122.260 0.000 1 546 70 75 ASN H H 8.244 0.000 1 547 70 75 ASN HA H 5.125 0.000 1 548 70 75 ASN HB2 H 2.865 0.000 2 549 70 75 ASN HB3 H 2.528 0.000 2 550 70 75 ASN HD21 H 7.829 0.000 2 551 70 75 ASN HD22 H 6.668 0.000 2 552 70 75 ASN C C 175.798 0.000 1 553 70 75 ASN CA C 52.079 0.000 1 554 70 75 ASN CB C 42.295 0.000 1 555 70 75 ASN N N 121.070 0.000 1 556 70 75 ASN ND2 N 116.529 0.000 1 557 71 76 ASP H H 9.239 0.000 1 558 71 76 ASP HA H 4.239 0.000 1 559 71 76 ASP HB2 H 2.790 0.000 2 560 71 76 ASP HB3 H 2.927 0.000 2 561 71 76 ASP C C 176.850 0.000 1 562 71 76 ASP CA C 57.056 0.000 1 563 71 76 ASP CB C 40.719 0.000 1 564 71 76 ASP N N 120.406 0.000 1 565 72 77 LYS H H 7.673 0.000 1 566 72 77 LYS HA H 4.512 0.000 1 567 72 77 LYS HB2 H 2.005 0.000 2 568 72 77 LYS HB3 H 1.550 0.000 2 569 72 77 LYS HE2 H 3.006 0.000 2 570 72 77 LYS HE3 H 3.006 0.000 2 571 72 77 LYS C C 176.777 0.000 1 572 72 77 LYS CA C 54.631 0.000 1 573 72 77 LYS CB C 34.177 0.000 1 574 72 77 LYS CG C 24.759 0.000 1 575 72 77 LYS CE C 42.507 0.000 1 576 72 77 LYS N N 117.842 0.000 1 577 73 78 GLY H H 7.932 0.000 1 578 73 78 GLY HA2 H 3.858 0.000 2 579 73 78 GLY HA3 H 4.259 0.000 2 580 73 78 GLY C C 174.966 0.000 1 581 73 78 GLY CA C 46.421 0.000 1 582 73 78 GLY N N 112.411 0.000 1 583 74 79 VAL H H 7.640 0.000 1 584 74 79 VAL HA H 4.376 0.000 1 585 74 79 VAL HB H 1.789 0.000 1 586 74 79 VAL HG1 H 0.842 0.000 . 587 74 79 VAL HG2 H 0.717 0.000 . 588 74 79 VAL C C 174.672 0.000 1 589 74 79 VAL CA C 59.821 0.000 1 590 74 79 VAL CB C 34.689 0.000 1 591 74 79 VAL CG1 C 21.147 0.000 2 592 74 79 VAL CG2 C 21.152 0.000 2 593 74 79 VAL N N 115.527 0.000 1 594 75 80 GLY H H 8.501 0.000 1 595 75 80 GLY HA2 H 3.396 0.000 2 596 75 80 GLY HA3 H 4.200 0.000 2 597 75 80 GLY C C 174.248 0.000 1 598 75 80 GLY CA C 44.757 0.000 1 599 75 80 GLY N N 113.880 0.000 1 600 76 81 MET H H 8.801 0.000 1 601 76 81 MET HA H 4.346 0.000 1 602 76 81 MET HB2 H 1.593 0.000 2 603 76 81 MET HB3 H 1.757 0.000 2 604 76 81 MET C C 175.653 0.000 1 605 76 81 MET CA C 55.640 0.000 1 606 76 81 MET CB C 35.738 0.000 1 607 76 81 MET CE C 16.954 0.000 1 608 76 81 MET N N 122.896 0.000 1 609 77 82 GLY H H 7.866 0.000 1 610 77 82 GLY HA2 H 3.844 0.000 2 611 77 82 GLY HA3 H 4.237 0.000 2 612 77 82 GLY C C 170.828 0.000 1 613 77 82 GLY CA C 44.729 0.000 1 614 77 82 GLY N N 106.352 0.000 1 615 78 83 MET H H 8.019 0.000 1 616 78 83 MET HA H 4.917 0.000 1 617 78 83 MET HB2 H 2.079 0.000 2 618 78 83 MET HB3 H 2.345 0.000 2 619 78 83 MET C C 174.196 0.000 1 620 78 83 MET CA C 53.865 0.000 1 621 78 83 MET CB C 35.396 0.000 1 622 78 83 MET CE C 16.784 0.000 1 623 78 83 MET N N 112.588 0.000 1 624 79 84 THR H H 8.611 0.000 1 625 79 84 THR HA H 4.920 0.000 1 626 79 84 THR HB H 3.872 0.000 1 627 79 84 THR HG2 H 1.137 0.000 . 628 79 84 THR CA C 61.180 0.000 1 629 79 84 THR CB C 69.390 0.000 1 630 79 84 THR CG2 C 22.143 0.000 1 631 79 84 THR N N 117.505 0.000 1 632 80 85 VAL H H 6.651 0.000 1 633 80 85 VAL HA H 5.146 0.000 1 634 80 85 VAL N N 120.613 0.000 1 635 81 86 PRO HA H 4.442 0.000 1 636 81 86 PRO HB2 H 2.291 0.000 2 637 81 86 PRO HB3 H 1.896 0.000 2 638 81 86 PRO HG2 H 2.005 0.000 2 639 81 86 PRO HG3 H 2.005 0.000 2 640 81 86 PRO HD2 H 3.798 0.000 2 641 81 86 PRO HD3 H 3.621 0.000 2 642 81 86 PRO C C 176.118 0.000 1 643 81 86 PRO CA C 62.869 0.000 1 644 81 86 PRO CB C 33.769 0.000 1 645 81 86 PRO CD C 49.638 0.000 1 646 82 87 VAL H H 8.381 0.000 1 647 82 87 VAL HA H 4.602 0.000 1 648 82 87 VAL HB H 2.174 0.000 1 649 82 87 VAL HG1 H 1.311 0.000 . 650 82 87 VAL HG2 H 1.015 0.000 . 651 82 87 VAL C C 175.367 0.000 1 652 82 87 VAL CA C 63.546 0.000 1 653 82 87 VAL CB C 32.803 0.000 1 654 82 87 VAL CG1 C 22.056 0.000 2 655 82 87 VAL CG2 C 22.397 0.000 2 656 82 87 VAL N N 118.971 0.000 1 657 83 88 SER H H 7.562 0.000 1 658 83 88 SER HA H 6.164 0.000 1 659 83 88 SER HB2 H 3.693 0.000 2 660 83 88 SER HB3 H 3.507 0.000 2 661 83 88 SER C C 173.175 0.000 1 662 83 88 SER CA C 55.992 0.000 1 663 83 88 SER CB C 70.363 0.000 1 664 83 88 SER N N 120.042 0.000 1 665 84 89 PHE H H 9.254 0.000 1 666 84 89 PHE HA H 5.692 0.000 1 667 84 89 PHE HB2 H 3.219 0.000 2 668 84 89 PHE HB3 H 2.675 0.000 2 669 84 89 PHE HD1 H 6.712 0.000 3 670 84 89 PHE HD2 H 6.712 0.000 3 671 84 89 PHE HZ H 6.837 0.000 1 672 84 89 PHE C C 172.677 0.000 1 673 84 89 PHE CA C 55.675 0.000 1 674 84 89 PHE CB C 40.518 0.000 1 675 84 89 PHE CD1 C 133.665 0.000 3 676 84 89 PHE CZ C 130.952 0.000 1 677 84 89 PHE N N 115.275 0.000 1 678 85 90 ALA H H 10.021 0.000 1 679 85 90 ALA HA H 4.282 0.000 1 680 85 90 ALA HB H 1.203 0.000 . 681 85 90 ALA C C 175.514 0.000 1 682 85 90 ALA CA C 51.270 0.000 1 683 85 90 ALA CB C 21.635 0.000 1 684 85 90 ALA N N 127.893 0.000 1 685 86 91 VAL H H 7.947 0.000 1 686 86 91 VAL HA H 4.472 0.000 1 687 86 91 VAL HB H 2.165 0.000 1 688 86 91 VAL HG1 H 0.957 0.000 . 689 86 91 VAL HG2 H -0.321 0.000 . 690 86 91 VAL C C 173.574 0.000 1 691 86 91 VAL CA C 59.140 0.000 1 692 86 91 VAL CB C 34.190 0.000 1 693 86 91 VAL CG1 C 18.121 0.000 2 694 86 91 VAL CG2 C 23.132 0.000 2 695 86 91 VAL N N 112.044 0.000 1 696 87 92 PHE H H 9.130 0.000 1 697 87 92 PHE HA H 5.064 0.000 1 698 87 92 PHE HB2 H 2.749 0.000 2 699 87 92 PHE HB3 H 3.006 0.000 2 700 87 92 PHE HD1 H 7.268 0.000 3 701 87 92 PHE HD2 H 7.268 0.000 3 702 87 92 PHE HE1 H 7.076 0.000 3 703 87 92 PHE HE2 H 7.076 0.000 3 704 87 92 PHE CA C 55.226 0.000 1 705 87 92 PHE CB C 40.927 0.000 1 706 87 92 PHE CD1 C 132.637 0.000 3 707 87 92 PHE CE1 C 130.671 0.000 3 708 87 92 PHE N N 117.119 0.000 1 709 88 93 PRO HA H 4.995 0.000 1 710 88 93 PRO HB2 H 2.276 0.000 2 711 88 93 PRO HB3 H 2.276 0.000 2 712 88 93 PRO HG2 H 2.220 0.000 2 713 88 93 PRO HG3 H 1.895 0.000 2 714 88 93 PRO HD2 H 3.170 0.000 2 715 88 93 PRO HD3 H 3.755 0.000 2 716 88 93 PRO C C 178.637 0.000 1 717 88 93 PRO CA C 62.575 0.000 1 718 88 93 PRO CB C 33.335 0.000 1 719 88 93 PRO CG C 27.384 0.000 1 720 88 93 PRO CD C 50.579 0.000 1 721 89 94 ASN H H 9.411 0.000 1 722 89 94 ASN HA H 5.032 0.000 1 723 89 94 ASN HB2 H 2.771 0.000 2 724 89 94 ASN HB3 H 2.992 0.000 2 725 89 94 ASN HD21 H 7.392 0.000 2 726 89 94 ASN HD22 H 6.749 0.000 2 727 89 94 ASN CA C 52.462 0.000 1 728 89 94 ASN CB C 40.496 0.000 1 729 89 94 ASN N N 119.759 0.000 1 730 89 94 ASN ND2 N 114.415 0.000 1 731 90 95 GLU H H 8.104 0.000 1 732 90 95 GLU HA H 4.092 0.000 1 733 90 95 GLU HG2 H 2.099 0.000 2 734 90 95 GLU HG3 H 2.352 0.000 2 735 90 95 GLU C C 176.905 0.000 1 736 90 95 GLU CA C 60.508 0.000 1 737 90 95 GLU CB C 29.492 0.000 1 738 90 95 GLU CG C 34.428 0.000 1 739 91 96 ASP H H 7.837 0.000 1 740 91 96 ASP HA H 4.602 0.000 1 741 91 96 ASP HB2 H 3.122 0.000 2 742 91 96 ASP HB3 H 2.667 0.000 2 743 91 96 ASP C C 177.106 0.000 1 744 91 96 ASP CA C 53.824 0.000 1 745 91 96 ASP CB C 40.332 0.000 1 746 91 96 ASP N N 115.193 0.000 1 747 92 97 GLY H H 8.019 0.000 1 748 92 97 GLY HA2 H 3.634 0.000 2 749 92 97 GLY HA3 H 4.448 0.000 2 750 92 97 GLY C C 173.971 0.000 1 751 92 97 GLY CA C 45.188 0.000 1 752 92 97 GLY N N 109.623 0.000 1 753 93 98 SER H H 8.162 0.000 1 754 93 98 SER HA H 4.360 0.000 1 755 93 98 SER HB2 H 3.993 0.000 2 756 93 98 SER HB3 H 4.120 0.000 2 757 93 98 SER CA C 58.756 0.000 1 758 93 98 SER CB C 64.594 0.000 1 759 93 98 SER N N 115.334 0.000 1 760 94 99 LEU H H 8.746 0.000 1 761 94 99 LEU HA H 4.751 0.000 1 762 94 99 LEU HG H 1.585 0.000 1 763 94 99 LEU HD1 H 0.988 0.000 . 764 94 99 LEU HD2 H 0.779 0.000 . 765 94 99 LEU C C 178.728 0.000 1 766 94 99 LEU CA C 54.594 0.000 1 767 94 99 LEU CB C 42.531 0.000 1 768 94 99 LEU CD1 C 62.899 0.000 2 769 94 99 LEU CD2 C 25.280 0.000 2 770 94 99 LEU N N 118.912 0.000 1 771 95 100 GLN H H 8.542 0.000 1 772 95 100 GLN HA H 4.309 0.000 1 773 95 100 GLN HB2 H 1.407 0.000 2 774 95 100 GLN HB3 H 1.407 0.000 2 775 95 100 GLN HG2 H 1.788 0.000 2 776 95 100 GLN HG3 H 1.737 0.000 2 777 95 100 GLN HE21 H 6.749 0.000 2 778 95 100 GLN HE22 H 7.407 0.000 2 779 95 100 GLN CA C 56.428 0.000 1 780 95 100 GLN CB C 30.443 0.000 1 781 95 100 GLN N N 120.198 0.000 1 782 95 100 GLN NE2 N 114.315 0.000 1 783 96 101 LYS H H 8.129 0.000 1 784 96 101 LYS HA H 4.444 0.000 1 785 96 101 LYS HB2 H 2.112 0.000 2 786 96 101 LYS HB3 H 2.173 0.000 2 787 96 101 LYS HG2 H 1.743 0.000 2 788 96 101 LYS HG3 H 1.743 0.000 2 789 96 101 LYS HD2 H 2.002 0.000 2 790 96 101 LYS HD3 H 1.925 0.000 2 791 96 101 LYS C C 175.532 0.000 1 792 96 101 LYS CA C 55.141 0.000 1 793 96 101 LYS CB C 31.168 0.000 1 794 96 101 LYS N N 117.999 0.000 1 795 97 102 LYS H H 7.900 0.000 1 796 97 102 LYS HA H 4.759 0.000 1 797 97 102 LYS HB2 H 1.629 0.000 2 798 97 102 LYS HB3 H 1.752 0.000 2 799 97 102 LYS HG2 H 1.176 0.000 2 800 97 102 LYS HG3 H 1.251 0.000 2 801 97 102 LYS HD2 H 1.016 0.000 2 802 97 102 LYS HD3 H 1.016 0.000 2 803 97 102 LYS HE2 H 2.107 0.000 2 804 97 102 LYS HE3 H 2.174 0.000 2 805 97 102 LYS C C 173.336 0.000 1 806 97 102 LYS CA C 56.545 0.000 1 807 97 102 LYS CB C 35.697 0.000 1 808 97 102 LYS CE C 41.532 0.000 1 809 97 102 LYS N N 121.614 0.000 1 810 98 103 LEU H H 8.690 0.000 1 811 98 103 LEU HA H 5.331 0.000 1 812 98 103 LEU HB2 H 1.694 0.000 2 813 98 103 LEU HB3 H 1.817 0.000 2 814 98 103 LEU HG H 1.658 0.000 1 815 98 103 LEU HD1 H 0.599 0.000 . 816 98 103 LEU HD2 H 0.822 0.000 . 817 98 103 LEU C C 175.490 0.000 1 818 98 103 LEU CA C 55.417 0.000 1 819 98 103 LEU CB C 46.815 0.000 1 820 98 103 LEU CG C 27.070 0.000 1 821 98 103 LEU CD1 C 27.073 0.000 2 822 98 103 LEU CD2 C 27.671 0.000 2 823 98 103 LEU N N 123.106 0.000 1 824 99 104 LYS H H 8.223 0.000 1 825 99 104 LYS HA H 5.406 0.000 1 826 99 104 LYS HB2 H 2.203 0.000 2 827 99 104 LYS HB3 H 2.203 0.000 2 828 99 104 LYS C C 175.364 0.000 1 829 99 104 LYS CA C 55.907 0.000 1 830 99 104 LYS CB C 36.663 0.000 1 831 99 104 LYS N N 123.964 0.000 1 832 100 105 VAL H H 9.178 0.000 1 833 100 105 VAL HA H 4.166 0.000 1 834 100 105 VAL HB H 1.623 0.000 1 835 100 105 VAL HG1 H 1.031 0.000 . 836 100 105 VAL HG2 H 0.865 0.000 . 837 100 105 VAL C C 173.429 0.000 1 838 100 105 VAL CA C 63.877 0.000 1 839 100 105 VAL CB C 33.806 0.000 1 840 100 105 VAL CG1 C 21.816 0.000 2 841 100 105 VAL CG2 C 23.706 0.000 2 842 100 105 VAL N N 130.335 0.000 1 843 101 106 TRP H H 8.999 0.000 1 844 101 106 TRP HA H 4.567 0.000 1 845 101 106 TRP HB2 H 3.115 0.000 2 846 101 106 TRP HB3 H 2.806 0.000 2 847 101 106 TRP HD1 H 7.265 0.000 1 848 101 106 TRP HE1 H 10.435 0.000 1 849 101 106 TRP HE3 H 6.533 0.000 1 850 101 106 TRP HZ2 H 7.519 0.000 1 851 101 106 TRP HZ3 H 6.360 0.000 1 852 101 106 TRP HH2 H 7.065 0.000 1 853 101 106 TRP C C 173.935 0.000 1 854 101 106 TRP CA C 57.524 0.000 1 855 101 106 TRP CB C 30.534 0.000 1 856 101 106 TRP CD1 C 126.131 0.000 1 857 101 106 TRP CE3 C 120.477 0.000 1 858 101 106 TRP CZ2 C 113.868 0.000 1 859 101 106 TRP CZ3 C 120.965 0.000 1 860 101 106 TRP CH2 C 124.408 0.000 1 861 101 106 TRP N N 125.675 0.000 1 862 101 106 TRP NE1 N 127.964 0.000 1 863 102 107 PHE H H 8.649 0.000 1 864 102 107 PHE HA H 5.199 0.000 1 865 102 107 PHE HD1 H 6.847 0.000 3 866 102 107 PHE HD2 H 6.847 0.000 3 867 102 107 PHE HE1 H 6.440 0.000 3 868 102 107 PHE HE2 H 6.440 0.000 3 869 102 107 PHE C C 173.628 0.000 1 870 102 107 PHE CA C 55.184 0.000 1 871 102 107 PHE CB C 41.130 0.000 1 872 102 107 PHE CD1 C 132.273 0.000 3 873 102 107 PHE CE1 C 117.585 0.000 3 874 102 107 PHE N N 126.764 0.000 1 875 103 108 ARG H H 8.223 0.000 1 876 103 108 ARG HA H 2.826 0.000 1 877 103 108 ARG HB2 H 0.501 0.000 2 878 103 108 ARG HB3 H 0.832 0.000 2 879 103 108 ARG HG2 H -0.512 0.000 2 880 103 108 ARG HG3 H -0.512 0.000 2 881 103 108 ARG HD2 H 2.171 0.000 2 882 103 108 ARG HD3 H 1.085 0.000 2 883 103 108 ARG HE H 6.294 0.000 1 884 103 108 ARG C C 174.188 0.000 1 885 103 108 ARG CA C 56.652 0.000 1 886 103 108 ARG CB C 28.598 0.000 1 887 103 108 ARG CG C 28.631 0.000 1 888 103 108 ARG CD C 41.814 0.000 1 889 103 108 ARG N N 131.348 0.000 1 890 103 108 ARG NE N 115.280 0.000 1 891 104 109 ILE H H 7.152 0.000 1 892 104 109 ILE HA H 3.703 0.000 1 893 104 109 ILE HB H 1.527 0.000 1 894 104 109 ILE HG12 H 1.270 0.000 . 895 104 109 ILE HG13 H 1.270 0.000 . 896 104 109 ILE HG2 H 0.894 0.000 . 897 104 109 ILE HD1 H 0.464 0.000 . 898 104 109 ILE CA C 58.578 0.000 1 899 104 109 ILE CB C 36.973 0.000 1 900 104 109 ILE CG1 C 28.902 0.000 1 901 104 109 ILE CG2 C 17.037 0.000 1 902 104 109 ILE CD1 C 11.911 0.000 1 903 104 109 ILE N N 129.730 0.000 1 904 105 110 PRO HA H 3.953 0.000 1 905 105 110 PRO HB2 H 2.354 0.000 2 906 105 110 PRO HB3 H 1.823 0.000 2 907 105 110 PRO HG2 H 2.164 0.000 2 908 105 110 PRO HG3 H 2.164 0.000 2 909 105 110 PRO HD2 H 3.468 0.000 2 910 105 110 PRO HD3 H 3.845 0.000 2 911 105 110 PRO CA C 63.809 0.000 1 912 105 110 PRO CB C 33.526 0.000 1 913 105 110 PRO CD C 51.642 0.000 1 914 106 111 ASN H H 10.231 0.000 1 915 106 111 ASN HA H 4.272 0.000 1 916 106 111 ASN HB2 H 2.695 0.000 2 917 106 111 ASN HB3 H 2.907 0.000 2 918 106 111 ASN C C 178.207 0.000 1 919 106 111 ASN CA C 57.353 0.000 1 920 106 111 ASN CB C 38.628 0.000 1 921 106 111 ASN N N 123.953 0.000 1 922 107 112 GLN H H 9.667 0.000 1 923 107 112 GLN HA H 3.881 0.000 1 924 107 112 GLN HB2 H 1.914 0.000 2 925 107 112 GLN HB3 H 1.520 0.000 2 926 107 112 GLN HG2 H 1.799 0.000 2 927 107 112 GLN HG3 H 1.664 0.000 2 928 107 112 GLN HE21 H 7.261 0.000 2 929 107 112 GLN HE22 H 7.505 0.000 2 930 107 112 GLN C C 179.649 0.000 1 931 107 112 GLN CA C 58.475 0.000 1 932 107 112 GLN CB C 28.006 0.000 1 933 107 112 GLN CG C 33.411 0.000 1 934 107 112 GLN N N 119.196 0.000 1 935 107 112 GLN NE2 N 112.124 0.000 1 936 108 113 PHE H H 8.161 0.000 1 937 108 113 PHE HA H 4.575 0.000 1 938 108 113 PHE HB2 H 2.285 0.000 2 939 108 113 PHE HB3 H 3.311 0.000 2 940 108 113 PHE C C 177.637 0.000 1 941 108 113 PHE CA C 57.722 0.000 1 942 108 113 PHE CB C 41.531 0.000 1 943 108 113 PHE N N 115.180 0.000 1 944 109 114 GLN H H 7.285 0.000 1 945 109 114 GLN HA H 3.236 0.000 1 946 109 114 GLN HB2 H 1.918 0.000 2 947 109 114 GLN HB3 H 2.235 0.000 2 948 109 114 GLN HG2 H 2.275 0.000 2 949 109 114 GLN HG3 H 2.500 0.000 2 950 109 114 GLN HE21 H 7.285 0.000 2 951 109 114 GLN HE22 H 9.069 0.000 2 952 109 114 GLN C C 179.815 0.000 1 953 109 114 GLN CA C 59.523 0.000 1 954 109 114 GLN CB C 28.528 0.000 1 955 109 114 GLN CG C 34.749 0.000 1 956 109 114 GLN N N 119.116 0.000 1 957 109 114 GLN NE2 N 119.146 0.000 1 958 110 115 GLY H H 8.133 0.000 1 959 110 115 GLY HA2 H 3.835 0.000 2 960 110 115 GLY HA3 H 3.679 0.000 2 961 110 115 GLY C C 175.056 0.000 1 962 110 115 GLY CA C 46.676 0.000 1 963 110 115 GLY N N 104.998 0.000 1 964 111 116 SER H H 7.276 0.000 1 965 111 116 SER HA H 4.720 0.000 1 966 111 116 SER HB2 H 3.691 0.000 2 967 111 116 SER HB3 H 3.866 0.000 2 968 111 116 SER CA C 58.693 0.000 1 969 111 116 SER CB C 63.047 0.000 1 970 111 116 SER N N 112.148 0.000 1 971 112 117 PRO HA H 4.617 0.000 1 972 112 117 PRO HB2 H 2.285 0.000 2 973 112 117 PRO HB3 H 1.936 0.000 2 974 112 117 PRO HG2 H 2.019 0.000 2 975 112 117 PRO HG3 H 2.019 0.000 2 976 112 117 PRO HD2 H 3.598 0.000 2 977 112 117 PRO HD3 H 3.598 0.000 2 978 112 117 PRO CA C 61.928 0.000 1 979 112 117 PRO CB C 30.836 0.000 1 980 112 117 PRO CD C 49.617 0.000 1 981 113 118 PRO HA H 4.451 0.000 1 982 113 118 PRO HB2 H 2.073 0.000 2 983 113 118 PRO HB3 H 1.581 0.000 2 984 113 118 PRO HG2 H 1.458 0.000 2 985 113 118 PRO HG3 H 1.612 0.000 2 986 113 118 PRO HD2 H 3.885 0.000 2 987 113 118 PRO HD3 H 3.402 0.000 2 988 113 118 PRO C C 175.762 0.000 1 989 113 118 PRO CA C 62.821 0.000 1 990 113 118 PRO CB C 32.817 0.000 1 991 113 118 PRO CG C 28.295 0.000 1 992 113 118 PRO CD C 50.657 0.000 1 993 114 119 ALA H H 8.868 0.000 1 994 114 119 ALA HA H 4.584 0.000 1 995 114 119 ALA HB H 1.343 0.000 . 996 114 119 ALA CA C 50.164 0.000 1 997 114 119 ALA CB C 18.249 0.000 1 998 114 119 ALA N N 129.478 0.000 1 999 115 120 PRO HA H 4.301 0.000 1 1000 115 120 PRO HB2 H 1.871 0.000 2 1001 115 120 PRO HB3 H 2.273 0.000 2 1002 115 120 PRO C C 177.371 0.000 1 1003 115 120 PRO CA C 63.788 0.000 1 1004 115 120 PRO CB C 32.250 0.000 1 1005 116 121 SER H H 7.590 0.000 1 1006 116 121 SER HA H 4.442 0.000 1 1007 116 121 SER HB2 H 3.435 0.000 2 1008 116 121 SER HB3 H 3.821 0.000 2 1009 116 121 SER C C 173.410 0.000 1 1010 116 121 SER CA C 59.438 0.000 1 1011 116 121 SER CB C 62.894 0.000 1 1012 116 121 SER N N 119.096 0.000 1 1013 117 122 ASP H H 8.037 0.000 1 1014 117 122 ASP HA H 4.530 0.000 1 1015 117 122 ASP HB2 H 2.317 0.000 2 1016 117 122 ASP HB3 H 2.830 0.000 2 1017 117 122 ASP C C 176.177 0.000 1 1018 117 122 ASP CA C 52.929 0.000 1 1019 117 122 ASP CB C 41.846 0.000 1 1020 117 122 ASP N N 123.225 0.000 1 1021 118 123 GLU H H 8.565 0.000 1 1022 118 123 GLU HA H 4.051 0.000 1 1023 118 123 GLU HB2 H 2.005 0.000 2 1024 118 123 GLU HB3 H 2.005 0.000 2 1025 118 123 GLU HG2 H 2.271 0.000 2 1026 118 123 GLU HG3 H 2.271 0.000 2 1027 118 123 GLU C C 176.612 0.000 1 1028 118 123 GLU CA C 58.402 0.000 1 1029 118 123 GLU CB C 29.498 0.000 1 1030 118 123 GLU CG C 36.653 0.000 1 1031 118 123 GLU N N 124.106 0.000 1 1032 119 124 SER H H 8.868 0.000 1 1033 119 124 SER HA H 4.224 0.000 1 1034 119 124 SER HB2 H 3.795 0.000 2 1035 119 124 SER HB3 H 3.795 0.000 2 1036 119 124 SER C C 173.049 0.000 1 1037 119 124 SER CA C 60.708 0.000 1 1038 119 124 SER CB C 63.830 0.000 1 1039 119 124 SER N N 115.540 0.000 1 1040 120 125 VAL H H 7.711 0.000 1 1041 120 125 VAL HA H 4.283 0.000 1 1042 120 125 VAL HB H 1.852 0.000 1 1043 120 125 VAL HG1 H 0.442 0.000 . 1044 120 125 VAL HG2 H 0.137 0.000 . 1045 120 125 VAL C C 174.062 0.000 1 1046 120 125 VAL CA C 61.352 0.000 1 1047 120 125 VAL CB C 31.068 0.000 1 1048 120 125 VAL CG1 C 21.936 0.000 2 1049 120 125 VAL CG2 C 21.413 0.000 2 1050 120 125 VAL N N 123.649 0.000 1 1051 121 126 LYS H H 8.583 0.000 1 1052 121 126 LYS HA H 4.446 0.000 1 1053 121 126 LYS HB2 H 1.644 0.000 2 1054 121 126 LYS HB3 H 1.644 0.000 2 1055 121 126 LYS HG2 H 1.181 0.000 2 1056 121 126 LYS HG3 H 1.181 0.000 2 1057 121 126 LYS HD2 H 1.455 0.000 2 1058 121 126 LYS HD3 H 1.455 0.000 2 1059 121 126 LYS HE2 H 2.863 0.000 2 1060 121 126 LYS HE3 H 2.863 0.000 2 1061 121 126 LYS C C 175.291 0.000 1 1062 121 126 LYS CA C 53.742 0.000 1 1063 121 126 LYS CB C 34.191 0.000 1 1064 121 126 LYS CG C 25.106 0.000 1 1065 121 126 LYS CD C 28.885 0.000 1 1066 121 126 LYS CE C 42.191 0.000 1 1067 121 126 LYS N N 124.943 0.000 1 1068 122 127 ILE H H 8.245 0.000 1 1069 122 127 ILE HA H 5.266 0.000 1 1070 122 127 ILE HB H 1.970 0.000 1 1071 122 127 ILE HG12 H 1.266 0.000 . 1072 122 127 ILE HG13 H 1.266 0.000 . 1073 122 127 ILE HG2 H 0.763 0.000 . 1074 122 127 ILE HD1 H 0.555 0.000 . 1075 122 127 ILE C C 176.883 0.000 1 1076 122 127 ILE CA C 57.566 0.000 1 1077 122 127 ILE CB C 35.560 0.000 1 1078 122 127 ILE CG1 C 26.607 0.000 1 1079 122 127 ILE CG2 C 17.119 0.000 1 1080 122 127 ILE CD1 C 9.147 0.000 1 1081 122 127 ILE N N 120.872 0.000 1 1082 123 128 GLU H H 9.293 0.000 1 1083 123 128 GLU HA H 4.870 0.000 1 1084 123 128 GLU HB2 H 1.732 0.000 2 1085 123 128 GLU HB3 H 2.158 0.000 2 1086 123 128 GLU HG2 H 1.997 0.000 2 1087 123 128 GLU HG3 H 1.927 0.000 2 1088 123 128 GLU C C 174.361 0.000 1 1089 123 128 GLU CA C 55.141 0.000 1 1090 123 128 GLU CB C 34.972 0.000 1 1091 123 128 GLU CG C 37.453 0.000 1 1092 123 128 GLU N N 127.327 0.000 1 1093 124 129 GLU H H 8.800 0.000 1 1094 124 129 GLU HA H 5.466 0.000 1 1095 124 129 GLU HB2 H 1.921 0.000 2 1096 124 129 GLU HB3 H 2.054 0.000 2 1097 124 129 GLU HG2 H 2.214 0.000 2 1098 124 129 GLU HG3 H 2.214 0.000 2 1099 124 129 GLU C C 175.870 0.000 1 1100 124 129 GLU CA C 54.971 0.000 1 1101 124 129 GLU CB C 32.414 0.000 1 1102 124 129 GLU CG C 37.282 0.000 1 1103 124 129 GLU N N 122.247 0.000 1 1104 125 130 ARG H H 9.204 0.000 1 1105 125 130 ARG HA H 4.641 0.000 1 1106 125 130 ARG HB2 H 1.558 0.000 2 1107 125 130 ARG HB3 H 1.558 0.000 2 1108 125 130 ARG HD2 H 3.004 0.000 2 1109 125 130 ARG HD3 H 3.004 0.000 2 1110 125 130 ARG C C 174.653 0.000 1 1111 125 130 ARG CA C 55.737 0.000 1 1112 125 130 ARG CB C 34.746 0.000 1 1113 125 130 ARG N N 123.810 0.000 1 1114 126 131 GLU H H 8.779 0.000 1 1115 126 131 GLU HA H 4.597 0.000 1 1116 126 131 GLU HB2 H 2.065 0.000 2 1117 126 131 GLU HB3 H 2.288 0.000 2 1118 126 131 GLU HG2 H 2.454 0.000 2 1119 126 131 GLU HG3 H 2.356 0.000 2 1120 126 131 GLU C C 176.666 0.000 1 1121 126 131 GLU CA C 56.104 0.000 1 1122 126 131 GLU CB C 30.605 0.000 1 1123 126 131 GLU N N 124.390 0.000 1 1124 127 132 GLY H H 8.571 0.000 1 1125 127 132 GLY HA2 H 3.862 0.000 2 1126 127 132 GLY HA3 H 4.112 0.000 2 1127 127 132 GLY C C 173.171 0.000 1 1128 127 132 GLY CA C 46.591 0.000 1 1129 127 132 GLY N N 107.207 0.000 1 1130 128 133 ILE H H 7.626 0.000 1 1131 128 133 ILE HA H 4.713 0.000 1 1132 128 133 ILE HB H 1.601 0.000 1 1133 128 133 ILE HG12 H 1.116 0.000 2 1134 128 133 ILE HG13 H 0.913 0.000 2 1135 128 133 ILE HD1 H 0.710 0.000 . 1136 128 133 ILE C C 174.068 0.000 1 1137 128 133 ILE CA C 59.778 0.000 1 1138 128 133 ILE CB C 42.643 0.000 1 1139 128 133 ILE CG1 C 25.156 0.000 1 1140 128 133 ILE CG2 C 16.964 0.000 1 1141 128 133 ILE CD1 C 14.115 0.000 1 1142 128 133 ILE N N 115.193 0.000 1 1143 129 134 THR H H 8.628 0.000 1 1144 129 134 THR HA H 5.509 0.000 1 1145 129 134 THR HB H 3.801 0.000 1 1146 129 134 THR HG2 H 0.831 0.000 . 1147 129 134 THR C C 173.482 0.000 1 1148 129 134 THR CA C 61.484 0.000 1 1149 129 134 THR CB C 69.365 0.000 1 1150 129 134 THR CG2 C 22.441 0.000 1 1151 129 134 THR N N 121.977 0.000 1 1152 130 135 VAL H H 8.664 0.000 1 1153 130 135 VAL HA H 5.288 0.000 1 1154 130 135 VAL HB H 1.700 0.000 1 1155 130 135 VAL HG1 H -0.466 0.000 . 1156 130 135 VAL HG2 H 0.557 0.000 . 1157 130 135 VAL C C 173.793 0.000 1 1158 130 135 VAL CA C 57.444 0.000 1 1159 130 135 VAL CB C 36.069 0.000 1 1160 130 135 VAL CG1 C 17.014 0.000 2 1161 130 135 VAL CG2 C 21.316 0.000 2 1162 130 135 VAL N N 117.109 0.000 1 1163 131 136 TYR H H 9.158 0.000 1 1164 131 136 TYR HA H 5.027 0.000 1 1165 131 136 TYR HB2 H 2.351 0.000 2 1166 131 136 TYR HB3 H 2.524 0.000 2 1167 131 136 TYR HD1 H 6.622 0.000 3 1168 131 136 TYR HD2 H 6.622 0.000 3 1169 131 136 TYR HE1 H 6.696 0.000 3 1170 131 136 TYR HE2 H 6.696 0.000 3 1171 131 136 TYR C C 174.695 0.000 1 1172 131 136 TYR CA C 56.751 0.000 1 1173 131 136 TYR CB C 40.115 0.000 1 1174 131 136 TYR CD1 C 132.467 0.000 3 1175 131 136 TYR CE1 C 117.121 0.000 3 1176 131 136 TYR N N 119.332 0.000 1 1177 132 137 SER H H 9.247 0.000 1 1178 132 137 SER HA H 6.140 0.000 1 1179 132 137 SER HB2 H 3.176 0.000 2 1180 132 137 SER HB3 H 2.965 0.000 2 1181 132 137 SER C C 175.331 0.000 1 1182 132 137 SER CA C 56.146 0.000 1 1183 132 137 SER CB C 65.522 0.000 1 1184 132 137 SER N N 116.529 0.000 1 1185 133 138 THR H H 8.550 0.000 1 1186 133 138 THR HA H 5.150 0.000 1 1187 133 138 THR HB H 4.183 0.000 1 1188 133 138 THR HG2 H 1.385 0.000 . 1189 133 138 THR C C 171.249 0.000 1 1190 133 138 THR CA C 61.281 0.000 1 1191 133 138 THR CB C 71.432 0.000 1 1192 133 138 THR CG2 C 19.998 0.000 1 1193 133 138 THR N N 120.798 0.000 1 1194 134 139 GLN H H 8.540 0.000 1 1195 134 139 GLN HA H 6.004 0.000 1 1196 134 139 GLN HB2 H 2.213 0.000 2 1197 134 139 GLN HB3 H 2.213 0.000 2 1198 134 139 GLN HG2 H 2.519 0.000 2 1199 134 139 GLN HG3 H 2.327 0.000 2 1200 134 139 GLN C C 174.695 0.000 1 1201 134 139 GLN CA C 54.206 0.000 1 1202 134 139 GLN CB C 34.020 0.000 1 1203 134 139 GLN CG C 35.423 0.000 1 1204 134 139 GLN N N 126.284 0.000 1 1205 135 140 PHE H H 9.129 0.000 1 1206 135 140 PHE HA H 5.024 0.000 1 1207 135 140 PHE HB2 H 2.774 0.000 2 1208 135 140 PHE HB3 H 2.925 0.000 2 1209 135 140 PHE HE1 H 6.986 0.000 3 1210 135 140 PHE HE2 H 6.986 0.000 3 1211 135 140 PHE HZ H 6.684 0.000 1 1212 135 140 PHE CA C 56.162 0.000 1 1213 135 140 PHE CB C 40.573 0.000 1 1214 135 140 PHE CD1 C 128.377 0.000 3 1215 135 140 PHE CE1 C 133.104 0.000 3 1216 135 140 PHE CZ C 128.424 0.000 1 1217 135 140 PHE N N 122.585 0.000 1 1218 136 141 GLY HA2 H 4.166 0.000 2 1219 136 141 GLY HA3 H 3.861 0.000 2 1220 136 141 GLY C C 174.930 0.000 1 1221 136 141 GLY CA C 46.237 0.000 1 1222 137 142 GLY H H 7.628 0.000 1 1223 137 142 GLY HA2 H 3.752 0.000 2 1224 137 142 GLY HA3 H 4.734 0.000 2 1225 137 142 GLY CA C 44.241 0.000 1 1226 137 142 GLY N N 104.329 0.000 1 1227 138 143 TYR HA H 4.539 0.000 1 1228 138 143 TYR HB2 H 2.980 0.000 2 1229 138 143 TYR HB3 H 2.980 0.000 2 1230 138 143 TYR HD1 H 7.056 0.000 3 1231 138 143 TYR HD2 H 7.056 0.000 3 1232 138 143 TYR HE1 H 6.807 0.000 3 1233 138 143 TYR HE2 H 6.807 0.000 3 1234 138 143 TYR C C 175.382 0.000 1 1235 138 143 TYR CA C 58.046 0.000 1 1236 138 143 TYR CB C 37.634 0.000 1 1237 138 143 TYR CD1 C 132.953 0.000 3 1238 138 143 TYR CE1 C 118.069 0.000 3 1239 139 144 ALA H H 8.793 0.000 1 1240 139 144 ALA HA H 4.558 0.000 1 1241 139 144 ALA HB H 1.009 0.000 . 1242 139 144 ALA C C 176.648 0.000 1 1243 139 144 ALA CA C 52.079 0.000 1 1244 139 144 ALA CB C 19.850 0.000 1 1245 139 144 ALA N N 129.577 0.000 1 1246 140 145 LYS H H 9.626 0.000 1 1247 140 145 LYS HA H 5.069 0.000 1 1248 140 145 LYS HB2 H 1.866 0.000 2 1249 140 145 LYS HB3 H 1.866 0.000 2 1250 140 145 LYS HD2 H 1.564 0.000 2 1251 140 145 LYS HD3 H 1.564 0.000 2 1252 140 145 LYS HE2 H 3.040 0.000 2 1253 140 145 LYS HE3 H 3.040 0.000 2 1254 140 145 LYS C C 177.344 0.000 1 1255 140 145 LYS CA C 54.163 0.000 1 1256 140 145 LYS CB C 35.206 0.000 1 1257 140 145 LYS CE C 42.515 0.000 1 1258 140 145 LYS N N 124.644 0.000 1 1259 141 146 GLU H H 10.620 0.000 1 1260 141 146 GLU HA H 4.186 0.000 1 1261 141 146 GLU HB2 H 2.400 0.000 2 1262 141 146 GLU HB3 H 2.400 0.000 2 1263 141 146 GLU C C 177.371 0.000 1 1264 141 146 GLU CA C 62.262 0.000 1 1265 141 146 GLU CB C 30.206 0.000 1 1266 141 146 GLU CG C 35.757 0.000 1 1267 141 146 GLU N N 125.451 0.000 1 1268 142 147 ALA H H 8.689 0.000 1 1269 142 147 ALA HA H 4.176 0.000 1 1270 142 147 ALA HB H 1.464 0.000 . 1271 142 147 ALA C C 180.748 0.000 1 1272 142 147 ALA CA C 55.275 0.000 1 1273 142 147 ALA CB C 18.779 0.000 1 1274 142 147 ALA N N 115.872 0.000 1 1275 143 148 ASP H H 7.999 0.000 1 1276 143 148 ASP HA H 4.548 0.000 1 1277 143 148 ASP HB2 H 2.786 0.000 2 1278 143 148 ASP HB3 H 2.786 0.000 2 1279 143 148 ASP C C 178.800 0.000 1 1280 143 148 ASP CA C 57.268 0.000 1 1281 143 148 ASP CB C 42.269 0.000 1 1282 143 148 ASP N N 117.021 0.000 1 1283 144 149 TYR H H 8.028 0.000 1 1284 144 149 TYR HA H 4.409 0.000 1 1285 144 149 TYR HB2 H 3.270 0.000 2 1286 144 149 TYR HB3 H 3.583 0.000 2 1287 144 149 TYR HD1 H 7.300 0.000 3 1288 144 149 TYR HD2 H 7.300 0.000 3 1289 144 149 TYR HE1 H 6.792 0.000 3 1290 144 149 TYR HE2 H 6.792 0.000 3 1291 144 149 TYR C C 178.131 0.000 1 1292 144 149 TYR CA C 62.575 0.000 1 1293 144 149 TYR CB C 38.100 0.000 1 1294 144 149 TYR CD1 C 133.832 0.000 3 1295 144 149 TYR CE1 C 117.145 0.000 3 1296 144 149 TYR N N 120.620 0.000 1 1297 145 150 VAL H H 8.401 0.000 1 1298 145 150 VAL HA H 3.925 0.000 1 1299 145 150 VAL HB H 2.127 0.000 1 1300 145 150 VAL HG1 H 1.298 0.000 . 1301 145 150 VAL HG2 H 0.977 0.000 . 1302 145 150 VAL C C 179.522 0.000 1 1303 145 150 VAL CA C 66.470 0.000 1 1304 145 150 VAL CB C 32.376 0.000 1 1305 145 150 VAL CG1 C 23.118 0.000 2 1306 145 150 VAL CG2 C 20.956 0.000 2 1307 145 150 VAL N N 118.653 0.000 1 1308 146 151 ALA H H 8.113 0.000 1 1309 146 151 ALA HA H 4.099 0.000 1 1310 146 151 ALA HB H 1.375 0.000 . 1311 146 151 ALA C C 181.187 0.000 1 1312 146 151 ALA CA C 55.446 0.000 1 1313 146 151 ALA CB C 17.915 0.000 1 1314 146 151 ALA N N 123.374 0.000 1 1315 147 152 HIS H H 8.081 0.000 1 1316 147 152 HIS HA H 4.037 0.000 1 1317 147 152 HIS HB2 H 2.645 0.000 2 1318 147 152 HIS HB3 H 2.645 0.000 2 1319 147 152 HIS HD1 H 6.456 0.000 1 1320 147 152 HIS C C 177.435 0.000 1 1321 147 152 HIS CA C 61.447 0.000 1 1322 147 152 HIS CB C 29.278 0.000 1 1323 147 152 HIS N N 116.638 0.000 1 1324 148 153 ALA H H 8.634 0.000 1 1325 148 153 ALA HA H 3.803 0.000 1 1326 148 153 ALA HB H 1.092 0.000 . 1327 148 153 ALA C C 179.266 0.000 1 1328 148 153 ALA CA C 56.035 0.000 1 1329 148 153 ALA CB C 17.432 0.000 1 1330 148 153 ALA N N 124.868 0.000 1 1331 149 154 THR H H 8.164 0.000 1 1332 149 154 THR HA H 3.737 0.000 1 1333 149 154 THR HB H 4.322 0.000 1 1334 149 154 THR HG2 H 1.197 0.000 . 1335 149 154 THR C C 176.539 0.000 1 1336 149 154 THR CA C 67.099 0.000 1 1337 149 154 THR CB C 68.717 0.000 1 1338 149 154 THR CG2 C 21.732 0.000 1 1339 149 154 THR N N 115.445 0.000 1 1340 150 155 GLN H H 7.822 0.000 1 1341 150 155 GLN HA H 4.061 0.000 1 1342 150 155 GLN HB2 H 2.092 0.000 2 1343 150 155 GLN HB3 H 2.092 0.000 2 1344 150 155 GLN HG2 H 2.267 0.000 2 1345 150 155 GLN HG3 H 2.267 0.000 2 1346 150 155 GLN C C 178.973 0.000 1 1347 150 155 GLN CA C 58.927 0.000 1 1348 150 155 GLN CB C 28.546 0.000 1 1349 150 155 GLN N N 121.242 0.000 1 1350 151 156 LEU H H 8.359 0.000 1 1351 151 156 LEU HA H 3.999 0.000 1 1352 151 156 LEU HB2 H 1.820 0.000 2 1353 151 156 LEU HB3 H 1.431 0.000 2 1354 151 156 LEU HG H 1.223 0.000 1 1355 151 156 LEU HD1 H 0.744 0.000 . 1356 151 156 LEU HD2 H 0.644 0.000 . 1357 151 156 LEU CA C 58.076 0.000 1 1358 151 156 LEU CB C 41.288 0.000 1 1359 151 156 LEU CD1 C 26.693 0.000 2 1360 151 156 LEU CD2 C 23.193 0.000 2 1361 151 156 LEU N N 123.411 0.000 1 1362 152 157 ARG H H 8.355 0.000 1 1363 152 157 ARG HA H 3.357 0.000 1 1364 152 157 ARG HB2 H 1.768 0.000 2 1365 152 157 ARG HB3 H 1.768 0.000 2 1366 152 157 ARG CA C 61.139 0.000 1 1367 152 157 ARG CB C 30.177 0.000 1 1368 152 157 ARG CG C 28.925 0.000 1 1369 152 157 ARG CD C 43.713 0.000 1 1370 152 157 ARG N N 118.876 0.000 1 1371 153 158 THR H H 8.141 0.000 1 1372 153 158 THR HA H 3.876 0.000 1 1373 153 158 THR HB H 4.274 0.000 1 1374 153 158 THR HG2 H 1.247 0.000 . 1375 153 158 THR C C 176.648 0.000 1 1376 153 158 THR CA C 67.052 0.000 1 1377 153 158 THR CB C 68.991 0.000 1 1378 153 158 THR CG2 C 21.893 0.000 1 1379 154 159 THR H H 7.963 0.000 1 1380 154 159 THR HA H 3.879 0.000 1 1381 154 159 THR HB H 4.309 0.000 1 1382 154 159 THR HG2 H 1.252 0.000 . 1383 154 159 THR C C 174.727 0.000 1 1384 154 159 THR CB C 68.717 0.000 1 1385 154 159 THR CG2 C 21.633 0.000 1 1386 154 159 THR N N 120.483 0.000 1 1387 155 160 LEU H H 7.640 0.000 1 1388 155 160 LEU HA H 3.978 0.000 1 1389 155 160 LEU HB2 H 1.079 0.000 2 1390 155 160 LEU HB3 H 1.450 0.000 2 1391 155 160 LEU HG H 1.159 0.000 1 1392 155 160 LEU HD1 H -0.216 0.000 . 1393 155 160 LEU HD2 H -0.425 0.000 . 1394 155 160 LEU C C 178.698 0.000 1 1395 155 160 LEU CA C 55.288 0.000 1 1396 155 160 LEU CB C 41.827 0.000 1 1397 155 160 LEU CG C 25.743 0.000 1 1398 155 160 LEU CD1 C 25.802 0.000 2 1399 155 160 LEU CD2 C 20.509 0.000 2 1400 155 160 LEU N N 118.478 0.000 1 1401 156 161 GLU H H 7.602 0.000 1 1402 156 161 GLU HA H 4.131 0.000 1 1403 156 161 GLU HB2 H 2.124 0.000 2 1404 156 161 GLU HB3 H 2.124 0.000 2 1405 156 161 GLU HG2 H 2.434 0.000 2 1406 156 161 GLU HG3 H 2.434 0.000 2 1407 156 161 GLU CA C 58.715 0.000 1 1408 156 161 GLU N N 123.985 0.000 1 1409 157 162 GLY HA2 H 3.880 0.000 2 1410 157 162 GLY HA3 H 4.165 0.000 2 1411 157 162 GLY C C 174.251 0.000 1 1412 157 162 GLY CA C 45.528 0.000 1 1413 158 163 THR H H 7.801 0.000 1 1414 158 163 THR HA H 5.035 0.000 1 1415 158 163 THR HB H 4.469 0.000 1 1416 158 163 THR HG2 H 1.210 0.000 . 1417 158 163 THR CA C 60.118 0.000 1 1418 158 163 THR CB C 70.012 0.000 1 1419 158 163 THR CG2 C 21.076 0.000 1 1420 158 163 THR N N 112.817 0.000 1 1421 159 164 PRO HA H 4.572 0.000 1 1422 159 164 PRO HB2 H 2.370 0.000 2 1423 159 164 PRO HB3 H 1.997 0.000 2 1424 159 164 PRO HD2 H 3.900 0.000 2 1425 159 164 PRO HD3 H 3.665 0.000 2 1426 159 164 PRO C C 176.087 0.000 1 1427 159 164 PRO CA C 64.263 0.000 1 1428 159 164 PRO CB C 31.611 0.000 1 1429 159 164 PRO CD C 51.275 0.000 1 1430 160 165 ALA H H 7.606 0.000 1 1431 160 165 ALA HA H 4.245 0.000 1 1432 160 165 ALA HB H 0.848 0.000 . 1433 160 165 ALA C C 176.413 0.000 1 1434 160 165 ALA CA C 53.439 0.000 1 1435 160 165 ALA CB C 20.420 0.000 1 1436 160 165 ALA N N 122.818 0.000 1 1437 161 166 THR H H 7.845 0.000 1 1438 161 166 THR HA H 4.372 0.000 1 1439 161 166 THR HB H 4.056 0.000 1 1440 161 166 THR HG2 H 1.114 0.000 . 1441 161 166 THR C C 173.281 0.000 1 1442 161 166 THR CA C 60.076 0.000 1 1443 161 166 THR CB C 71.184 0.000 1 1444 161 166 THR CG2 C 21.870 0.000 1 1445 161 166 THR N N 113.809 0.000 1 1446 162 167 TYR H H 7.665 0.000 1 1447 162 167 TYR HA H 5.751 0.000 1 1448 162 167 TYR HB2 H 2.689 0.000 2 1449 162 167 TYR HB3 H 3.001 0.000 2 1450 162 167 TYR HD1 H 6.660 0.000 3 1451 162 167 TYR HD2 H 6.660 0.000 3 1452 162 167 TYR HE1 H 6.586 0.000 3 1453 162 167 TYR HE2 H 6.586 0.000 3 1454 162 167 TYR C C 175.364 0.000 1 1455 162 167 TYR CA C 55.295 0.000 1 1456 162 167 TYR CB C 41.685 0.000 1 1457 162 167 TYR CD1 C 133.721 0.000 3 1458 162 167 TYR CE1 C 117.361 0.000 3 1459 162 167 TYR N N 118.778 0.000 1 1460 163 168 GLN H H 9.196 0.000 1 1461 163 168 GLN HA H 4.399 0.000 1 1462 163 168 GLN HB2 H 2.491 0.000 2 1463 163 168 GLN HB3 H 2.264 0.000 2 1464 163 168 GLN HE21 H 6.605 0.000 2 1465 163 168 GLN HE22 H 7.839 0.000 2 1466 163 168 GLN CA C 56.501 0.000 1 1467 163 168 GLN CB C 29.663 0.000 1 1468 163 168 GLN CG C 34.422 0.000 1 1469 163 168 GLN N N 120.497 0.000 1 1470 163 168 GLN NE2 N 111.469 0.000 1 1471 164 169 GLY HA2 H 3.893 0.000 2 1472 164 169 GLY HA3 H 4.444 0.000 2 1473 164 169 GLY C C 174.891 0.000 1 1474 164 169 GLY CA C 45.698 0.000 1 1475 165 170 ASP H H 8.961 0.000 1 1476 165 170 ASP HA H 4.619 0.000 1 1477 165 170 ASP HB2 H 2.819 0.000 2 1478 165 170 ASP HB3 H 2.711 0.000 2 1479 165 170 ASP C C 174.763 0.000 1 1480 165 170 ASP CA C 54.291 0.000 1 1481 165 170 ASP CB C 40.815 0.000 1 1482 165 170 ASP N N 116.612 0.000 1 1483 166 171 VAL H H 7.352 0.000 1 1484 166 171 VAL HA H 4.696 0.000 1 1485 166 171 VAL HB H 2.046 0.000 1 1486 166 171 VAL HG1 H 0.623 0.000 . 1487 166 171 VAL HG2 H 0.346 0.000 . 1488 166 171 VAL C C 173.006 0.000 1 1489 166 171 VAL CA C 59.946 0.000 1 1490 166 171 VAL CB C 34.470 0.000 1 1491 166 171 VAL CG1 C 21.813 0.000 2 1492 166 171 VAL CG2 C 21.837 0.000 2 1493 166 171 VAL N N 118.019 0.000 1 1494 167 172 TYR H H 8.030 0.000 1 1495 167 172 TYR HA H 4.544 0.000 1 1496 167 172 TYR HB2 H 3.731 0.000 2 1497 167 172 TYR HB3 H 3.172 0.000 2 1498 167 172 TYR HD1 H 6.775 0.000 3 1499 167 172 TYR HD2 H 6.775 0.000 3 1500 167 172 TYR HE1 H 6.962 0.000 3 1501 167 172 TYR HE2 H 6.962 0.000 3 1502 167 172 TYR C C 171.798 0.000 1 1503 167 172 TYR CA C 56.800 0.000 1 1504 167 172 TYR CB C 39.239 0.000 1 1505 167 172 TYR CD1 C 133.437 0.000 3 1506 167 172 TYR CE1 C 117.633 0.000 3 1507 167 172 TYR N N 120.215 0.000 1 1508 168 173 TYR H H 9.046 0.000 1 1509 168 173 TYR HA H 5.658 0.000 1 1510 168 173 TYR HB2 H 3.001 0.000 2 1511 168 173 TYR HB3 H 2.410 0.000 2 1512 168 173 TYR HD1 H 6.775 0.000 3 1513 168 173 TYR HD2 H 6.775 0.000 3 1514 168 173 TYR HE1 H 6.492 0.000 3 1515 168 173 TYR HE2 H 6.492 0.000 3 1516 168 173 TYR C C 174.342 0.000 1 1517 168 173 TYR CA C 55.971 0.000 1 1518 168 173 TYR CB C 42.094 0.000 1 1519 168 173 TYR CD1 C 133.394 0.000 3 1520 168 173 TYR CE1 C 117.899 0.000 3 1521 168 173 TYR N N 113.970 0.000 1 1522 169 174 CYS H H 8.743 0.000 1 1523 169 174 CYS HA H 4.549 0.000 1 1524 169 174 CYS HB2 H 2.362 0.000 2 1525 169 174 CYS HB3 H 2.957 0.000 2 1526 169 174 CYS C C 173.117 0.000 1 1527 169 174 CYS CA C 56.117 0.000 1 1528 169 174 CYS CB C 31.521 0.000 1 1529 169 174 CYS N N 119.141 0.000 1 1530 170 175 ALA H H 8.563 0.000 1 1531 170 175 ALA HA H 5.645 0.000 1 1532 170 175 ALA HB H 0.616 0.000 . 1533 170 175 ALA C C 178.221 0.000 1 1534 170 175 ALA CA C 50.605 0.000 1 1535 170 175 ALA CB C 22.012 0.000 1 1536 170 175 ALA N N 121.994 0.000 1 1537 171 176 GLY H H 9.112 0.000 1 1538 171 176 GLY HA2 H 5.129 0.000 2 1539 171 176 GLY HA3 H 5.414 0.000 2 1540 171 176 GLY C C 173.031 0.000 1 1541 171 176 GLY CA C 46.599 0.000 1 1542 171 176 GLY N N 110.048 0.000 1 1543 172 177 TYR H H 7.874 0.000 1 1544 172 177 TYR HA H 4.538 0.000 1 1545 172 177 TYR HB2 H 3.447 0.000 2 1546 172 177 TYR HB3 H 3.095 0.000 2 1547 172 177 TYR HD1 H 7.302 0.000 3 1548 172 177 TYR HD2 H 7.302 0.000 3 1549 172 177 TYR C C 174.617 0.000 1 1550 172 177 TYR CA C 60.161 0.000 1 1551 172 177 TYR CB C 40.455 0.000 1 1552 172 177 TYR CD1 C 133.796 0.000 3 1553 172 177 TYR CE1 C 117.941 0.000 3 1554 172 177 TYR N N 120.960 0.000 1 1555 173 178 ASP H H 7.737 0.000 1 1556 173 178 ASP HA H 5.340 0.000 1 1557 173 178 ASP CA C 53.392 0.000 1 1558 173 178 ASP CB C 45.240 0.000 1 1559 173 178 ASP N N 116.778 0.000 1 1560 174 179 PRO CD C 50.510 0.000 1 1561 178 183 PRO HA H 4.258 0.000 1 1562 178 183 PRO HB2 H 2.073 0.000 2 1563 178 183 PRO HB3 H 1.470 0.000 2 1564 178 183 PRO HG2 H 1.918 0.000 2 1565 178 183 PRO HG3 H 1.756 0.000 2 1566 178 183 PRO HD2 H 3.868 0.000 2 1567 178 183 PRO HD3 H 3.427 0.000 2 1568 178 183 PRO C C 175.924 0.000 1 1569 178 183 PRO CA C 64.032 0.000 1 1570 178 183 PRO CB C 32.437 0.000 1 1571 178 183 PRO CG C 27.058 0.000 1 1572 178 183 PRO CD C 51.177 0.000 1 1573 179 184 TYR H H 6.778 0.000 1 1574 179 184 TYR HA H 4.804 0.000 1 1575 179 184 TYR HB2 H 2.766 0.000 2 1576 179 184 TYR HB3 H 2.983 0.000 2 1577 179 184 TYR CA C 55.056 0.000 1 1578 179 184 TYR CB C 40.794 0.000 1 1579 179 184 TYR CD1 C 133.632 0.000 3 1580 179 184 TYR CE1 C 118.976 0.000 3 1581 179 184 TYR N N 115.266 0.000 1 1582 181 186 ARG HA H 4.050 0.000 1 1583 181 186 ARG C C 176.557 0.000 1 1584 181 186 ARG CA C 60.247 0.000 1 1585 182 187 ARG H H 9.522 0.000 1 1586 182 187 ARG HA H 3.820 0.000 1 1587 182 187 ARG C C 173.171 0.000 1 1588 182 187 ARG CA C 56.668 0.000 1 1589 182 187 ARG CB C 34.512 0.000 1 1590 182 187 ARG N N 121.946 0.000 1 1591 183 188 ASN H H 8.557 0.000 1 1592 183 188 ASN HA H 5.524 0.000 1 1593 183 188 ASN HB2 H 1.932 0.000 2 1594 183 188 ASN HB3 H 0.593 0.000 2 1595 183 188 ASN HD21 H 7.751 0.000 2 1596 183 188 ASN HD22 H 5.752 0.000 2 1597 183 188 ASN C C 173.317 0.000 1 1598 183 188 ASN CA C 50.780 0.000 1 1599 183 188 ASN CB C 42.160 0.000 1 1600 183 188 ASN N N 121.930 0.000 1 1601 183 188 ASN ND2 N 121.419 0.000 1 1602 184 189 GLU H H 9.063 0.000 1 1603 184 189 GLU HA H 6.006 0.000 1 1604 184 189 GLU HB2 H 2.320 0.000 2 1605 184 189 GLU HB3 H 2.233 0.000 2 1606 184 189 GLU HG2 H 2.500 0.000 2 1607 184 189 GLU HG3 H 2.500 0.000 2 1608 184 189 GLU C C 176.356 0.000 1 1609 184 189 GLU CA C 54.481 0.000 1 1610 184 189 GLU CB C 35.817 0.000 1 1611 184 189 GLU CG C 35.447 0.000 1 1612 184 189 GLU N N 117.833 0.000 1 1613 185 190 VAL H H 8.189 0.000 1 1614 185 190 VAL HA H 4.863 0.000 1 1615 185 190 VAL HB H 1.952 0.000 1 1616 185 190 VAL HG1 H 1.358 0.000 . 1617 185 190 VAL HG2 H 1.229 0.000 . 1618 185 190 VAL C C 173.628 0.000 1 1619 185 190 VAL CA C 61.692 0.000 1 1620 185 190 VAL CB C 35.754 0.000 1 1621 185 190 VAL CG1 C 22.297 0.000 2 1622 185 190 VAL CG2 C 22.062 0.000 2 1623 185 190 VAL N N 116.293 0.000 1 1624 186 191 TRP H H 9.730 0.000 1 1625 186 191 TRP HA H 5.855 0.000 1 1626 186 191 TRP HB2 H 3.593 0.000 2 1627 186 191 TRP HB3 H 2.663 0.000 2 1628 186 191 TRP HD1 H 7.011 0.000 1 1629 186 191 TRP HE1 H 10.611 0.000 1 1630 186 191 TRP HE3 H 6.802 0.000 1 1631 186 191 TRP HZ2 H 6.700 0.000 1 1632 186 191 TRP HZ3 H 6.189 0.000 1 1633 186 191 TRP HH2 H 5.743 0.000 1 1634 186 191 TRP C C 176.264 0.000 1 1635 186 191 TRP CA C 52.334 0.000 1 1636 186 191 TRP CB C 31.811 0.000 1 1637 186 191 TRP CD1 C 122.681 0.000 1 1638 186 191 TRP CE3 C 119.552 0.000 1 1639 186 191 TRP CZ2 C 112.374 0.000 1 1640 186 191 TRP CZ3 C 120.449 0.000 1 1641 186 191 TRP CH2 C 123.033 0.000 1 1642 186 191 TRP N N 125.344 0.000 1 1643 186 191 TRP NE1 N 129.287 0.000 1 1644 187 192 LEU H H 9.046 0.000 1 1645 187 192 LEU HA H 5.092 0.000 1 1646 187 192 LEU HB2 H 1.504 0.000 2 1647 187 192 LEU HB3 H 1.504 0.000 2 1648 187 192 LEU HG H 1.280 0.000 1 1649 187 192 LEU HD1 H 0.446 0.000 . 1650 187 192 LEU HD2 H -0.045 0.000 . 1651 187 192 LEU C C 177.143 0.000 1 1652 187 192 LEU CA C 53.567 0.000 1 1653 187 192 LEU CB C 42.913 0.000 1 1654 187 192 LEU CD1 C 25.769 0.000 2 1655 187 192 LEU CD2 C 21.782 0.000 2 1656 187 192 LEU N N 122.789 0.000 1 1657 188 193 VAL H H 10.201 0.000 1 1658 188 193 VAL HA H 4.116 0.000 1 1659 188 193 VAL HB H 2.115 0.000 1 1660 188 193 VAL HG1 H 1.160 0.000 . 1661 188 193 VAL C C 175.404 0.000 1 1662 188 193 VAL CA C 63.011 0.000 1 1663 188 193 VAL CB C 33.052 0.000 1 1664 188 193 VAL CG1 C 21.802 0.000 2 1665 188 193 VAL CG2 C 23.160 0.000 2 1666 188 193 VAL N N 125.362 0.000 1 1667 189 194 LYS H H 8.670 0.000 1 1668 189 194 LYS HA H 4.555 0.000 1 1669 189 194 LYS HB2 H 2.290 0.000 2 1670 189 194 LYS HB3 H 2.290 0.000 2 1671 189 194 LYS HG2 H 1.540 0.000 2 1672 189 194 LYS HG3 H 1.540 0.000 2 1673 189 194 LYS HD2 H 1.615 0.000 2 1674 189 194 LYS HD3 H 1.615 0.000 2 1675 189 194 LYS HE2 H 2.984 0.000 2 1676 189 194 LYS HE3 H 2.984 0.000 2 1677 189 194 LYS C C 175.385 0.000 1 1678 189 194 LYS CA C 57.935 0.000 1 1679 189 194 LYS CB C 33.963 0.000 1 1680 189 194 LYS N N 130.296 0.000 1 1681 190 195 ALA H H 7.886 0.000 1 1682 190 195 ALA HA H 4.246 0.000 1 1683 190 195 ALA HB H 1.169 0.000 1 1684 190 195 ALA CA C 53.365 0.000 1 1685 190 195 ALA CB C 20.807 0.000 1 1686 190 195 ALA N N 135.573 0.000 1 stop_ save_