data_16679 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N assignment of the C terminal domain of GNA2132 from Neisseria meningitidis ; _BMRB_accession_number 16679 _BMRB_flat_file_name bmr16679.str _Entry_type original _Submission_date 2010-01-14 _Accession_date 2010-01-14 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; GNA2132, a surface-exposed lipoprotein of Neisseria meningitidis recently discovered by reverse vaccinology, is one of the antigens of Meningococcus and a promising candidate for a universal vaccine against meningitidis. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Esposito Veronica . . 2 Veggi Daniele . . 3 Musi Valeria . . 4 Pizza Mariagrazia . . 5 Pastore Annalisa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 712 "13C chemical shifts" 524 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-18 update BMRB 'original release' 2010-04-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N assignment of the C-terminal domain of GNA2132 from Neisseria meningitidis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20300890 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Esposito Veronica . . 2 Musi Valeria . . 3 Veggi Daniele . . 4 Pastore Annalisa . . 5 Pizza Mariagrazia . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 107 _Page_last 109 _Year 2010 _Details . loop_ _Keyword Antigene 'Neisseria meningitidis' NMR Structure stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GNA 2132' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'GNA 2132' $GNA_2132 stop_ _System_molecular_weight 20609.7 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GNA_2132 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GNA_2132 _Molecular_mass 20609.7 _Mol_thiol_state 'not present' loop_ _Biological_function 'neisseria meningitidis antigen' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 193 _Mol_residue_sequence ; MASLPAEMPLIPVNQADTLI VDGEAVSLTGHSGNIFAPEG NYRYLTYGAEKLPGGSYALR VQGEPAKGEMLAGTAVYNGE VLHFHTENGRPYPTRGRFAA KVDFGSKSVDGIIDSGDDLH MGTQKFKAAIDGNGFKGTWT ENGGGDVSGRFYGPAGEEVA GKYSYRPTDAEKGGFGVFAG KKEQDLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 LEU 5 PRO 6 ALA 7 GLU 8 MET 9 PRO 10 LEU 11 ILE 12 PRO 13 VAL 14 ASN 15 GLN 16 ALA 17 ASP 18 THR 19 LEU 20 ILE 21 VAL 22 ASP 23 GLY 24 GLU 25 ALA 26 VAL 27 SER 28 LEU 29 THR 30 GLY 31 HIS 32 SER 33 GLY 34 ASN 35 ILE 36 PHE 37 ALA 38 PRO 39 GLU 40 GLY 41 ASN 42 TYR 43 ARG 44 TYR 45 LEU 46 THR 47 TYR 48 GLY 49 ALA 50 GLU 51 LYS 52 LEU 53 PRO 54 GLY 55 GLY 56 SER 57 TYR 58 ALA 59 LEU 60 ARG 61 VAL 62 GLN 63 GLY 64 GLU 65 PRO 66 ALA 67 LYS 68 GLY 69 GLU 70 MET 71 LEU 72 ALA 73 GLY 74 THR 75 ALA 76 VAL 77 TYR 78 ASN 79 GLY 80 GLU 81 VAL 82 LEU 83 HIS 84 PHE 85 HIS 86 THR 87 GLU 88 ASN 89 GLY 90 ARG 91 PRO 92 TYR 93 PRO 94 THR 95 ARG 96 GLY 97 ARG 98 PHE 99 ALA 100 ALA 101 LYS 102 VAL 103 ASP 104 PHE 105 GLY 106 SER 107 LYS 108 SER 109 VAL 110 ASP 111 GLY 112 ILE 113 ILE 114 ASP 115 SER 116 GLY 117 ASP 118 ASP 119 LEU 120 HIS 121 MET 122 GLY 123 THR 124 GLN 125 LYS 126 PHE 127 LYS 128 ALA 129 ALA 130 ILE 131 ASP 132 GLY 133 ASN 134 GLY 135 PHE 136 LYS 137 GLY 138 THR 139 TRP 140 THR 141 GLU 142 ASN 143 GLY 144 GLY 145 GLY 146 ASP 147 VAL 148 SER 149 GLY 150 ARG 151 PHE 152 TYR 153 GLY 154 PRO 155 ALA 156 GLY 157 GLU 158 GLU 159 VAL 160 ALA 161 GLY 162 LYS 163 TYR 164 SER 165 TYR 166 ARG 167 PRO 168 THR 169 ASP 170 ALA 171 GLU 172 LYS 173 GLY 174 GLY 175 PHE 176 GLY 177 VAL 178 PHE 179 ALA 180 GLY 181 LYS 182 LYS 183 GLU 184 GLN 185 ASP 186 LEU 187 GLU 188 HIS 189 HIS 190 HIS 191 HIS 192 HIS 193 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 2LFU "The Structure Of A N. Meningitides Protein Targeted For Vaccine Development" 100.00 193 100.00 100.00 4.10e-137 EMBL CAX51093 "transferrin-binding protein-like lipoprotein (lipoprotein GNA2132) [Neisseria meningitidis 8013]" 94.82 496 98.36 98.91 1.23e-125 EMBL CBA09711 "lactoferrin-binding protein [Neisseria meningitidis alpha275]" 94.82 427 100.00 100.00 1.73e-128 EMBL CBN88224 "putative lipoprotein GNA2132 [Neisseria lactamica 020-06]" 94.82 486 98.36 98.36 1.69e-125 EMBL CBX21586 "unnamed protein product [Neisseria lactamica Y92-1009]" 94.82 493 97.81 98.36 3.22e-123 EMBL CCA45797 "immunoglobulin A1 protease IgA1 protease; IgA-specific zinc metalloproteinase, precursor [Neisseria meningitidis alpha522]" 94.82 427 100.00 100.00 2.15e-128 GB AAF42440 "transferrin-binding protein-related protein [Neisseria meningitidis MC58]" 94.82 488 98.36 98.91 1.56e-125 GB AAF42567 "putative lipoprotein GNA2132 [Neisseria meningitidis]" 94.82 426 97.27 97.81 1.81e-123 GB AAF42570 "putative lipoprotein GNA2132 [Neisseria meningitidis]" 94.82 427 100.00 100.00 1.73e-128 GB AAF42571 "putative lipoprotein GNA2132 [Neisseria meningitidis]" 94.82 426 97.27 97.81 1.81e-123 GB AAF42572 "putative lipoprotein GNA2132 [Neisseria meningitidis]" 94.82 426 97.27 97.81 1.46e-123 REF NP_275117 "transferrin-binding protein-like protein [Neisseria meningitidis MC58]" 94.82 488 98.36 98.91 1.56e-125 REF WP_002218235 "membrane protein [Neisseria meningitidis]" 94.82 482 98.36 98.36 5.27e-125 REF WP_002223217 "membrane protein [Neisseria meningitidis]" 94.82 425 98.36 98.91 1.42e-125 REF WP_002224198 "membrane protein [Neisseria meningitidis]" 94.82 492 97.27 98.91 6.27e-124 REF WP_002224716 "membrane protein [Neisseria meningitidis]" 94.82 427 100.00 100.00 1.73e-128 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GNA_2132 'Neisseria meningitidis' 487 Eubacteria . Neisseria meningitidis 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 $GNA_2132 'recombinant technology' . Escherichia coli BL21(DE3)-pLysS pET21b+ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details 'GNA2132 0.5 mM uniformelly 13C and 15N labelled, 20 mM tris HCl, 50 mM sodium chloride, 30 mM dodecylphosphocoline' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GNA_2132 0.5 mM '[U-100% 13C; U-100% 15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DPC 30 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard 'University of California, San Francisco' sparky@cgl.ucsf.edu stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'A graphical NMR assignment and integration program for proteins, nucleic acids, and other polymers' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spec700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . atm temperature 313 . 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 H2O H 1 protons ppm 4.695 internal direct . . . 1.000000000 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 $SPARKY stop_ loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'GNA 2132' _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 34 34 ASN HA H 4.721 0001 1 2 34 34 ASN HB2 H 2.822 0000 2 3 34 34 ASN HB3 H 2.766 0008 2 4 34 34 ASN HD21 H 7.542 0007 2 5 34 34 ASN HD22 H 6.825 0012 2 6 34 34 ASN C C 175.492 0000 1 7 34 34 ASN CA C 53.498 0092 1 8 34 34 ASN CB C 38.606 0030 1 9 34 34 ASN ND2 N 112.037 0045 1 10 35 35 ILE H H 7.744 0007 1 11 35 35 ILE HA H 4.034 0005 1 12 35 35 ILE HB H 1.681 0004 1 13 35 35 ILE HD1 H 0.673 0003 2 14 35 35 ILE HG12 H 1.171 0001 2 15 35 35 ILE HG13 H 0.985 0007 2 16 35 35 ILE HG2 H 0.529 0006 2 17 35 35 ILE C C 175.151 0061 1 18 35 35 ILE CA C 62.011 0043 1 19 35 35 ILE CB C 38.543 0042 1 20 35 35 ILE CD1 C 13.329 0004 1 21 35 35 ILE CG1 C 27.477 0028 1 22 35 35 ILE CG2 C 17.303 0022 1 23 35 35 ILE N N 119.173 0030 1 24 36 36 PHE H H 7.764 0007 1 25 36 36 PHE HA H 4.586 0004 1 26 36 36 PHE HB2 H 3.169 0007 2 27 36 36 PHE HB3 H 2.890 0005 2 28 36 36 PHE HD1 H 7.095 0000 3 29 36 36 PHE HD2 H 7.095 0000 3 30 36 36 PHE HE1 H 7.162 0005 3 31 36 36 PHE HE2 H 7.162 0005 3 32 36 36 PHE HZ H 7.175 0000 1 33 36 36 PHE C C 173.411 0013 1 34 36 36 PHE CA C 56.957 0048 1 35 36 36 PHE CB C 39.326 0063 1 36 36 36 PHE CE1 C 130.783 0008 1 37 36 36 PHE CE2 C 130.783 0008 1 38 36 36 PHE CZ C 128.363 0000 1 39 36 36 PHE N N 120.400 0077 1 40 37 37 ALA H H 7.566 0006 1 41 37 37 ALA HA H 4.650 0029 1 42 37 37 ALA HB H 1.338 0023 2 43 37 37 ALA C C 175.007 0000 1 44 37 37 ALA CA C 50.095 0026 1 45 37 37 ALA CB C 19.822 0030 1 46 37 37 ALA N N 121.973 0037 1 47 38 38 PRO C C 176.850 0000 1 48 38 38 PRO CA C 62.961 0010 1 49 38 38 PRO CB C 31.836 0000 1 50 39 39 GLU H H 10.774 0014 1 51 39 39 GLU HA H 4.337 0008 1 52 39 39 GLU HB2 H 2.047 0015 2 53 39 39 GLU HB3 H 1.976 0000 2 54 39 39 GLU HG2 H 2.326 0018 2 55 39 39 GLU HG3 H 2.277 0012 2 56 39 39 GLU C C 178.558 0015 1 57 39 39 GLU CA C 57.325 0066 1 58 39 39 GLU CB C 30.904 0010 1 59 39 39 GLU CG C 36.799 0000 1 60 39 39 GLU N N 125.257 0070 1 61 40 40 GLY H H 8.964 0009 1 62 40 40 GLY HA2 H 3.976 0004 2 63 40 40 GLY HA3 H 3.428 0004 2 64 40 40 GLY C C 172.044 0009 1 65 40 40 GLY CA C 44.898 0073 1 66 40 40 GLY N N 108.859 0032 1 67 41 41 ASN H H 7.966 0005 1 68 41 41 ASN HA H 4.752 0005 1 69 41 41 ASN HB2 H 2.672 0000 2 70 41 41 ASN HB3 H 2.564 0000 2 71 41 41 ASN C C 174.187 0000 1 72 41 41 ASN CA C 52.524 0018 1 73 41 41 ASN CB C 39.142 0000 1 74 41 41 ASN N N 117.206 0030 1 75 42 42 TYR H H 8.251 0006 1 76 42 42 TYR HA H 4.589 0008 1 77 42 42 TYR HB2 H 3.488 0012 2 78 42 42 TYR HB3 H 2.764 0009 2 79 42 42 TYR HD1 H 7.088 0003 3 80 42 42 TYR HD2 H 7.088 0003 3 81 42 42 TYR HE1 H 6.721 0007 3 82 42 42 TYR HE2 H 6.721 0007 3 83 42 42 TYR C C 175.933 0020 1 84 42 42 TYR CA C 58.812 0018 1 85 42 42 TYR CB C 39.580 0057 1 86 42 42 TYR CD1 C 132.175 0008 1 87 42 42 TYR CD2 C 132.175 0008 1 88 42 42 TYR CE1 C 116.606 0002 1 89 42 42 TYR CE2 C 116.606 0002 1 90 42 42 TYR N N 122.835 0029 1 91 43 43 ARG H H 12.166 0007 1 92 43 43 ARG HA H 4.279 0016 1 93 43 43 ARG HB2 H 1.351 0000 2 94 43 43 ARG HB3 H 1.254 0030 2 95 43 43 ARG HD2 H 3.040 0001 2 96 43 43 ARG HD3 H 3.040 0001 2 97 43 43 ARG HG2 H 1.179 0000 2 98 43 43 ARG HG3 H 1.179 0000 2 99 43 43 ARG C C 177.760 0001 1 100 43 43 ARG CA C 56.854 0060 1 101 43 43 ARG CB C 32.269 0036 1 102 43 43 ARG CD C 43.359 0000 1 103 43 43 ARG CG C 26.995 0003 1 104 43 43 ARG N N 127.889 0049 1 105 44 44 TYR H H 10.476 0009 1 106 44 44 TYR HA H 4.772 0008 1 107 44 44 TYR HB2 H 3.518 0010 2 108 44 44 TYR HB3 H 2.857 0006 2 109 44 44 TYR HD1 H 7.186 0004 3 110 44 44 TYR HD2 H 7.186 0004 3 111 44 44 TYR HE1 H 6.876 0006 3 112 44 44 TYR HE2 H 6.876 0006 3 113 44 44 TYR C C 174.079 0006 1 114 44 44 TYR CA C 58.561 0030 1 115 44 44 TYR CB C 39.945 0079 1 116 44 44 TYR CD1 C 132.578 0006 1 117 44 44 TYR CD2 C 132.578 0006 1 118 44 44 TYR CE1 C 117.477 0017 1 119 44 44 TYR CE2 C 117.477 0017 1 120 44 44 TYR N N 120.566 0037 1 121 45 45 LEU H H 7.173 0004 1 122 45 45 LEU HA H 4.719 0004 1 123 45 45 LEU HB2 H 1.106 0014 2 124 45 45 LEU HB3 H 0.884 0005 2 125 45 45 LEU HD1 H 0.291 0006 2 126 45 45 LEU HD2 H 0.097 0008 2 127 45 45 LEU HG H 1.537 0004 1 128 45 45 LEU C C 175.351 0012 1 129 45 45 LEU CA C 54.132 0015 1 130 45 45 LEU CB C 44.910 0057 1 131 45 45 LEU CD1 C 25.397 0032 2 132 45 45 LEU CD2 C 25.299 0070 2 133 45 45 LEU CG C 25.483 0000 1 134 45 45 LEU N N 117.362 0064 1 135 46 46 THR H H 8.446 0008 1 136 46 46 THR HA H 4.398 0007 1 137 46 46 THR HB H 4.036 0006 1 138 46 46 THR HG2 H 1.063 0006 2 139 46 46 THR C C 172.141 0035 1 140 46 46 THR CA C 60.620 0022 1 141 46 46 THR CB C 71.100 0041 1 142 46 46 THR CG2 C 20.861 0045 1 143 46 46 THR N N 114.096 0044 1 144 47 47 TYR H H 8.056 0011 1 145 47 47 TYR HA H 5.587 0014 1 146 47 47 TYR HB2 H 2.883 0023 2 147 47 47 TYR HB3 H 2.803 0001 2 148 47 47 TYR HD1 H 6.730 0025 3 149 47 47 TYR HD2 H 6.730 0025 3 150 47 47 TYR HE1 H 6.646 0006 3 151 47 47 TYR HE2 H 6.646 0006 3 152 47 47 TYR C C 174.645 0012 1 153 47 47 TYR CA C 55.821 0062 1 154 47 47 TYR CB C 41.670 0044 1 155 47 47 TYR CD1 C 131.938 0008 1 156 47 47 TYR CD2 C 131.938 0008 1 157 47 47 TYR CE1 C 116.877 0019 1 158 47 47 TYR CE2 C 116.877 0019 1 159 47 47 TYR N N 119.162 0091 1 160 48 48 GLY H H 8.587 0007 1 161 48 48 GLY HA2 H 4.311 0002 2 162 48 48 GLY HA3 H 3.829 0004 2 163 48 48 GLY C C 170.921 0003 1 164 48 48 GLY CA C 44.900 0055 1 165 48 48 GLY N N 107.125 0029 1 166 49 49 ALA H H 8.627 0009 1 167 49 49 ALA HA H 5.617 0005 1 168 49 49 ALA HB H 1.308 0006 2 169 49 49 ALA C C 176.054 0007 1 170 49 49 ALA CA C 50.681 0062 1 171 49 49 ALA CB C 22.601 0000 1 172 49 49 ALA N N 122.814 0097 1 173 50 50 GLU H H 8.829 0006 1 174 50 50 GLU HA H 4.684 0012 1 175 50 50 GLU HB2 H 1.989 0011 2 176 50 50 GLU HB3 H 1.899 0004 2 177 50 50 GLU HG2 H 2.155 0000 2 178 50 50 GLU HG3 H 2.116 0000 2 179 50 50 GLU C C 174.366 0009 1 180 50 50 GLU CA C 54.726 0049 1 181 50 50 GLU CB C 33.347 0077 1 182 50 50 GLU CG C 35.594 0000 1 183 50 50 GLU N N 121.551 0050 1 184 51 51 LYS H H 8.697 0012 1 185 51 51 LYS HA H 3.922 0006 1 186 51 51 LYS HB2 H 1.692 0006 2 187 51 51 LYS HB3 H 1.450 0009 2 188 51 51 LYS HD2 H 1.552 0018 2 189 51 51 LYS HD3 H 1.552 0018 2 190 51 51 LYS HE2 H 2.909 0004 2 191 51 51 LYS HE3 H 2.909 0004 2 192 51 51 LYS HG2 H 1.174 0007 2 193 51 51 LYS HG3 H 0.900 0003 2 194 51 51 LYS C C 175.810 0000 1 195 51 51 LYS CA C 56.592 0049 1 196 51 51 LYS CB C 32.870 0070 1 197 51 51 LYS CD C 29.369 0019 1 198 51 51 LYS CG C 24.804 0060 1 199 51 51 LYS N N 126.165 0056 1 200 52 52 LEU H H 8.655 0009 1 201 52 52 LEU HA H 4.645 0000 1 202 52 52 LEU HB2 H 1.438 0000 2 203 52 52 LEU HB3 H 1.438 0000 2 204 52 52 LEU HD1 H 0.745 0008 2 205 52 52 LEU C C 175.745 0000 1 206 52 52 LEU CA C 52.832 0005 1 207 52 52 LEU CB C 40.739 0023 1 208 52 52 LEU N N 128.672 0051 1 209 54 54 GLY HA2 H 4.095 0010 2 210 54 54 GLY HA3 H 3.864 0001 2 211 54 54 GLY C C 175.641 0000 1 212 54 54 GLY CA C 45.548 0013 1 213 55 55 GLY H H 8.083 0002 1 214 55 55 GLY HA2 H 4.378 0008 2 215 55 55 GLY HA3 H 3.537 0009 2 216 55 55 GLY C C 174.167 0040 1 217 55 55 GLY CA C 45.670 0048 1 218 55 55 GLY N N 107.253 0078 1 219 56 56 SER H H 7.184 0006 1 220 56 56 SER HA H 4.768 0010 1 221 56 56 SER HB2 H 3.862 0004 2 222 56 56 SER HB3 H 3.700 0004 2 223 56 56 SER C C 171.519 0001 1 224 56 56 SER CA C 58.446 0071 1 225 56 56 SER CB C 64.186 0026 1 226 56 56 SER N N 113.757 0043 1 227 57 57 TYR H H 8.856 0009 1 228 57 57 TYR HA H 5.195 0008 1 229 57 57 TYR HB2 H 2.578 0013 2 230 57 57 TYR HB3 H 2.578 0013 2 231 57 57 TYR HD1 H 6.721 0004 3 232 57 57 TYR HD2 H 6.721 0004 3 233 57 57 TYR HE1 H 6.409 0007 3 234 57 57 TYR HE2 H 6.409 0007 3 235 57 57 TYR C C 174.269 0002 1 236 57 57 TYR CA C 57.253 0068 1 237 57 57 TYR CB C 42.375 0021 1 238 57 57 TYR CD1 C 126.559 0006 1 239 57 57 TYR CD2 C 126.559 0006 1 240 57 57 TYR CE1 C 128.669 0008 1 241 57 57 TYR CE2 C 128.669 0008 1 242 57 57 TYR N N 118.122 0059 1 243 58 58 ALA H H 9.081 0007 1 244 58 58 ALA HA H 5.091 0012 1 245 58 58 ALA HB H 1.238 0008 2 246 58 58 ALA C C 176.194 0000 1 247 58 58 ALA CA C 50.262 0059 1 248 58 58 ALA CB C 20.678 0024 1 249 58 58 ALA N N 122.640 0064 1 250 59 59 LEU HA H 5.089 0005 1 251 59 59 LEU HB2 H 1.626 0007 2 252 59 59 LEU HB3 H 1.626 0007 2 253 59 59 LEU HD1 H 0.858 0003 2 254 59 59 LEU HD2 H 0.761 0028 2 255 59 59 LEU C C 175.090 0000 1 256 59 59 LEU CA C 53.916 0024 1 257 59 59 LEU CB C 43.600 0038 1 258 60 60 ARG H H 8.832 0008 1 259 60 60 ARG HA H 5.155 0006 1 260 60 60 ARG HB2 H 1.626 0011 2 261 60 60 ARG HB3 H 1.626 0011 2 262 60 60 ARG HD2 H 3.036 0009 2 263 60 60 ARG HD3 H 3.036 0009 2 264 60 60 ARG HG2 H 1.433 0020 2 265 60 60 ARG HG3 H 1.433 0020 2 266 60 60 ARG CA C 54.562 0041 1 267 60 60 ARG CB C 33.678 0017 1 268 60 60 ARG CD C 43.280 0000 1 269 60 60 ARG CG C 27.445 0002 1 270 60 60 ARG N N 123.164 0068 1 271 61 61 VAL H H 8.358 0022 1 272 61 61 VAL HA H 4.667 0010 1 273 61 61 VAL HB H 1.771 0006 1 274 61 61 VAL HG1 H 0.696 0003 2 275 61 61 VAL HG2 H 0.696 0003 2 276 61 61 VAL CA C 60.873 0022 1 277 61 61 VAL CB C 33.848 0037 1 278 61 61 VAL N N 122.516 0074 1 279 62 62 GLN H H 8.488 0007 1 280 62 62 GLN HA H 4.883 0012 1 281 62 62 GLN HB2 H 1.995 0010 2 282 62 62 GLN HB3 H 1.810 0012 2 283 62 62 GLN HE21 H 7.276 0009 2 284 62 62 GLN HE22 H 6.679 0006 2 285 62 62 GLN HG2 H 2.145 0004 2 286 62 62 GLN HG3 H 2.145 0004 2 287 62 62 GLN C C 173.709 0017 1 288 62 62 GLN CA C 54.156 0033 1 289 62 62 GLN CB C 32.110 0070 1 290 62 62 GLN CG C 33.967 0054 1 291 62 62 GLN N N 125.615 0042 1 292 62 62 GLN NE2 N 110.785 0071 1 293 63 63 GLY H H 8.111 0009 1 294 63 63 GLY C C 172.393 0009 1 295 63 63 GLY CA C 45.720 0014 1 296 63 63 GLY N N 107.847 0068 1 297 64 64 GLU H H 8.522 0011 1 298 64 64 GLU HA H 4.978 0003 1 299 64 64 GLU HB2 H 2.179 0013 2 300 64 64 GLU HB3 H 2.179 0013 2 301 64 64 GLU HG2 H 2.264 0031 2 302 64 64 GLU HG3 H 2.264 0031 2 303 64 64 GLU C C 173.283 0000 1 304 64 64 GLU CA C 53.246 0054 1 305 64 64 GLU CB C 30.746 0000 1 306 64 64 GLU CG C 35.760 0000 1 307 64 64 GLU N N 122.887 0014 1 308 65 65 PRO HA H 4.392 0000 1 309 65 65 PRO HB2 H 2.311 0000 2 310 65 65 PRO HB3 H 1.925 0004 2 311 65 65 PRO HD2 H 3.852 0000 2 312 65 65 PRO HD3 H 3.662 0000 2 313 65 65 PRO C C 176.129 0016 1 314 65 65 PRO CA C 62.671 0098 1 315 65 65 PRO CB C 32.764 0055 1 316 65 65 PRO CD C 50.636 0031 1 317 66 66 ALA H H 8.218 0013 1 318 66 66 ALA HA H 4.428 0003 1 319 66 66 ALA HB H 1.133 0008 2 320 66 66 ALA C C 177.421 0018 1 321 66 66 ALA CA C 51.929 0059 1 322 66 66 ALA CB C 20.489 0057 1 323 66 66 ALA N N 124.108 0098 1 324 67 67 LYS H H 8.407 0008 1 325 67 67 LYS HA H 4.428 0015 1 326 67 67 LYS HB2 H 1.727 0016 2 327 67 67 LYS HB3 H 1.727 0016 2 328 67 67 LYS HG2 H 1.499 0000 2 329 67 67 LYS HG3 H 1.499 0000 2 330 67 67 LYS C C 177.935 0055 1 331 67 67 LYS CA C 55.531 0078 1 332 67 67 LYS CB C 31.910 0024 1 333 67 67 LYS CD C 29.581 0000 1 334 67 67 LYS CE C 42.664 0000 1 335 67 67 LYS CG C 25.295 0000 1 336 67 67 LYS N N 121.227 0065 1 337 68 68 GLY H H 8.838 0008 1 338 68 68 GLY HA2 H 3.749 0013 2 339 68 68 GLY HA3 H 3.367 0002 2 340 68 68 GLY C C 175.554 0013 1 341 68 68 GLY CA C 47.754 0046 1 342 68 68 GLY N N 112.822 0084 1 343 69 69 GLU H H 9.484 0006 1 344 69 69 GLU HA H 4.220 0005 1 345 69 69 GLU HB2 H 2.034 0004 2 346 69 69 GLU HB3 H 2.034 0004 2 347 69 69 GLU HG2 H 2.312 0010 2 348 69 69 GLU HG3 H 2.207 0000 2 349 69 69 GLU C C 177.050 0009 1 350 69 69 GLU CA C 58.445 0090 1 351 69 69 GLU CB C 28.517 0020 1 352 69 69 GLU CG C 36.617 0000 1 353 69 69 GLU N N 118.085 0029 1 354 70 70 MET H H 7.703 0005 1 355 70 70 MET HA H 4.482 0008 1 356 70 70 MET HB2 H 2.345 0000 2 357 70 70 MET HB3 H 2.345 0000 2 358 70 70 MET HG2 H 2.659 0007 2 359 70 70 MET HG3 H 2.659 0007 2 360 70 70 MET C C 175.712 0003 1 361 70 70 MET CA C 54.461 0056 1 362 70 70 MET CB C 32.272 0062 1 363 70 70 MET N N 116.787 0073 1 364 71 71 LEU H H 6.891 0006 1 365 71 71 LEU HA H 3.686 0009 1 366 71 71 LEU HB2 H 1.309 0008 2 367 71 71 LEU HB3 H -0.457 0003 2 368 71 71 LEU HD1 H 0.489 0004 2 369 71 71 LEU HD2 H -0.020 0004 2 370 71 71 LEU HG H 1.433 0012 1 371 71 71 LEU C C 174.599 0003 1 372 71 71 LEU CA C 54.145 0072 1 373 71 71 LEU CB C 38.703 0061 1 374 71 71 LEU CD1 C 25.094 0067 2 375 71 71 LEU CD2 C 21.036 0078 2 376 71 71 LEU N N 120.522 0028 1 377 72 72 ALA H H 7.631 0011 1 378 72 72 ALA HA H 4.463 0012 1 379 72 72 ALA HB H 1.271 0004 2 380 72 72 ALA C C 176.366 0006 1 381 72 72 ALA CA C 51.613 0064 1 382 72 72 ALA CB C 22.608 0024 1 383 72 72 ALA N N 125.708 0041 1 384 73 73 GLY H H 8.892 0009 1 385 73 73 GLY HA2 H 4.341 0006 2 386 73 73 GLY HA3 H 3.954 0007 2 387 73 73 GLY C C 172.907 0004 1 388 73 73 GLY CA C 45.073 0027 1 389 73 73 GLY N N 109.201 0028 1 390 74 74 THR H H 8.148 0012 1 391 74 74 THR HA H 5.424 0019 1 392 74 74 THR HB H 4.202 0011 1 393 74 74 THR HG2 H 1.183 0005 2 394 74 74 THR C C 174.461 0001 1 395 74 74 THR CA C 59.846 0088 1 396 74 74 THR CB C 71.487 0066 1 397 74 74 THR CG2 C 21.691 0067 1 398 74 74 THR N N 111.224 0076 1 399 75 75 ALA H H 9.161 0005 1 400 75 75 ALA HA H 4.750 0036 1 401 75 75 ALA HB H 1.421 0006 2 402 75 75 ALA C C 174.869 0000 1 403 75 75 ALA CA C 51.613 0036 1 404 75 75 ALA CB C 24.453 0044 1 405 75 75 ALA N N 124.773 0056 1 406 76 76 VAL H H 8.488 0008 1 407 76 76 VAL HA H 4.945 0007 1 408 76 76 VAL HB H 1.843 0009 1 409 76 76 VAL HG1 H 0.918 0013 2 410 76 76 VAL HG2 H 0.886 0007 2 411 76 76 VAL C C 174.279 0004 1 412 76 76 VAL CA C 61.190 0062 1 413 76 76 VAL CB C 34.426 0051 1 414 76 76 VAL N N 121.304 0051 1 415 77 77 TYR H H 9.166 0008 1 416 77 77 TYR HA H 5.293 0009 1 417 77 77 TYR HB2 H 2.741 0010 2 418 77 77 TYR HB3 H 2.605 0000 2 419 77 77 TYR HD1 H 6.828 0025 3 420 77 77 TYR HD2 H 6.828 0025 3 421 77 77 TYR HE1 H 6.780 0004 3 422 77 77 TYR HE2 H 6.780 0004 3 423 77 77 TYR C C 174.942 0000 1 424 77 77 TYR CA C 56.653 0063 1 425 77 77 TYR CB C 42.877 0018 1 426 77 77 TYR CD1 C 131.616 0015 1 427 77 77 TYR CD2 C 131.616 0015 1 428 77 77 TYR CE1 C 117.125 0028 1 429 77 77 TYR CE2 C 117.125 0028 1 430 77 77 TYR N N 122.993 0042 1 431 78 78 ASN H H 8.313 0003 1 432 78 78 ASN HA H 5.420 0006 1 433 78 78 ASN HB2 H 2.854 0006 2 434 78 78 ASN HB3 H 2.854 0006 2 435 78 78 ASN HD21 H 7.944 0009 2 436 78 78 ASN HD22 H 6.849 0005 2 437 78 78 ASN C C 175.285 0031 1 438 78 78 ASN CA C 52.427 0077 1 439 78 78 ASN CB C 43.270 0064 1 440 78 78 ASN N N 116.891 0033 1 441 78 78 ASN ND2 N 114.509 0066 1 442 79 79 GLY H H 8.789 0004 1 443 79 79 GLY HA2 H 5.378 0004 2 444 79 79 GLY HA3 H 4.776 0003 2 445 79 79 GLY C C 173.180 0000 1 446 79 79 GLY CA C 47.622 0042 1 447 79 79 GLY N N 109.813 0058 1 448 80 80 GLU H H 9.421 0004 1 449 80 80 GLU HA H 5.299 0013 1 450 80 80 GLU HB2 H 2.311 0004 2 451 80 80 GLU HB3 H 2.311 0004 2 452 80 80 GLU HG2 H 2.571 0002 2 453 80 80 GLU HG3 H 2.300 0000 2 454 80 80 GLU C C 173.291 0016 1 455 80 80 GLU CA C 54.947 0073 1 456 80 80 GLU CB C 34.470 0033 1 457 80 80 GLU CG C 35.529 0028 1 458 80 80 GLU N N 123.088 0031 1 459 81 81 VAL H H 7.145 0005 1 460 81 81 VAL HA H 5.027 0007 1 461 81 81 VAL HB H 1.462 0007 1 462 81 81 VAL HG1 H 1.213 0014 2 463 81 81 VAL HG2 H 1.000 0005 2 464 81 81 VAL C C 175.101 0005 1 465 81 81 VAL CA C 60.333 0046 1 466 81 81 VAL CB C 37.865 0046 1 467 81 81 VAL CG1 C 23.648 0034 1 468 81 81 VAL CG2 C 23.648 0034 1 469 81 81 VAL N N 118.356 0032 1 470 82 82 LEU H H 8.877 0008 1 471 82 82 LEU HA H 4.906 0005 1 472 82 82 LEU HB2 H 1.747 0011 2 473 82 82 LEU HB3 H 1.208 0015 2 474 82 82 LEU HD1 H 0.799 0008 2 475 82 82 LEU HD2 H 0.603 0004 2 476 82 82 LEU HG H 1.270 0000 1 477 82 82 LEU C C 171.875 0013 1 478 82 82 LEU CA C 54.916 0071 1 479 82 82 LEU CB C 43.724 0051 1 480 82 82 LEU CD1 C 26.359 0000 2 481 82 82 LEU CD2 C 23.206 0010 2 482 82 82 LEU CG C 27.234 0000 1 483 82 82 LEU N N 130.274 0025 1 484 83 83 HIS H H 8.826 0007 1 485 83 83 HIS HA H 5.114 0011 1 486 83 83 HIS HB2 H 3.220 0007 2 487 83 83 HIS HB3 H 2.747 0005 2 488 83 83 HIS HD2 H 7.100 0000 1 489 83 83 HIS HE1 H 7.153 0000 1 490 83 83 HIS C C 173.406 0028 1 491 83 83 HIS CA C 55.536 0030 1 492 83 83 HIS CB C 35.049 0067 1 493 83 83 HIS N N 126.750 0057 1 494 84 84 PHE H H 8.616 0007 1 495 84 84 PHE HA H 4.887 0009 1 496 84 84 PHE HB2 H 2.071 0010 2 497 84 84 PHE HB3 H 1.622 0007 2 498 84 84 PHE HD1 H 6.776 0002 3 499 84 84 PHE HD2 H 6.776 0002 3 500 84 84 PHE HE1 H 6.943 0001 3 501 84 84 PHE HE2 H 6.943 0001 3 502 84 84 PHE HZ H 6.978 0004 1 503 84 84 PHE C C 174.106 0020 1 504 84 84 PHE CA C 56.695 0061 1 505 84 84 PHE CB C 41.813 0020 1 506 84 84 PHE CD1 C 131.214 0046 1 507 84 84 PHE CD2 C 131.214 0046 1 508 84 84 PHE CE1 C 127.020 0000 1 509 84 84 PHE CE2 C 127.020 0000 1 510 84 84 PHE CZ C 129.107 0023 1 511 84 84 PHE N N 121.708 0053 1 512 85 85 HIS H H 7.878 0006 1 513 85 85 HIS HA H 5.052 0006 1 514 85 85 HIS HB2 H 3.585 0005 2 515 85 85 HIS HB3 H 3.147 0005 2 516 85 85 HIS HD2 H 6.726 0000 1 517 85 85 HIS HE1 H 6.772 0005 1 518 85 85 HIS C C 173.181 0000 1 519 85 85 HIS CA C 54.073 0013 1 520 85 85 HIS CB C 31.875 0043 1 521 85 85 HIS N N 116.079 0057 1 522 87 87 GLU HA H 4.474 0015 1 523 87 87 GLU HB2 H 2.205 0000 2 524 87 87 GLU HB3 H 2.205 0000 2 525 87 87 GLU CA C 56.370 0043 1 526 87 87 GLU CB C 29.474 0031 1 527 87 87 GLU CG C 36.567 0000 1 528 88 88 ASN H H 7.879 0007 1 529 88 88 ASN HA H 4.694 0005 1 530 88 88 ASN HB2 H 2.833 0006 2 531 88 88 ASN HB3 H 2.792 0008 2 532 88 88 ASN CA C 55.191 0050 1 533 88 88 ASN CB C 42.239 0068 1 534 88 88 ASN N N 124.352 0076 1 535 89 89 GLY H H 8.345 0005 1 536 89 89 GLY HA2 H 4.184 0004 2 537 89 89 GLY HA3 H 3.611 0006 2 538 89 89 GLY CA C 45.571 0030 1 539 89 89 GLY N N 112.768 0054 1 540 90 90 ARG H H 7.839 0004 1 541 90 90 ARG HA H 4.968 0004 1 542 90 90 ARG HB2 H 1.866 0004 2 543 90 90 ARG HB3 H 1.866 0004 2 544 90 90 ARG HD2 H 3.229 0005 2 545 90 90 ARG HD3 H 3.229 0005 2 546 90 90 ARG HG2 H 1.656 0012 2 547 90 90 ARG HG3 H 1.656 0012 2 548 90 90 ARG CA C 52.968 0037 1 549 90 90 ARG CB C 32.098 0027 1 550 90 90 ARG CD C 43.645 0000 1 551 90 90 ARG CG C 26.756 0000 1 552 90 90 ARG N N 120.996 0048 1 553 91 91 PRO CA C 62.164 0000 1 554 91 91 PRO CB C 32.186 0000 1 555 92 92 TYR H H 8.979 0009 1 556 92 92 TYR HA H 4.983 0002 1 557 92 92 TYR HB2 H 2.798 0002 2 558 92 92 TYR HB3 H 2.315 0004 2 559 92 92 TYR CA C 55.278 0018 1 560 92 92 TYR CB C 40.955 0070 1 561 92 92 TYR N N 122.337 0025 1 562 93 93 PRO HA H 5.422 0008 1 563 93 93 PRO HB2 H 1.535 0008 2 564 93 93 PRO HB3 H 1.355 0009 2 565 93 93 PRO HG2 H 2.023 0001 2 566 93 93 PRO HG3 H 1.831 0009 2 567 93 93 PRO C C 177.065 0000 1 568 93 93 PRO CA C 60.947 0022 1 569 93 93 PRO CB C 32.670 0039 1 570 93 93 PRO CG C 26.393 0003 1 571 94 94 THR H H 9.379 0008 1 572 94 94 THR HA H 4.536 0007 1 573 94 94 THR HB H 4.298 0006 1 574 94 94 THR HG2 H 1.360 0004 2 575 94 94 THR C C 172.572 0013 1 576 94 94 THR CA C 60.896 0063 1 577 94 94 THR CB C 73.109 0050 1 578 94 94 THR CG2 C 23.311 0000 1 579 94 94 THR N N 112.246 0068 1 580 95 95 ARG H H 8.474 0009 1 581 95 95 ARG HA H 5.140 0004 1 582 95 95 ARG HB2 H 2.067 0006 2 583 95 95 ARG HB3 H 1.834 0026 2 584 95 95 ARG C C 176.061 0032 1 585 95 95 ARG CA C 54.262 0069 1 586 95 95 ARG CB C 31.475 0042 1 587 95 95 ARG CG C 27.663 0000 1 588 95 95 ARG N N 119.707 0062 1 589 96 96 GLY H H 8.682 0008 1 590 96 96 GLY HA2 H 4.454 0005 2 591 96 96 GLY HA3 H 4.201 0007 2 592 96 96 GLY C C 175.216 0010 1 593 96 96 GLY CA C 44.060 0070 1 594 96 96 GLY N N 111.364 0055 1 595 97 97 ARG H H 9.192 0012 1 596 97 97 ARG HA H 5.256 0009 1 597 97 97 ARG HB2 H 1.999 0015 2 598 97 97 ARG HB3 H 1.846 0007 2 599 97 97 ARG HD2 H 3.271 0001 2 600 97 97 ARG HD3 H 3.271 0001 2 601 97 97 ARG HG2 H 1.690 0016 2 602 97 97 ARG HG3 H 1.690 0016 2 603 97 97 ARG C C 172.992 0000 1 604 97 97 ARG CA C 55.502 0073 1 605 97 97 ARG CB C 34.879 0071 1 606 97 97 ARG CD C 43.319 0077 1 607 97 97 ARG CG C 27.047 0000 1 608 97 97 ARG N N 121.898 0045 1 609 98 98 PHE H H 8.007 0008 1 610 98 98 PHE HA H 5.247 0012 1 611 98 98 PHE HB2 H 3.015 0007 2 612 98 98 PHE HB3 H 2.305 0003 2 613 98 98 PHE HD1 H 6.582 0017 3 614 98 98 PHE HD2 H 6.582 0017 3 615 98 98 PHE HE1 H 6.614 0004 3 616 98 98 PHE HE2 H 6.614 0004 3 617 98 98 PHE C C 172.802 0044 1 618 98 98 PHE CA C 55.072 0085 1 619 98 98 PHE CB C 43.761 0033 1 620 98 98 PHE CD1 C 129.135 0006 1 621 98 98 PHE CD2 C 129.135 0006 1 622 98 98 PHE CE1 C 130.470 0027 1 623 98 98 PHE CE2 C 130.470 0027 1 624 98 98 PHE N N 122.010 0051 1 625 99 99 ALA H H 7.924 0006 1 626 99 99 ALA HA H 4.772 0002 1 627 99 99 ALA HB H 1.277 0008 2 628 99 99 ALA C C 175.322 0000 1 629 99 99 ALA CA C 51.333 0031 1 630 99 99 ALA CB C 22.741 0030 1 631 99 99 ALA N N 128.288 0037 1 632 100 100 ALA H H 8.614 0004 1 633 100 100 ALA HA H 4.793 0012 1 634 100 100 ALA HB H 0.896 0005 2 635 100 100 ALA C C 174.680 0004 1 636 100 100 ALA CA C 51.609 0044 1 637 100 100 ALA CB C 22.259 0059 1 638 100 100 ALA N N 118.833 0039 1 639 101 101 LYS H H 8.877 0006 1 640 101 101 LYS HA H 4.860 0008 1 641 101 101 LYS HB2 H 1.863 0006 2 642 101 101 LYS HB3 H 1.627 0000 2 643 101 101 LYS HD2 H 1.627 0001 2 644 101 101 LYS HD3 H 1.627 0001 2 645 101 101 LYS HG2 H 1.324 0016 2 646 101 101 LYS HG3 H 1.324 0016 2 647 101 101 LYS C C 175.096 0067 1 648 101 101 LYS CA C 55.884 0051 1 649 101 101 LYS CB C 33.600 0027 1 650 101 101 LYS CD C 29.236 0049 1 651 101 101 LYS CG C 25.131 0052 1 652 101 101 LYS N N 122.644 0030 1 653 102 102 VAL H H 9.288 0005 1 654 102 102 VAL HA H 4.346 0005 1 655 102 102 VAL HB H 1.689 0008 1 656 102 102 VAL HG1 H 0.736 0004 2 657 102 102 VAL HG2 H -0.152 0003 2 658 102 102 VAL C C 173.233 0010 1 659 102 102 VAL CA C 61.133 0058 1 660 102 102 VAL CB C 34.771 0062 1 661 102 102 VAL CG1 C 22.390 0032 2 662 102 102 VAL CG2 C 20.697 0032 2 663 102 102 VAL N N 127.834 0045 1 664 103 103 ASP H H 8.394 0005 1 665 103 103 ASP HA H 4.941 0006 1 666 103 103 ASP HB2 H 3.110 0007 2 667 103 103 ASP HB3 H 2.312 0006 2 668 103 103 ASP C C 176.601 0009 1 669 103 103 ASP CA C 52.228 0076 1 670 103 103 ASP CB C 41.885 0028 1 671 103 103 ASP N N 125.821 0029 1 672 104 104 PHE H H 8.921 0006 1 673 104 104 PHE HA H 4.111 0008 1 674 104 104 PHE HB2 H 2.978 0011 2 675 104 104 PHE HB3 H 2.815 0004 2 676 104 104 PHE HD1 H 6.890 0000 3 677 104 104 PHE HD2 H 6.890 0000 3 678 104 104 PHE HE1 H 6.952 0005 3 679 104 104 PHE HE2 H 6.952 0005 3 680 104 104 PHE C C 178.067 0008 1 681 104 104 PHE CA C 62.050 0059 1 682 104 104 PHE CB C 37.951 0080 1 683 104 104 PHE CE1 C 130.663 0000 1 684 104 104 PHE CE2 C 130.663 0000 1 685 104 104 PHE N N 123.086 0053 1 686 105 105 GLY H H 8.617 0004 1 687 105 105 GLY HA2 H 4.070 0007 2 688 105 105 GLY HA3 H 4.070 0007 2 689 105 105 GLY C C 175.334 0018 1 690 105 105 GLY CA C 47.234 0025 1 691 105 105 GLY N N 108.704 0039 1 692 106 106 SER H H 7.697 0006 1 693 106 106 SER HA H 4.518 0002 1 694 106 106 SER HB2 H 3.834 0004 2 695 106 106 SER HB3 H 3.834 0004 2 696 106 106 SER C C 173.478 0028 1 697 106 106 SER CA C 58.248 0039 1 698 106 106 SER CB C 63.583 0024 1 699 106 106 SER N N 115.570 0053 1 700 107 107 LYS H H 7.829 0004 1 701 107 107 LYS HA H 3.751 0008 1 702 107 107 LYS HB2 H 2.394 0005 2 703 107 107 LYS HB3 H 1.823 0000 2 704 107 107 LYS HD2 H 1.865 0009 2 705 107 107 LYS HD3 H 1.750 0002 2 706 107 107 LYS HE2 H 3.211 0000 2 707 107 107 LYS HE3 H 3.164 0000 2 708 107 107 LYS HG2 H 1.510 0012 2 709 107 107 LYS HG3 H 1.410 0010 2 710 107 107 LYS C C 175.902 0012 1 711 107 107 LYS CA C 57.351 0043 1 712 107 107 LYS CB C 28.613 0047 1 713 107 107 LYS CG C 24.834 0088 1 714 107 107 LYS N N 116.935 0042 1 715 108 108 SER H H 8.363 0008 1 716 108 108 SER HA H 5.239 0005 1 717 108 108 SER HB2 H 3.782 0002 2 718 108 108 SER HB3 H 3.659 0002 2 719 108 108 SER C C 172.234 0004 1 720 108 108 SER CA C 57.504 0023 1 721 108 108 SER CB C 66.891 0032 1 722 108 108 SER N N 114.388 0033 1 723 109 109 VAL H H 8.268 0005 1 724 109 109 VAL HA H 4.353 0005 1 725 109 109 VAL HB H 1.463 0008 1 726 109 109 VAL HG1 H 0.295 0006 2 727 109 109 VAL HG2 H 0.133 0005 2 728 109 109 VAL C C 173.844 0005 1 729 109 109 VAL CA C 61.201 0047 1 730 109 109 VAL CB C 34.867 0034 1 731 109 109 VAL CG1 C 20.285 0024 2 732 109 109 VAL CG2 C 20.923 0071 2 733 109 109 VAL N N 121.671 0034 1 734 110 110 ASP H H 8.444 0008 1 735 110 110 ASP HA H 4.947 0009 1 736 110 110 ASP HB2 H 2.582 0006 2 737 110 110 ASP HB3 H 2.429 0037 2 738 110 110 ASP C C 174.913 0015 1 739 110 110 ASP CA C 53.253 0039 1 740 110 110 ASP CB C 43.450 0043 1 741 110 110 ASP N N 127.616 0029 1 742 111 111 GLY H H 7.611 0005 1 743 111 111 GLY HA2 H 4.511 0005 2 744 111 111 GLY HA3 H 2.691 0009 2 745 111 111 GLY C C 171.673 0014 1 746 111 111 GLY CA C 44.856 0037 1 747 111 111 GLY N N 110.005 0038 1 748 112 112 ILE H H 8.760 0007 1 749 112 112 ILE HA H 4.810 0009 1 750 112 112 ILE HB H 1.490 0007 1 751 112 112 ILE HD1 H 0.697 0006 2 752 112 112 ILE HG12 H 1.322 0007 2 753 112 112 ILE HG13 H 0.800 0003 2 754 112 112 ILE HG2 H 0.730 0005 2 755 112 112 ILE C C 174.170 0000 1 756 112 112 ILE CA C 60.481 0043 1 757 112 112 ILE CB C 42.752 0064 1 758 112 112 ILE CD1 C 14.039 0056 1 759 112 112 ILE CG1 C 27.684 0063 1 760 112 112 ILE CG2 C 17.899 0037 1 761 112 112 ILE N N 118.543 0063 1 762 113 113 ILE H H 8.750 0011 1 763 113 113 ILE HA H 4.273 0008 1 764 113 113 ILE HB H 1.625 0005 1 765 113 113 ILE HD1 H 0.228 0008 2 766 113 113 ILE HG12 H 1.319 0008 2 767 113 113 ILE HG13 H 0.944 0019 2 768 113 113 ILE HG2 H 0.358 0007 2 769 113 113 ILE C C 173.730 0000 1 770 113 113 ILE CA C 60.501 0021 1 771 113 113 ILE CB C 40.282 0057 1 772 113 113 ILE CD1 C 12.570 0049 1 773 113 113 ILE CG1 C 28.263 0032 1 774 113 113 ILE CG2 C 16.653 0036 1 775 113 113 ILE N N 124.393 0066 1 776 114 114 ASP H H 8.788 0005 1 777 114 114 ASP HA H 4.853 0010 1 778 114 114 ASP HB2 H 2.929 0005 2 779 114 114 ASP HB3 H 2.433 0002 2 780 114 114 ASP C C 176.029 0011 1 781 114 114 ASP CA C 52.637 0022 1 782 114 114 ASP CB C 41.202 0062 1 783 114 114 ASP N N 126.961 0055 1 784 115 115 SER H H 7.570 0010 1 785 115 115 SER HA H 4.223 0000 1 786 115 115 SER HB2 H 3.399 0005 2 787 115 115 SER HB3 H 2.521 0009 2 788 115 115 SER CA C 60.411 0041 1 789 115 115 SER CB C 64.094 0000 1 790 115 115 SER N N 118.197 0076 1 791 116 116 GLY H H 8.378 0012 1 792 116 116 GLY HA2 H 4.191 0011 2 793 116 116 GLY HA3 H 3.705 0010 2 794 116 116 GLY C C 173.287 0000 1 795 116 116 GLY CA C 45.394 0043 1 796 116 116 GLY N N 107.871 0082 1 797 117 117 ASP H H 7.877 0010 1 798 117 117 ASP HA H 4.877 0004 1 799 117 117 ASP HB2 H 2.758 0005 2 800 117 117 ASP HB3 H 2.492 0000 2 801 117 117 ASP C C 176.918 0004 1 802 117 117 ASP CA C 51.465 0065 1 803 117 117 ASP CB C 40.578 0030 1 804 117 117 ASP N N 120.507 0036 1 805 118 118 ASP H H 8.322 0006 1 806 118 118 ASP HA H 3.973 0003 1 807 118 118 ASP HB2 H 2.555 0008 2 808 118 118 ASP HB3 H 2.524 0011 2 809 118 118 ASP C C 176.853 0002 1 810 118 118 ASP CA C 57.302 0044 1 811 118 118 ASP CB C 40.599 0054 1 812 118 118 ASP N N 123.221 0053 1 813 119 119 LEU H H 7.872 0007 1 814 119 119 LEU HA H 4.059 0003 1 815 119 119 LEU HB2 H 1.124 0005 2 816 119 119 LEU HB3 H 0.972 0003 2 817 119 119 LEU HD1 H 0.810 0008 2 818 119 119 LEU HD2 H 0.729 0002 2 819 119 119 LEU HG H 1.442 0003 1 820 119 119 LEU C C 176.978 0022 1 821 119 119 LEU CA C 55.377 0045 1 822 119 119 LEU CB C 41.691 0022 1 823 119 119 LEU CD1 C 24.657 0060 2 824 119 119 LEU CD2 C 22.818 0027 2 825 119 119 LEU CG C 27.026 0003 1 826 119 119 LEU N N 115.534 0050 1 827 120 120 HIS H H 6.978 0009 1 828 120 120 HIS HA H 4.855 0026 1 829 120 120 HIS HB2 H 3.397 0008 2 830 120 120 HIS HB3 H 3.234 0004 2 831 120 120 HIS HD2 H 7.327 0000 1 832 120 120 HIS HE1 H 7.388 0000 1 833 120 120 HIS C C 173.431 0000 1 834 120 120 HIS CA C 55.532 0017 1 835 120 120 HIS CB C 28.216 0083 1 836 120 120 HIS N N 116.581 0058 1 837 121 121 MET HA H 3.890 0009 1 838 121 121 MET HB2 H 1.683 0006 2 839 121 121 MET HB3 H 1.683 0006 2 840 121 121 MET C C 175.617 0000 1 841 121 121 MET CA C 59.952 0084 1 842 121 121 MET CB C 32.144 0000 1 843 122 122 GLY H H 7.674 0006 1 844 122 122 GLY HA2 H 3.780 0001 2 845 122 122 GLY HA3 H 3.636 0003 2 846 122 122 GLY C C 175.527 0015 1 847 122 122 GLY CA C 46.470 0045 1 848 122 122 GLY N N 103.468 0050 1 849 123 123 THR H H 8.370 0009 1 850 123 123 THR HA H 5.308 0006 1 851 123 123 THR HB H 3.805 0004 1 852 123 123 THR HG2 H 0.951 0007 2 853 123 123 THR C C 173.980 0002 1 854 123 123 THR CA C 61.374 0050 1 855 123 123 THR CB C 69.623 0031 1 856 123 123 THR CG2 C 21.350 0085 1 857 123 123 THR N N 124.166 0038 1 858 124 124 GLN H H 8.631 0008 1 859 124 124 GLN HA H 4.773 0002 1 860 124 124 GLN HB2 H 2.041 0026 2 861 124 124 GLN HB3 H 1.964 0001 2 862 124 124 GLN HG2 H 2.634 0000 2 863 124 124 GLN HG3 H 2.586 0014 2 864 124 124 GLN C C 174.738 0000 1 865 124 124 GLN CA C 52.955 0004 1 866 124 124 GLN CB C 32.780 0029 1 867 124 124 GLN CG C 32.103 0008 1 868 124 124 GLN N N 122.562 0070 1 869 126 126 PHE HA H 5.473 0007 1 870 126 126 PHE HB2 H 2.496 0008 2 871 126 126 PHE HB3 H 2.496 0008 2 872 126 126 PHE HD1 H 6.571 0016 3 873 126 126 PHE HD2 H 6.571 0016 3 874 126 126 PHE HE1 H 6.756 0014 3 875 126 126 PHE HE2 H 6.756 0014 3 876 126 126 PHE CA C 56.173 0016 1 877 126 126 PHE CB C 42.839 0024 1 878 126 126 PHE CD1 C 128.204 0012 1 879 126 126 PHE CD2 C 128.204 0012 1 880 126 126 PHE CE1 C 129.374 0000 1 881 126 126 PHE CE2 C 129.374 0000 1 882 127 127 LYS H H 8.356 0005 1 883 127 127 LYS HA H 5.136 0007 1 884 127 127 LYS HB2 H 1.786 0020 2 885 127 127 LYS HB3 H 1.786 0020 2 886 127 127 LYS HD2 H 1.723 0027 2 887 127 127 LYS HD3 H 1.723 0027 2 888 127 127 LYS HE2 H 2.993 0000 2 889 127 127 LYS HE3 H 2.993 0000 2 890 127 127 LYS HG2 H 1.477 0005 2 891 127 127 LYS HG3 H 1.477 0005 2 892 127 127 LYS CA C 54.728 0089 1 893 127 127 LYS CB C 36.237 0032 1 894 127 127 LYS CD C 28.965 0067 1 895 127 127 LYS CE C 41.971 0000 1 896 127 127 LYS CG C 24.574 0000 1 897 127 127 LYS N N 121.482 0040 1 898 128 128 ALA H H 9.117 0008 1 899 128 128 ALA HA H 5.157 0005 1 900 128 128 ALA HB H 1.230 0004 2 901 128 128 ALA C C 174.136 0057 1 902 128 128 ALA CA C 50.793 0095 1 903 128 128 ALA CB C 23.970 0077 1 904 128 128 ALA N N 123.792 0051 1 905 129 129 ALA H H 8.069 0006 1 906 129 129 ALA HA H 5.368 0006 1 907 129 129 ALA HB H 1.602 0004 2 908 129 129 ALA C C 177.736 0010 1 909 129 129 ALA CA C 50.385 0085 1 910 129 129 ALA CB C 21.540 0051 1 911 129 129 ALA N N 123.347 0039 1 912 130 130 ILE H H 7.951 0008 1 913 130 130 ILE HA H 4.733 0011 1 914 130 130 ILE HB H 1.377 0012 1 915 130 130 ILE HD1 H 0.643 0004 2 916 130 130 ILE HG2 H 1.160 0005 2 917 130 130 ILE C C 174.989 0000 1 918 130 130 ILE CA C 60.861 0068 1 919 130 130 ILE CB C 40.028 0053 1 920 130 130 ILE CD1 C 14.818 0047 1 921 130 130 ILE CG2 C 17.059 0029 1 922 130 130 ILE N N 123.126 0035 1 923 131 131 ASP H H 8.776 0007 1 924 131 131 ASP HA H 4.896 0005 1 925 131 131 ASP HB2 H 2.744 0000 2 926 131 131 ASP HB3 H 2.617 0000 2 927 131 131 ASP C C 176.291 0007 1 928 131 131 ASP CA C 53.806 0075 1 929 131 131 ASP CB C 43.090 0012 1 930 131 131 ASP N N 128.004 0051 1 931 132 132 GLY H H 9.012 0009 1 932 132 132 GLY HA2 H 4.152 0005 2 933 132 132 GLY HA3 H 3.666 0006 2 934 132 132 GLY C C 173.406 0013 1 935 132 132 GLY CA C 47.213 0063 1 936 132 132 GLY N N 116.402 0044 1 937 133 133 ASN H H 8.274 0009 1 938 133 133 ASN HA H 4.831 0008 1 939 133 133 ASN HB2 H 3.355 0012 2 940 133 133 ASN HB3 H 2.499 0003 2 941 133 133 ASN HD21 H 8.074 0005 2 942 133 133 ASN HD22 H 7.118 0007 2 943 133 133 ASN C C 173.969 0031 1 944 133 133 ASN CA C 51.380 0059 1 945 133 133 ASN CB C 38.222 0051 1 946 133 133 ASN N N 122.568 0040 1 947 133 133 ASN ND2 N 111.027 0051 1 948 134 134 GLY H H 7.902 0000 1 949 134 134 GLY HA2 H 4.940 0011 2 950 134 134 GLY HA3 H 4.008 0027 2 951 134 134 GLY C C 171.590 0000 1 952 134 134 GLY CA C 44.987 0077 1 953 134 134 GLY N N 105.523 0048 1 954 135 135 PHE H H 8.237 0005 1 955 135 135 PHE HA H 5.766 0008 1 956 135 135 PHE HB2 H 2.738 0006 2 957 135 135 PHE HB3 H 2.607 0006 2 958 135 135 PHE HD1 H 6.489 0018 3 959 135 135 PHE HD2 H 6.489 0018 3 960 135 135 PHE HE1 H 6.729 0006 3 961 135 135 PHE HE2 H 6.729 0006 3 962 135 135 PHE HZ H 6.469 0003 1 963 135 135 PHE C C 173.525 0000 1 964 135 135 PHE CA C 55.394 0049 1 965 135 135 PHE CB C 42.636 0062 1 966 135 135 PHE CD1 C 131.707 0027 1 967 135 135 PHE CD2 C 131.707 0027 1 968 135 135 PHE CZ C 126.688 0008 1 969 135 135 PHE N N 112.644 0032 1 970 136 136 LYS H H 8.139 0007 1 971 136 136 LYS HA H 5.277 0012 1 972 136 136 LYS HB2 H 1.922 0011 2 973 136 136 LYS HB3 H 1.922 0011 2 974 136 136 LYS HD2 H 1.745 0007 2 975 136 136 LYS HD3 H 1.745 0007 2 976 136 136 LYS HE2 H 3.007 0000 2 977 136 136 LYS HE3 H 3.007 0000 2 978 136 136 LYS HG2 H 1.537 0003 2 979 136 136 LYS HG3 H 1.537 0003 2 980 136 136 LYS C C 176.423 0000 1 981 136 136 LYS CA C 55.738 0034 1 982 136 136 LYS CB C 35.893 0069 1 983 136 136 LYS CD C 29.509 0000 1 984 136 136 LYS CG C 24.804 0000 1 985 136 136 LYS N N 118.932 0047 1 986 137 137 GLY H H 9.410 0008 1 987 137 137 GLY HA2 H 4.748 0008 2 988 137 137 GLY HA3 H 4.748 0008 2 989 137 137 GLY C C 172.385 0014 1 990 137 137 GLY CA C 45.857 0068 1 991 137 137 GLY N N 114.895 0056 1 992 138 138 THR H H 8.263 0010 1 993 138 138 THR HA H 4.280 0003 1 994 138 138 THR HB H 4.498 0008 1 995 138 138 THR HG2 H 1.336 0004 2 996 138 138 THR C C 171.990 0000 1 997 138 138 THR CA C 60.270 0071 1 998 138 138 THR CB C 69.662 0000 1 999 138 138 THR N N 112.666 0095 1 1000 139 139 TRP H H 7.599 0014 1 1001 139 139 TRP HA H 5.252 0009 1 1002 139 139 TRP HB2 H 4.178 0008 2 1003 139 139 TRP HB3 H 3.184 0012 2 1004 139 139 TRP HE1 H 10.587 0003 1 1005 139 139 TRP HE3 H 6.566 0006 1 1006 139 139 TRP HH2 H 6.347 0003 1 1007 139 139 TRP HZ2 H 7.419 0003 1 1008 139 139 TRP HZ3 H 7.861 0004 1 1009 139 139 TRP C C 177.849 0000 1 1010 139 139 TRP CA C 55.782 0035 1 1011 139 139 TRP CB C 30.065 0045 1 1012 139 139 TRP CE3 C 119.944 0000 1 1013 139 139 TRP CH2 C 123.536 0050 1 1014 139 139 TRP CZ2 C 113.137 0048 1 1015 139 139 TRP CZ3 C 121.417 0049 1 1016 139 139 TRP N N 123.880 0094 1 1017 139 139 TRP NE1 N 128.060 0028 1 1018 140 140 THR H H 8.646 0005 1 1019 140 140 THR HA H 4.490 0000 1 1020 140 140 THR HB H 4.291 0004 1 1021 140 140 THR HG2 H 1.234 0005 2 1022 140 140 THR CA C 63.385 0014 1 1023 140 140 THR CB C 64.879 0011 1 1024 140 140 THR N N 115.632 0057 1 1025 144 144 GLY C C 173.978 0000 1 1026 144 144 GLY CA C 44.858 0069 1 1027 145 145 GLY H H 8.385 0010 1 1028 145 145 GLY HA2 H 5.199 0012 2 1029 145 145 GLY HA3 H 3.825 0002 2 1030 145 145 GLY C C 173.278 0008 1 1031 145 145 GLY CA C 44.270 0047 1 1032 145 145 GLY N N 107.989 0091 1 1033 146 146 ASP H H 8.421 0007 1 1034 146 146 ASP HA H 5.015 0007 1 1035 146 146 ASP HB2 H 2.828 0000 2 1036 146 146 ASP HB3 H 2.796 0003 2 1037 146 146 ASP C C 173.399 0019 1 1038 146 146 ASP CA C 53.711 0077 1 1039 146 146 ASP CB C 44.470 0014 1 1040 146 146 ASP N N 118.435 0079 1 1041 147 147 VAL H H 7.592 0008 1 1042 147 147 VAL HA H 4.454 0006 1 1043 147 147 VAL HB H 0.819 0003 1 1044 147 147 VAL HG1 H -0.233 0007 2 1045 147 147 VAL HG2 H -0.444 0005 2 1046 147 147 VAL C C 174.371 0020 1 1047 147 147 VAL CA C 61.365 0053 1 1048 147 147 VAL CB C 34.537 0066 1 1049 147 147 VAL CG1 C 19.707 0038 2 1050 147 147 VAL CG2 C 19.518 0027 2 1051 147 147 VAL N N 118.089 0077 1 1052 148 148 SER H H 8.887 0006 1 1053 148 148 SER HA H 5.001 0008 1 1054 148 148 SER HB2 H 3.829 0006 2 1055 148 148 SER HB3 H 3.752 0015 2 1056 148 148 SER C C 171.919 0009 1 1057 148 148 SER CA C 57.087 0072 1 1058 148 148 SER CB C 66.188 0056 1 1059 148 148 SER N N 120.356 0034 1 1060 149 149 GLY H H 7.249 0004 1 1061 149 149 GLY HA2 H 4.171 0006 2 1062 149 149 GLY HA3 H 2.788 0008 2 1063 149 149 GLY C C 170.665 0009 1 1064 149 149 GLY CA C 46.063 0070 1 1065 149 149 GLY N N 105.988 0048 1 1066 150 150 ARG H H 8.509 0005 1 1067 150 150 ARG HA H 4.775 0011 1 1068 150 150 ARG HB2 H 1.488 0007 2 1069 150 150 ARG HB3 H 1.488 0007 2 1070 150 150 ARG HD2 H 2.956 0000 2 1071 150 150 ARG HD3 H 2.822 0000 2 1072 150 150 ARG HG2 H 1.414 0000 2 1073 150 150 ARG HG3 H 1.269 0006 2 1074 150 150 ARG C C 172.522 0003 1 1075 150 150 ARG CA C 54.615 0067 1 1076 150 150 ARG CB C 34.246 0049 1 1077 150 150 ARG CD C 42.939 0000 1 1078 150 150 ARG CG C 26.817 0028 1 1079 150 150 ARG N N 118.922 0045 1 1080 151 151 PHE H H 8.248 0006 1 1081 151 151 PHE HA H 5.205 0006 1 1082 151 151 PHE HB2 H 3.068 0006 2 1083 151 151 PHE HB3 H 2.675 0005 2 1084 151 151 PHE HD1 H 6.766 0000 3 1085 151 151 PHE HD2 H 6.766 0000 3 1086 151 151 PHE HE1 H 7.234 0007 3 1087 151 151 PHE HE2 H 7.234 0007 3 1088 151 151 PHE C C 174.770 0006 1 1089 151 151 PHE CA C 57.944 0053 1 1090 151 151 PHE CB C 41.492 0067 1 1091 151 151 PHE CE1 C 131.461 0023 1 1092 151 151 PHE CE2 C 131.461 0023 1 1093 151 151 PHE N N 119.478 0058 1 1094 152 152 TYR H H 9.467 0006 1 1095 152 152 TYR HA H 4.907 0007 1 1096 152 152 TYR HB2 H 3.072 0013 2 1097 152 152 TYR HB3 H 2.473 0004 2 1098 152 152 TYR HD1 H 6.758 0016 3 1099 152 152 TYR HD2 H 6.758 0016 3 1100 152 152 TYR HE1 H 6.439 0008 3 1101 152 152 TYR HE2 H 6.439 0008 3 1102 152 152 TYR C C 175.767 0004 1 1103 152 152 TYR CA C 58.517 0045 1 1104 152 152 TYR CB C 43.155 0041 1 1105 152 152 TYR CD1 C 132.394 0031 1 1106 152 152 TYR CD2 C 132.394 0031 1 1107 152 152 TYR CE1 C 116.632 0035 1 1108 152 152 TYR CE2 C 116.632 0035 1 1109 152 152 TYR N N 120.988 0030 1 1110 153 153 GLY H H 8.014 0007 1 1111 153 153 GLY HA2 H 4.882 0000 2 1112 153 153 GLY HA3 H 4.882 0000 2 1113 153 153 GLY C C 172.667 0000 1 1114 153 153 GLY CA C 43.697 0051 1 1115 153 153 GLY N N 107.655 0031 1 1116 154 154 PRO HA H 4.237 0009 1 1117 154 154 PRO HB2 H 2.255 0008 2 1118 154 154 PRO HB3 H 1.989 0004 2 1119 154 154 PRO CA C 65.279 0036 1 1120 154 154 PRO CB C 31.682 0044 1 1121 155 155 ALA H H 9.726 0009 1 1122 155 155 ALA HA H 4.483 0008 1 1123 155 155 ALA HB H 1.256 0005 2 1124 155 155 ALA C C 178.001 0026 1 1125 155 155 ALA CA C 49.701 0061 1 1126 155 155 ALA CB C 18.826 0018 1 1127 155 155 ALA N N 120.664 0051 1 1128 156 156 GLY H H 7.855 0003 1 1129 156 156 GLY HA2 H 3.853 0005 2 1130 156 156 GLY HA3 H 3.511 0004 2 1131 156 156 GLY C C 174.311 0000 1 1132 156 156 GLY CA C 48.264 0043 1 1133 156 156 GLY N N 107.907 0027 1 1134 157 157 GLU H H 10.154 0043 1 1135 157 157 GLU HA H 3.937 0007 1 1136 157 157 GLU HB2 H 2.434 0019 2 1137 157 157 GLU HB3 H 2.381 0001 2 1138 157 157 GLU HG2 H 2.962 0005 2 1139 157 157 GLU HG3 H 2.462 0006 2 1140 157 157 GLU C C 177.053 0000 1 1141 157 157 GLU CA C 62.707 0085 1 1142 157 157 GLU CB C 30.753 0054 1 1143 157 157 GLU CG C 39.271 0013 1 1144 157 157 GLU N N 121.965 0040 1 1145 158 158 GLU H H 9.207 0006 1 1146 158 158 GLU HA H 5.794 0003 1 1147 158 158 GLU HB2 H 2.496 0006 2 1148 158 158 GLU HB3 H 2.155 0007 2 1149 158 158 GLU HG2 H 2.982 0010 2 1150 158 158 GLU HG3 H 2.666 0006 2 1151 158 158 GLU C C 174.162 0004 1 1152 158 158 GLU CA C 54.618 0085 1 1153 158 158 GLU CB C 35.103 0055 1 1154 158 158 GLU CG C 38.215 0057 1 1155 158 158 GLU N N 117.704 0058 1 1156 159 159 VAL H H 8.805 0005 1 1157 159 159 VAL HA H 5.504 0005 1 1158 159 159 VAL HB H 1.820 0008 1 1159 159 159 VAL HG1 H 0.689 0010 2 1160 159 159 VAL HG2 H 0.463 0007 2 1161 159 159 VAL C C 171.205 0005 1 1162 159 159 VAL CA C 58.611 0038 1 1163 159 159 VAL CB C 35.274 0055 1 1164 159 159 VAL CG1 C 21.302 0072 2 1165 159 159 VAL CG2 C 22.492 0067 2 1166 159 159 VAL N N 119.358 0059 1 1167 160 160 ALA H H 8.351 0007 1 1168 160 160 ALA HA H 4.869 0007 1 1169 160 160 ALA HB H 1.314 0005 2 1170 160 160 ALA C C 175.594 0014 1 1171 160 160 ALA CA C 51.514 0043 1 1172 160 160 ALA CB C 23.224 0028 1 1173 160 160 ALA N N 124.730 0059 1 1174 161 161 GLY H H 7.545 0004 1 1175 161 161 GLY HA2 H 3.700 0006 2 1176 161 161 GLY HA3 H 3.700 0006 2 1177 161 161 GLY C C 170.221 0007 1 1178 161 161 GLY CA C 46.713 0029 1 1179 161 161 GLY N N 107.426 0046 1 1180 162 162 LYS H H 8.607 0007 1 1181 162 162 LYS HA H 5.477 0011 1 1182 162 162 LYS HB2 H 1.939 0008 2 1183 162 162 LYS HB3 H 1.640 0009 2 1184 162 162 LYS HD2 H 1.535 0011 2 1185 162 162 LYS HD3 H 1.535 0011 2 1186 162 162 LYS HE2 H 2.842 0004 2 1187 162 162 LYS HE3 H 2.842 0004 2 1188 162 162 LYS HG2 H 1.284 0018 2 1189 162 162 LYS HG3 H 1.284 0018 2 1190 162 162 LYS C C 173.754 0000 1 1191 162 162 LYS CA C 53.792 0050 1 1192 162 162 LYS CB C 36.796 0059 1 1193 162 162 LYS CD C 29.954 0079 1 1194 162 162 LYS CG C 23.110 0017 1 1195 162 162 LYS N N 114.513 0060 1 1196 163 163 TYR H H 8.582 0008 1 1197 163 163 TYR HA H 5.769 0014 1 1198 163 163 TYR HB2 H 3.540 0004 2 1199 163 163 TYR HB3 H 2.980 0006 2 1200 163 163 TYR HD1 H 6.598 0001 3 1201 163 163 TYR HD2 H 6.598 0001 3 1202 163 163 TYR HE1 H 6.789 0019 3 1203 163 163 TYR HE2 H 6.789 0019 3 1204 163 163 TYR CA C 56.868 0069 1 1205 163 163 TYR CB C 42.933 0073 1 1206 163 163 TYR CD1 C 131.132 0007 1 1207 163 163 TYR CD2 C 131.132 0007 1 1208 163 163 TYR CE1 C 117.070 0000 1 1209 163 163 TYR CE2 C 117.070 0000 1 1210 163 163 TYR N N 115.145 0063 1 1211 164 164 SER H H 9.218 0010 1 1212 164 164 SER HA H 5.181 0005 1 1213 164 164 SER HB2 H 4.089 0005 2 1214 164 164 SER HB3 H 4.064 0011 2 1215 164 164 SER CA C 57.582 0067 1 1216 164 164 SER CB C 66.094 0013 1 1217 164 164 SER N N 113.345 0059 1 1218 165 165 TYR H H 9.594 0008 1 1219 165 165 TYR HA H 5.158 0000 1 1220 165 165 TYR HB2 H 4.062 0002 2 1221 165 165 TYR HB3 H 4.062 0002 2 1222 165 165 TYR CA C 57.697 0000 1 1223 165 165 TYR N N 127.656 0080 1 1224 172 172 LYS HA H 4.426 0004 1 1225 172 172 LYS HB2 H 3.118 0003 2 1226 172 172 LYS HB3 H 2.855 0005 2 1227 172 172 LYS C C 175.525 0011 1 1228 172 172 LYS CA C 54.382 0034 1 1229 172 172 LYS CB C 37.899 0050 1 1230 173 173 GLY H H 8.499 0006 1 1231 173 173 GLY HA2 H 4.688 0006 2 1232 173 173 GLY HA3 H 4.688 0006 2 1233 173 173 GLY C C 173.588 0000 1 1234 173 173 GLY CA C 45.667 0049 1 1235 173 173 GLY N N 102.624 0028 1 1236 174 174 GLY H H 9.226 0005 1 1237 174 174 GLY HA2 H 4.530 0012 2 1238 174 174 GLY HA3 H 4.530 0012 2 1239 174 174 GLY C C 171.158 0000 1 1240 174 174 GLY CA C 46.591 0056 1 1241 174 174 GLY N N 106.817 0071 1 1242 175 175 PHE H H 8.283 0006 1 1243 175 175 PHE HA H 5.161 0008 1 1244 175 175 PHE HB2 H 3.339 0016 2 1245 175 175 PHE HB3 H 3.280 0007 2 1246 175 175 PHE HD1 H 6.951 0000 3 1247 175 175 PHE HD2 H 6.896 0000 3 1248 175 175 PHE HE1 H 7.033 0006 3 1249 175 175 PHE HE2 H 7.102 0000 3 1250 175 175 PHE C C 171.380 0000 1 1251 175 175 PHE CA C 56.003 0059 1 1252 175 175 PHE CB C 40.850 0069 1 1253 175 175 PHE CE1 C 131.623 0004 1 1254 175 175 PHE CE2 C 131.623 0004 1 1255 175 175 PHE N N 118.097 0038 1 1256 176 176 GLY H H 7.475 0005 1 1257 176 176 GLY HA2 H 4.696 0004 2 1258 176 176 GLY HA3 H 4.293 0005 2 1259 176 176 GLY C C 171.795 0028 1 1260 176 176 GLY CA C 47.034 0075 1 1261 176 176 GLY N N 105.271 0028 1 1262 177 177 VAL H H 8.733 0008 1 1263 177 177 VAL HA H 5.328 0009 1 1264 177 177 VAL HB H 2.250 0007 1 1265 177 177 VAL HG1 H 0.927 0008 2 1266 177 177 VAL HG2 H 0.855 0010 2 1267 177 177 VAL C C 173.850 0003 1 1268 177 177 VAL CA C 58.519 0048 1 1269 177 177 VAL CB C 36.236 0054 1 1270 177 177 VAL CG1 C 22.978 0017 2 1271 177 177 VAL CG2 C 19.420 0020 2 1272 177 177 VAL N N 109.078 0045 1 1273 178 178 PHE H H 8.006 0005 1 1274 178 178 PHE HA H 5.693 0009 1 1275 178 178 PHE HB2 H 2.746 0014 2 1276 178 178 PHE HB3 H 2.801 0009 2 1277 178 178 PHE HD1 H 6.116 0003 3 1278 178 178 PHE HD2 H 6.116 0003 3 1279 178 178 PHE HE1 H 6.554 0007 3 1280 178 178 PHE HE2 H 6.554 0007 3 1281 178 178 PHE HZ H 6.617 0003 1 1282 178 178 PHE C C 172.531 0025 1 1283 178 178 PHE CA C 55.197 0044 1 1284 178 178 PHE CB C 43.654 0032 1 1285 178 178 PHE CD1 C 130.722 0016 1 1286 178 178 PHE CD2 C 130.722 0016 1 1287 178 178 PHE CE1 C 128.506 0022 1 1288 178 178 PHE CE2 C 128.506 0022 1 1289 178 178 PHE CZ C 126.877 0018 1 1290 178 178 PHE N N 115.493 0040 1 1291 179 179 ALA H H 8.548 0007 1 1292 179 179 ALA HA H 5.234 0009 1 1293 179 179 ALA HB H 1.163 0009 2 1294 179 179 ALA C C 175.961 0006 1 1295 179 179 ALA CA C 51.433 0054 1 1296 179 179 ALA CB C 22.019 0012 1 1297 179 179 ALA N N 119.683 0030 1 1298 180 180 GLY H H 9.241 0005 1 1299 180 180 GLY HA2 H 5.312 0007 2 1300 180 180 GLY HA3 H 4.168 0007 2 1301 180 180 GLY C C 171.809 0021 1 1302 180 180 GLY CA C 47.175 0057 1 1303 180 180 GLY N N 104.964 0079 1 1304 181 181 LYS H H 8.671 0008 1 1305 181 181 LYS HA H 5.784 0007 1 1306 181 181 LYS HB2 H 2.283 0009 2 1307 181 181 LYS HB3 H 2.088 0009 2 1308 181 181 LYS HE2 H 3.043 0002 2 1309 181 181 LYS HE3 H 2.899 0000 2 1310 181 181 LYS HG2 H 1.871 0000 2 1311 181 181 LYS HG3 H 1.831 0004 2 1312 181 181 LYS C C 175.850 0010 1 1313 181 181 LYS CA C 55.325 0085 1 1314 181 181 LYS CB C 37.500 0067 1 1315 181 181 LYS CD C 30.142 0000 1 1316 181 181 LYS CE C 42.683 0000 1 1317 181 181 LYS CG C 25.676 0000 1 1318 181 181 LYS N N 116.149 0043 1 1319 182 182 LYS H H 8.720 0009 1 1320 182 182 LYS HA H 3.700 0003 1 1321 182 182 LYS HB2 H 1.685 0008 2 1322 182 182 LYS HB3 H 1.685 0008 2 1323 182 182 LYS HD2 H 1.692 0005 2 1324 182 182 LYS HD3 H 1.692 0005 2 1325 182 182 LYS HE2 H 2.962 0007 2 1326 182 182 LYS HE3 H 2.962 0007 2 1327 182 182 LYS HG2 H 1.293 0012 2 1328 182 182 LYS HG3 H 1.293 0012 2 1329 182 182 LYS C C 176.768 0000 1 1330 182 182 LYS CA C 56.606 0086 1 1331 182 182 LYS CB C 33.923 0028 1 1332 182 182 LYS CD C 29.981 0047 1 1333 182 182 LYS CE C 42.475 0039 1 1334 182 182 LYS CG C 25.004 0010 1 1335 182 182 LYS N N 125.656 0057 1 1336 183 183 GLU H H 8.997 0007 1 1337 183 183 GLU HA H 4.394 0003 1 1338 183 183 GLU HB2 H 2.016 0000 2 1339 183 183 GLU HB3 H 1.896 0013 2 1340 183 183 GLU HG2 H 2.255 0001 2 1341 183 183 GLU HG3 H 2.255 0001 2 1342 183 183 GLU C C 176.522 0039 1 1343 183 183 GLU CA C 56.623 0095 1 1344 183 183 GLU CB C 30.739 0068 1 1345 183 183 GLU CG C 36.527 0000 1 1346 183 183 GLU N N 128.020 0033 1 1347 184 184 GLN H H 8.533 0008 1 1348 184 184 GLN HA H 4.338 0000 1 1349 184 184 GLN HE21 H 7.605 0000 2 1350 184 184 GLN HE22 H 6.904 0000 2 1351 184 184 GLN C C 175.232 0000 1 1352 184 184 GLN CA C 55.989 0042 1 1353 184 184 GLN CB C 30.593 0000 1 1354 184 184 GLN N N 122.798 0053 1 1355 184 184 GLN NE2 N 111.719 0000 1 1356 185 185 ASP HA H 4.306 0000 1 1357 185 185 ASP HB2 H 1.590 0000 2 1358 185 185 ASP HB3 H 0.890 0000 2 1359 185 185 ASP C C 175.623 0023 1 1360 185 185 ASP CA C 55.238 0023 1 1361 185 185 ASP CB C 42.439 0000 1 1362 186 186 LEU H H 7.506 0006 1 1363 186 186 LEU HA H 4.310 0002 1 1364 186 186 LEU HB2 H 1.768 0001 2 1365 186 186 LEU HB3 H 1.768 0001 2 1366 186 186 LEU C C 174.645 0000 1 1367 186 186 LEU CA C 57.817 0002 1 1368 186 186 LEU CB C 40.630 0000 1 1369 186 186 LEU N N 118.909 0083 1 stop_ save_