data_6744 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of the C-terminal domain of RP2 ; _BMRB_accession_number 6744 _BMRB_flat_file_name bmr6744.str _Entry_type original _Submission_date 2005-07-25 _Accession_date 2005-07-25 _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 Cai Sheng . . 2 Lee Brian . . 3 Cheng Cindy . . 4 Hu Weidong . . 5 Yoon Jung-Hoon . . 6 Pfeifer Gerd . . 7 Chen Yuan . . 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" 494 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-07 update BMRB 'complete entry citation' 2006-03-10 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 Resonance Assignments of the C-terminal Domain of RP2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16456705 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cai Sheng . . 2 Lee Brian H. . 3 Cheng Cindy . . 4 Hu Weidong . . 5 Yoon Jung-Hoon . . 6 Pfeifer Gerd P. . 7 Chen Yuan . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9 _Page_last 9 _Year 2006 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title ; Functional overlap between retinitis pigmentosa 2 protein and the tubulin-specific chaperone cofactor C ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 11847227 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bartolini F. . . 2 Bhamidipati A. . . 3 Thomas S. . . 4 Schwahn U. . . 5 Lewis S. A. . 6 Cowan N. J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full . _Journal_volume 277 _Journal_issue 17 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 14629 _Page_last 14634 _Year 2002 _Details . save_ save_Citation_2 _Saveframe_category citation _Citation_full . _Citation_title 'Positional cloning of the gene for X-linked retinitis pigmentosa 2' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9697692 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schwahn U. . . 2 Lenzner S. . . 3 Dong J. . . 4 Feil S. . . 5 Hinzmann B. . . 6 'van Duijnhoven' G. . . 7 Kirschner R. . . 8 Hemberger M. . . 9 Bergen A. A. . 10 Rosenberg T. . . 11 Pinckers A. J. . 12 Fundele R. . . 13 Rosenthal A. . . 14 Cremers F. P. . 15 Ropers H. H. . 16 Berger W. . . stop_ _Journal_abbreviation 'Nat. Genet.' _Journal_name_full . _Journal_volume 19 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 327 _Page_last 332 _Year 1998 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal domain of RP2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C-terminal domain of RP2' $RP2_C-terminal_domain_peptide stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RP2_C-terminal_domain_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RP2 C-terminal domain peptide' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; MKSSDESCLVVLFAGDYTIA NARKLIDEMVGKGFFLVQTK EVSMKAEDAQRVFREKAPDF LPLLNKGPVIALEFNGDGAV EVCQLIVNEIFNGTKMFVSE SKETASGDVDSFYNFADIQM GIHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 SER 4 SER 5 ASP 6 GLU 7 SER 8 CYS 9 LEU 10 VAL 11 VAL 12 LEU 13 PHE 14 ALA 15 GLY 16 ASP 17 TYR 18 THR 19 ILE 20 ALA 21 ASN 22 ALA 23 ARG 24 LYS 25 LEU 26 ILE 27 ASP 28 GLU 29 MET 30 VAL 31 GLY 32 LYS 33 GLY 34 PHE 35 PHE 36 LEU 37 VAL 38 GLN 39 THR 40 LYS 41 GLU 42 VAL 43 SER 44 MET 45 LYS 46 ALA 47 GLU 48 ASP 49 ALA 50 GLN 51 ARG 52 VAL 53 PHE 54 ARG 55 GLU 56 LYS 57 ALA 58 PRO 59 ASP 60 PHE 61 LEU 62 PRO 63 LEU 64 LEU 65 ASN 66 LYS 67 GLY 68 PRO 69 VAL 70 ILE 71 ALA 72 LEU 73 GLU 74 PHE 75 ASN 76 GLY 77 ASP 78 GLY 79 ALA 80 VAL 81 GLU 82 VAL 83 CYS 84 GLN 85 LEU 86 ILE 87 VAL 88 ASN 89 GLU 90 ILE 91 PHE 92 ASN 93 GLY 94 THR 95 LYS 96 MET 97 PHE 98 VAL 99 SER 100 GLU 101 SER 102 LYS 103 GLU 104 THR 105 ALA 106 SER 107 GLY 108 ASP 109 VAL 110 ASP 111 SER 112 PHE 113 TYR 114 ASN 115 PHE 116 ALA 117 ASP 118 ILE 119 GLN 120 MET 121 GLY 122 ILE 123 HIS 124 HIS 125 HIS 126 HIS 127 HIS 128 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2BX6 "Crystal Structure Of The Human Retinitis Pigmentosa Protein 2 (Rp2)" 94.53 350 100.00 100.00 1.88e-78 PDB 3BH6 "Crystal Structure Of The Rp2-arl3 Complex Bound To Gppnhp" 94.53 352 100.00 100.00 2.35e-78 PDB 3BH7 "Crystal Structure Of The Rp2-arl3 Complex Bound To Gdp-alf4" 94.53 352 100.00 100.00 2.35e-78 DBJ BAG35452 "unnamed protein product [Homo sapiens]" 94.53 350 100.00 100.00 1.88e-78 EMBL CAA07577 "XRP2 protein [Homo sapiens]" 94.53 350 100.00 100.00 1.95e-78 GB AAH43348 "Retinitis pigmentosa 2 (X-linked recessive) [Homo sapiens]" 94.53 350 100.00 100.00 1.88e-78 GB AAH53530 "Retinitis pigmentosa 2 (X-linked recessive) [Homo sapiens]" 94.53 350 100.00 100.00 1.88e-78 GB ADQ33082 "retinitis pigmentosa 2 (X-linked recessive) [synthetic construct]" 94.53 350 100.00 100.00 1.88e-78 GB AIC49604 "RP2, partial [synthetic construct]" 94.53 350 100.00 100.00 1.88e-78 GB AIC62596 "RP2, partial [synthetic construct]" 94.53 350 100.00 100.00 1.88e-78 REF NP_001254717 "protein XRP2 [Macaca mulatta]" 94.53 350 98.35 99.17 1.02e-76 REF NP_008846 "protein XRP2 [Homo sapiens]" 94.53 350 100.00 100.00 1.88e-78 REF XP_002927509 "PREDICTED: protein XRP2-like [Ailuropoda melanoleuca]" 94.53 350 98.35 98.35 8.21e-76 REF XP_003360330 "PREDICTED: protein XRP2 isoform X1 [Sus scrofa]" 94.53 350 97.52 98.35 7.61e-76 REF XP_003809725 "PREDICTED: protein XRP2 [Pan paniscus]" 94.53 350 98.35 98.35 1.32e-75 SP O75695 "RecName: Full=Protein XRP2 [Homo sapiens]" 94.53 350 100.00 100.00 1.88e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $RP2_C-terminal_domain_peptide Human 9606 Eukaryota Metazoa Homo sapiens eye 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 $RP2_C-terminal_domain_peptide 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RP2_C-terminal_domain_peptide 0.7 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_15N_HSQC _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_HNCA _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_(H)C(CO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH-TOCSY _Sample_label $sample_1 save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_H(CCO)NH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label $sample_1 save_ save_HBHA(CBCACO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label $sample_1 save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_1H15N_HSQC_(example) _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH temperature 300 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.0 . indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'C-terminal domain of RP2' _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 1 1 MET HA H 4.190 . 1 2 1 1 MET HB2 H 1.802 . 2 3 1 1 MET HB3 H 1.923 . 2 4 1 1 MET C C 176.245 . 1 5 1 1 MET CA C 61.384 . 1 6 1 1 MET CB C 38.835 . 1 7 2 2 LYS H H 8.440 . 1 8 2 2 LYS HA H 4.334 . 1 9 2 2 LYS HB2 H 1.743 . 2 10 2 2 LYS HB3 H 1.835 . 2 11 2 2 LYS HG2 H 1.429 . 1 12 2 2 LYS HG3 H 1.429 . 1 13 2 2 LYS HD2 H 1.678 . 1 14 2 2 LYS HD3 H 1.678 . 1 15 2 2 LYS HE2 H 2.871 . 2 16 2 2 LYS HE3 H 2.992 . 2 17 2 2 LYS C C 176.160 . 1 18 2 2 LYS CA C 56.620 . 1 19 2 2 LYS CB C 33.385 . 1 20 2 2 LYS CG C 24.891 . 1 21 2 2 LYS CD C 29.238 . 1 22 2 2 LYS CE C 42.185 . 1 23 2 2 LYS N N 123.534 . 1 24 3 3 SER H H 8.510 . 1 25 3 3 SER HA H 4.440 . 1 26 3 3 SER HB2 H 3.824 . 1 27 3 3 SER HB3 H 3.824 . 1 28 3 3 SER C C 174.065 . 1 29 3 3 SER CA C 58.668 . 1 30 3 3 SER CB C 63.319 . 1 31 3 3 SER N N 118.544 . 1 32 4 4 SER H H 8.336 . 1 33 4 4 SER HA H 4.723 . 1 34 4 4 SER HB2 H 3.588 . 2 35 4 4 SER HB3 H 4.038 . 2 36 4 4 SER C C 175.074 . 1 37 4 4 SER CA C 57.236 . 1 38 4 4 SER CB C 64.083 . 1 39 4 4 SER N N 116.440 . 1 40 5 5 ASP H H 8.803 . 1 41 5 5 ASP HA H 4.696 . 1 42 5 5 ASP HB2 H 2.755 . 1 43 5 5 ASP HB3 H 2.755 . 1 44 5 5 ASP C C 175.695 . 1 45 5 5 ASP CA C 54.756 . 1 46 5 5 ASP CB C 40.856 . 1 47 5 5 ASP N N 125.703 . 1 48 6 6 GLU H H 8.700 . 1 49 6 6 GLU HA H 4.535 . 1 50 6 6 GLU HB2 H 2.299 . 1 51 6 6 GLU HB3 H 2.299 . 1 52 6 6 GLU C C 174.034 . 1 53 6 6 GLU CA C 56.499 . 1 54 6 6 GLU CB C 30.267 . 1 55 6 6 GLU N N 123.874 . 1 56 7 7 SER H H 8.286 . 1 57 7 7 SER HA H 4.700 . 1 58 7 7 SER HB2 H 4.008 . 2 59 7 7 SER HB3 H 4.259 . 2 60 7 7 SER C C 174.180 . 1 61 7 7 SER CA C 56.701 . 1 62 7 7 SER CB C 66.912 . 1 63 7 7 SER N N 121.193 . 1 64 8 8 CYS H H 9.369 . 1 65 8 8 CYS HA H 3.949 . 1 66 8 8 CYS HB2 H 3.220 . 1 67 8 8 CYS HB3 H 3.220 . 1 68 8 8 CYS C C 172.496 . 1 69 8 8 CYS CA C 59.050 . 1 70 8 8 CYS CB C 30.694 . 1 71 8 8 CYS N N 122.375 . 1 72 9 9 LEU H H 8.368 . 1 73 9 9 LEU HA H 5.213 . 1 74 9 9 LEU HB2 H 1.222 . 1 75 9 9 LEU HB3 H 1.222 . 1 76 9 9 LEU HG H 1.350 . 1 77 9 9 LEU HD1 H 0.602 . 2 78 9 9 LEU HD2 H 0.602 . 2 79 9 9 LEU C C 174.628 . 1 80 9 9 LEU CA C 54.063 . 1 81 9 9 LEU CB C 44.792 . 1 82 9 9 LEU CG C 27.540 . 1 83 9 9 LEU CD1 C 26.502 . 1 84 9 9 LEU CD2 C 26.502 . 1 85 9 9 LEU N N 102.175 . 1 86 10 10 VAL H H 8.914 . 1 87 10 10 VAL HA H 5.229 . 1 88 10 10 VAL HB H 1.856 . 1 89 10 10 VAL HG1 H 0.837 . 2 90 10 10 VAL HG2 H 1.112 . 2 91 10 10 VAL C C 175.351 . 1 92 10 10 VAL CA C 60.318 . 1 93 10 10 VAL CB C 35.410 . 1 94 10 10 VAL CG1 C 21.293 . 1 95 10 10 VAL CG2 C 23.657 . 1 96 10 10 VAL N N 125.609 . 1 97 11 11 VAL H H 9.243 . 1 98 11 11 VAL HA H 4.637 . 1 99 11 11 VAL HB H 1.632 . 1 100 11 11 VAL HG1 H 0.260 . 2 101 11 11 VAL HG2 H 0.543 . 2 102 11 11 VAL C C 173.458 . 1 103 11 11 VAL CA C 61.495 . 1 104 11 11 VAL CB C 33.911 . 1 105 11 11 VAL CG1 C 22.150 . 1 106 11 11 VAL CG2 C 20.949 . 1 107 11 11 VAL N N 125.192 . 1 108 12 12 LEU H H 8.914 . 1 109 12 12 LEU HA H 4.470 . 1 110 12 12 LEU HB2 H 1.445 . 1 111 12 12 LEU HB3 H 1.445 . 1 112 12 12 LEU HG H 1.633 . 1 113 12 12 LEU HD1 H 0.749 . 2 114 12 12 LEU HD2 H 0.653 . 2 115 12 12 LEU C C 175.168 . 1 116 12 12 LEU CA C 54.571 . 1 117 12 12 LEU CB C 43.727 . 1 118 12 12 LEU CG C 28.600 . 1 119 12 12 LEU CD1 C 26.708 . 1 120 12 12 LEU CD2 C 26.708 . 1 121 12 12 LEU N N 125.609 . 1 122 13 13 PHE H H 8.338 . 1 123 13 13 PHE HA H 4.520 . 1 124 13 13 PHE HB2 H 2.767 . 2 125 13 13 PHE HB3 H 3.193 . 2 126 13 13 PHE HD1 H 7.230 . 1 127 13 13 PHE HD2 H 7.230 . 1 128 13 13 PHE HE1 H 6.716 . 1 129 13 13 PHE HE2 H 6.716 . 1 130 13 13 PHE HZ H 6.716 . 1 131 13 13 PHE C C 175.256 . 1 132 13 13 PHE CA C 57.349 . 1 133 13 13 PHE CB C 41.360 . 1 134 13 13 PHE N N 120.193 . 1 135 14 14 ALA H H 9.174 . 1 136 14 14 ALA HA H 4.192 . 1 137 14 14 ALA HB H 1.256 . 1 138 14 14 ALA C C 177.104 . 1 139 14 14 ALA CA C 53.448 . 1 140 14 14 ALA CB C 18.590 . 1 141 14 14 ALA N N 124.668 . 1 142 15 15 GLY H H 8.140 . 1 143 15 15 GLY HA2 H 4.291 . 2 144 15 15 GLY HA3 H 3.980 . 2 145 15 15 GLY C C 174.055 . 1 146 15 15 GLY CA C 45.195 . 1 147 15 15 GLY N N 107.573 . 1 148 16 16 ASP H H 8.581 . 1 149 16 16 ASP HA H 4.259 . 1 150 16 16 ASP HB2 H 2.100 . 2 151 16 16 ASP HB3 H 2.220 . 2 152 16 16 ASP C C 177.235 . 1 153 16 16 ASP CA C 57.127 . 1 154 16 16 ASP CB C 40.746 . 1 155 16 16 ASP N N 119.554 . 1 156 17 17 TYR H H 8.457 . 1 157 17 17 TYR HA H 4.903 . 1 158 17 17 TYR HB2 H 2.776 . 2 159 17 17 TYR HB3 H 3.465 . 2 160 17 17 TYR HD1 H 7.153 . 1 161 17 17 TYR HD2 H 7.153 . 1 162 17 17 TYR HE1 H 6.880 . 1 163 17 17 TYR HE2 H 6.880 . 1 164 17 17 TYR C C 175.809 . 1 165 17 17 TYR CA C 57.228 . 1 166 17 17 TYR CB C 38.135 . 1 167 17 17 TYR N N 115.747 . 1 168 18 18 THR H H 7.345 . 1 169 18 18 THR HA H 3.833 . 1 170 18 18 THR HB H 4.274 . 1 171 18 18 THR HG2 H 1.140 . 1 172 18 18 THR C C 174.986 . 1 173 18 18 THR CA C 68.301 . 1 174 18 18 THR CB C 68.800 . 1 175 18 18 THR CG2 C 22.252 . 1 176 18 18 THR N N 118.107 . 1 177 19 19 ILE H H 8.367 . 1 178 19 19 ILE HA H 3.665 . 1 179 19 19 ILE HB H 1.860 . 1 180 19 19 ILE HG12 H 1.243 . 1 181 19 19 ILE HG13 H 1.564 . 1 182 19 19 ILE HG2 H 0.931 . 1 183 19 19 ILE HD1 H 0.855 . 1 184 19 19 ILE C C 178.123 . 1 185 19 19 ILE CA C 64.808 . 1 186 19 19 ILE CB C 36.656 . 1 187 19 19 ILE CG1 C 28.912 . 2 188 19 19 ILE CG2 C 17.242 . 1 189 19 19 ILE CD1 C 12.157 . 1 190 19 19 ILE N N 121.548 . 1 191 20 20 ALA H H 8.859 . 1 192 20 20 ALA HA H 4.137 . 1 193 20 20 ALA HB H 1.510 . 1 194 20 20 ALA C C 181.071 . 1 195 20 20 ALA CA C 55.087 . 1 196 20 20 ALA CB C 17.934 . 1 197 20 20 ALA N N 123.061 . 1 198 21 21 ASN H H 8.859 . 1 199 21 21 ASN HA H 4.561 . 1 200 21 21 ASN HB2 H 2.167 . 2 201 21 21 ASN HB3 H 2.915 . 2 202 21 21 ASN HD21 H 7.428 . 2 203 21 21 ASN HD22 H 7.033 . 2 204 21 21 ASN C C 176.837 . 1 205 21 21 ASN CA C 55.546 . 1 206 21 21 ASN CB C 37.575 . 1 207 21 21 ASN CG C 175.006 . 1 208 21 21 ASN N N 118.889 . 1 209 21 21 ASN ND2 N 109.506 . 1 210 22 22 ALA H H 8.722 . 1 211 22 22 ALA HA H 3.829 . 1 212 22 22 ALA HB H 1.461 . 1 213 22 22 ALA C C 178.580 . 1 214 22 22 ALA CA C 55.815 . 1 215 22 22 ALA CB C 17.638 . 1 216 22 22 ALA N N 123.088 . 1 217 23 23 ARG H H 7.820 . 1 218 23 23 ARG HA H 3.907 . 1 219 23 23 ARG HB2 H 2.044 . 1 220 23 23 ARG HB3 H 2.044 . 1 221 23 23 ARG HG2 H 1.749 . 1 222 23 23 ARG HG3 H 1.749 . 1 223 23 23 ARG HD2 H 3.234 . 1 224 23 23 ARG HD3 H 3.234 . 1 225 23 23 ARG HE H 7.310 . 1 226 23 23 ARG C C 178.083 . 1 227 23 23 ARG CA C 59.210 . 1 228 23 23 ARG CB C 30.134 . 1 229 23 23 ARG CG C 26.497 . 1 230 23 23 ARG CD C 43.566 . 1 231 23 23 ARG N N 115.870 . 1 232 23 23 ARG NE N 113.310 . 1 233 24 24 LYS H H 7.916 . 1 234 24 24 LYS HA H 4.252 . 1 235 24 24 LYS HB2 H 2.154 . 1 236 24 24 LYS HB3 H 2.154 . 1 237 24 24 LYS HG2 H 1.490 . 1 238 24 24 LYS HG3 H 1.490 . 1 239 24 24 LYS HD2 H 1.769 . 1 240 24 24 LYS HD3 H 1.769 . 1 241 24 24 LYS HE2 H 3.070 . 1 242 24 24 LYS HE3 H 3.070 . 1 243 24 24 LYS C C 178.383 . 1 244 24 24 LYS CA C 59.101 . 1 245 24 24 LYS CB C 32.661 . 1 246 24 24 LYS CG C 24.926 . 1 247 24 24 LYS CD C 29.255 . 1 248 24 24 LYS CE C 42.217 . 1 249 24 24 LYS N N 119.278 . 1 250 25 25 LEU H H 8.510 . 1 251 25 25 LEU HA H 3.989 . 1 252 25 25 LEU HB2 H 1.562 . 1 253 25 25 LEU HB3 H 1.562 . 1 254 25 25 LEU HG H 0.923 . 1 255 25 25 LEU HD1 H 0.868 . 2 256 25 25 LEU HD2 H 0.923 . 2 257 25 25 LEU C C 178.363 . 1 258 25 25 LEU CA C 58.462 . 1 259 25 25 LEU CB C 41.765 . 1 260 25 25 LEU CG C 27.822 . 1 261 25 25 LEU CD1 C 23.903 . 1 262 25 25 LEU CD2 C 27.822 . 1 263 25 25 LEU N N 120.414 . 1 264 26 26 ILE H H 8.610 . 1 265 26 26 ILE HA H 3.692 . 1 266 26 26 ILE HB H 2.018 . 1 267 26 26 ILE HG12 H 2.018 . 1 268 26 26 ILE HG13 H 2.018 . 1 269 26 26 ILE HG2 H 1.069 . 1 270 26 26 ILE HD1 H 0.805 . 1 271 26 26 ILE C C 177.227 . 1 272 26 26 ILE CA C 67.268 . 1 273 26 26 ILE CB C 38.934 . 1 274 26 26 ILE CG1 C 27.800 . 2 275 26 26 ILE CG2 C 18.462 . 1 276 26 26 ILE CD1 C 13.973 . 1 277 26 26 ILE N N 118.354 . 1 278 27 27 ASP H H 8.326 . 1 279 27 27 ASP HA H 4.398 . 1 280 27 27 ASP HB2 H 2.671 . 2 281 27 27 ASP HB3 H 2.896 . 2 282 27 27 ASP C C 180.694 . 1 283 27 27 ASP CA C 57.968 . 1 284 27 27 ASP CB C 40.189 . 1 285 27 27 ASP N N 118.332 . 1 286 28 28 GLU H H 8.426 . 1 287 28 28 GLU HA H 4.043 . 1 288 28 28 GLU HB2 H 2.070 . 1 289 28 28 GLU HB3 H 2.070 . 1 290 28 28 GLU HG2 H 2.455 . 1 291 28 28 GLU HG3 H 2.455 . 1 292 28 28 GLU C C 179.701 . 1 293 28 28 GLU CA C 58.820 . 1 294 28 28 GLU CB C 29.773 . 1 295 28 28 GLU CG C 35.787 . 1 296 28 28 GLU N N 120.179 . 1 297 29 29 MET H H 8.281 . 1 298 29 29 MET HA H 4.187 . 1 299 29 29 MET HB2 H 1.951 . 1 300 29 29 MET HB3 H 1.951 . 1 301 29 29 MET HG2 H 2.618 . 1 302 29 29 MET HG3 H 2.618 . 1 303 29 29 MET C C 180.047 . 1 304 29 29 MET CA C 56.929 . 1 305 29 29 MET CB C 31.916 . 1 306 29 29 MET CG C 30.866 . 1 307 29 29 MET N N 117.950 . 1 308 30 30 VAL H H 9.369 . 1 309 30 30 VAL HA H 4.363 . 1 310 30 30 VAL HB H 2.297 . 1 311 30 30 VAL HG1 H 1.207 . 2 312 30 30 VAL HG2 H 1.056 . 2 313 30 30 VAL C C 182.264 . 1 314 30 30 VAL CA C 65.339 . 1 315 30 30 VAL CB C 31.583 . 1 316 30 30 VAL CG1 C 22.494 . 1 317 30 30 VAL CG2 C 20.930 . 1 318 30 30 VAL N N 122.265 . 1 319 31 31 GLY H H 8.207 . 1 320 31 31 GLY HA2 H 3.855 . 1 321 31 31 GLY HA3 H 3.855 . 1 322 31 31 GLY C C 175.486 . 1 323 31 31 GLY CA C 46.897 . 1 324 31 31 GLY N N 109.935 . 1 325 32 32 LYS H H 7.298 . 1 326 32 32 LYS HA H 4.384 . 1 327 32 32 LYS HB2 H 2.030 . 2 328 32 32 LYS HB3 H 2.323 . 2 329 32 32 LYS HG2 H 1.581 . 1 330 32 32 LYS HG3 H 1.581 . 1 331 32 32 LYS HD2 H 1.726 . 1 332 32 32 LYS HD3 H 1.726 . 1 333 32 32 LYS HE2 H 2.983 . 1 334 32 32 LYS HE3 H 2.983 . 1 335 32 32 LYS C C 175.927 . 1 336 32 32 LYS CA C 55.998 . 1 337 32 32 LYS CB C 33.423 . 1 338 32 32 LYS CG C 25.749 . 1 339 32 32 LYS CD C 29.575 . 1 340 32 32 LYS CE C 42.426 . 1 341 32 32 LYS N N 118.491 . 1 342 33 33 GLY H H 7.818 . 1 343 33 33 GLY HA2 H 3.547 . 2 344 33 33 GLY HA3 H 3.993 . 2 345 33 33 GLY C C 174.169 . 1 346 33 33 GLY CA C 44.918 . 1 347 33 33 GLY N N 106.126 . 1 348 34 34 PHE H H 7.625 . 1 349 34 34 PHE HA H 4.552 . 1 350 34 34 PHE HB2 H 2.494 . 2 351 34 34 PHE HB3 H 2.884 . 2 352 34 34 PHE HD1 H 7.251 . 1 353 34 34 PHE HD2 H 7.251 . 1 354 34 34 PHE HE1 H 7.080 . 1 355 34 34 PHE HE2 H 7.080 . 1 356 34 34 PHE HZ H 7.023 . 1 357 34 34 PHE C C 173.698 . 1 358 34 34 PHE CA C 58.645 . 1 359 34 34 PHE CB C 40.128 . 1 360 34 34 PHE N N 118.576 . 1 361 35 35 PHE H H 8.512 . 1 362 35 35 PHE HA H 5.041 . 1 363 35 35 PHE HB2 H 3.063 . 2 364 35 35 PHE HB3 H 3.117 . 2 365 35 35 PHE HD1 H 7.300 . 1 366 35 35 PHE HD2 H 7.300 . 1 367 35 35 PHE HE1 H 7.351 . 1 368 35 35 PHE HE2 H 7.351 . 1 369 35 35 PHE HZ H 7.341 . 1 370 35 35 PHE C C 175.781 . 1 371 35 35 PHE CA C 56.560 . 1 372 35 35 PHE CB C 41.900 . 1 373 35 35 PHE N N 117.439 . 1 374 36 36 LEU H H 8.849 . 1 375 36 36 LEU HA H 4.546 . 1 376 36 36 LEU HB2 H 1.055 . 1 377 36 36 LEU HB3 H 1.055 . 1 378 36 36 LEU HG H 1.016 . 1 379 36 36 LEU HD1 H 0.784 . 2 380 36 36 LEU HD2 H 0.326 . 2 381 36 36 LEU C C 175.137 . 1 382 36 36 LEU CA C 54.329 . 1 383 36 36 LEU CB C 41.872 . 1 384 36 36 LEU CG C 27.385 . 1 385 36 36 LEU CD1 C 26.185 . 1 386 36 36 LEU CD2 C 22.796 . 1 387 36 36 LEU N N 127.042 . 1 388 37 37 VAL H H 8.909 . 1 389 37 37 VAL HA H 3.716 . 1 390 37 37 VAL HB H 1.648 . 1 391 37 37 VAL HG1 H 0.833 . 2 392 37 37 VAL HG2 H 0.898 . 2 393 37 37 VAL C C 176.427 . 1 394 37 37 VAL CA C 64.426 . 1 395 37 37 VAL CB C 33.066 . 1 396 37 37 VAL CG1 C 21.358 . 1 397 37 37 VAL CG2 C 22.681 . 1 398 37 37 VAL N N 128.704 . 1 399 38 38 GLN H H 6.949 . 1 400 38 38 GLN HA H 4.586 . 1 401 38 38 GLN HB2 H 2.044 . 1 402 38 38 GLN HB3 H 2.044 . 1 403 38 38 GLN HG2 H 1.827 . 1 404 38 38 GLN HG3 H 1.827 . 1 405 38 38 GLN C C 172.898 . 1 406 38 38 GLN CA C 54.825 . 1 407 38 38 GLN CB C 31.233 . 1 408 38 38 GLN CG C 32.367 . 1 409 38 38 GLN N N 111.184 . 1 410 39 39 THR H H 8.127 . 1 411 39 39 THR HA H 5.256 . 1 412 39 39 THR HB H 3.886 . 1 413 39 39 THR HG2 H 1.046 . 1 414 39 39 THR C C 173.564 . 1 415 39 39 THR CA C 60.565 . 1 416 39 39 THR CB C 71.104 . 1 417 39 39 THR CG2 C 21.397 . 1 418 39 39 THR N N 113.967 . 1 419 40 40 LYS H H 8.871 . 1 420 40 40 LYS HA H 4.680 . 1 421 40 40 LYS HB2 H 1.792 . 2 422 40 40 LYS HB3 H 1.875 . 2 423 40 40 LYS HG2 H 1.449 . 2 424 40 40 LYS HG3 H 1.379 . 2 425 40 40 LYS HD2 H 1.691 . 1 426 40 40 LYS HD3 H 1.691 . 1 427 40 40 LYS HE2 H 2.847 . 1 428 40 40 LYS HE3 H 2.847 . 1 429 40 40 LYS C C 173.437 . 1 430 40 40 LYS CA C 55.727 . 1 431 40 40 LYS CB C 37.974 . 1 432 40 40 LYS CG C 25.627 . 1 433 40 40 LYS CD C 29.508 . 1 434 40 40 LYS CE C 42.110 . 1 435 40 40 LYS N N 124.215 . 1 436 41 41 GLU H H 8.509 . 1 437 41 41 GLU HA H 5.672 . 1 438 41 41 GLU HB2 H 1.985 . 1 439 41 41 GLU HB3 H 1.985 . 1 440 41 41 GLU HG2 H 1.985 . 2 441 41 41 GLU HG3 H 2.140 . 2 442 41 41 GLU C C 176.222 . 1 443 41 41 GLU CA C 54.752 . 1 444 41 41 GLU CB C 31.324 . 1 445 41 41 GLU CG C 36.963 . 1 446 41 41 GLU N N 126.420 . 1 447 42 42 VAL H H 8.616 . 1 448 42 42 VAL HA H 4.621 . 1 449 42 42 VAL HB H 2.025 . 1 450 42 42 VAL HG1 H 0.779 . 2 451 42 42 VAL HG2 H 0.931 . 2 452 42 42 VAL C C 173.948 . 1 453 42 42 VAL CA C 60.220 . 1 454 42 42 VAL CB C 36.312 . 1 455 42 42 VAL CG1 C 20.791 . 1 456 42 42 VAL CG2 C 20.791 . 1 457 42 42 VAL N N 122.916 . 1 458 43 43 SER H H 8.762 . 1 459 43 43 SER HA H 4.723 . 1 460 43 43 SER HB2 H 3.788 . 2 461 43 43 SER HB3 H 3.831 . 2 462 43 43 SER C C 173.768 . 1 463 43 43 SER CA C 58.708 . 1 464 43 43 SER CB C 62.699 . 1 465 43 43 SER N N 122.561 . 1 466 44 44 MET H H 8.806 . 1 467 44 44 MET HA H 4.478 . 1 468 44 44 MET HB2 H 2.021 . 1 469 44 44 MET HB3 H 2.021 . 1 470 44 44 MET HG2 H 2.485 . 2 471 44 44 MET HG3 H 2.324 . 2 472 44 44 MET C C 175.249 . 1 473 44 44 MET CA C 56.083 . 1 474 44 44 MET CB C 36.612 . 1 475 44 44 MET CG C 32.885 . 1 476 44 44 MET N N 125.692 . 1 477 45 45 LYS H H 9.190 . 1 478 45 45 LYS HA H 4.573 . 1 479 45 45 LYS HB2 H 1.703 . 2 480 45 45 LYS HB3 H 2.123 . 2 481 45 45 LYS HG2 H 1.511 . 1 482 45 45 LYS HG3 H 1.511 . 1 483 45 45 LYS HD2 H 1.738 . 1 484 45 45 LYS HD3 H 1.738 . 1 485 45 45 LYS HE2 H 3.012 . 1 486 45 45 LYS HE3 H 3.012 . 1 487 45 45 LYS C C 178.424 . 1 488 45 45 LYS CA C 54.759 . 1 489 45 45 LYS CB C 33.880 . 1 490 45 45 LYS CG C 25.396 . 1 491 45 45 LYS CD C 28.726 . 1 492 45 45 LYS CE C 42.131 . 1 493 45 45 LYS N N 122.855 . 1 494 46 46 ALA H H 9.020 . 1 495 46 46 ALA HA H 3.791 . 1 496 46 46 ALA HB H 1.444 . 1 497 46 46 ALA C C 180.109 . 1 498 46 46 ALA CA C 56.268 . 1 499 46 46 ALA CB C 17.849 . 1 500 46 46 ALA N N 126.044 . 1 501 47 47 GLU H H 9.405 . 1 502 47 47 GLU HA H 4.018 . 1 503 47 47 GLU HB2 H 1.921 . 1 504 47 47 GLU HB3 H 1.921 . 1 505 47 47 GLU HG2 H 2.274 . 1 506 47 47 GLU HG3 H 2.274 . 1 507 47 47 GLU C C 178.916 . 1 508 47 47 GLU CA C 59.683 . 1 509 47 47 GLU CB C 28.468 . 1 510 47 47 GLU CG C 36.513 . 1 511 47 47 GLU N N 115.527 . 1 512 48 48 ASP H H 7.012 . 1 513 48 48 ASP HA H 4.273 . 1 514 48 48 ASP HB2 H 2.643 . 2 515 48 48 ASP HB3 H 2.167 . 2 516 48 48 ASP C C 177.187 . 1 517 48 48 ASP CA C 56.523 . 1 518 48 48 ASP CB C 41.662 . 1 519 48 48 ASP N N 118.917 . 1 520 49 49 ALA H H 7.822 . 1 521 49 49 ALA HA H 3.467 . 1 522 49 49 ALA HB H 1.568 . 1 523 49 49 ALA C C 179.310 . 1 524 49 49 ALA CA C 54.726 . 1 525 49 49 ALA CB C 18.884 . 1 526 49 49 ALA N N 121.065 . 1 527 50 50 GLN H H 8.191 . 1 528 50 50 GLN HA H 3.864 . 1 529 50 50 GLN HB2 H 2.050 . 1 530 50 50 GLN HB3 H 2.050 . 1 531 50 50 GLN HG2 H 2.395 . 1 532 50 50 GLN HG3 H 2.395 . 1 533 50 50 GLN HE21 H 6.755 . 2 534 50 50 GLN HE22 H 7.344 . 2 535 50 50 GLN C C 178.125 . 1 536 50 50 GLN CA C 59.104 . 1 537 50 50 GLN CB C 28.232 . 1 538 50 50 GLN CG C 33.852 . 1 539 50 50 GLN CD C 179.595 . 1 540 50 50 GLN N N 116.879 . 1 541 50 50 GLN NE2 N 110.854 . 1 542 51 51 ARG H H 7.244 . 1 543 51 51 ARG HA H 3.947 . 1 544 51 51 ARG HB2 H 1.812 . 1 545 51 51 ARG HB3 H 1.812 . 1 546 51 51 ARG HG2 H 1.394 . 2 547 51 51 ARG HG3 H 1.676 . 2 548 51 51 ARG HD2 H 3.023 . 1 549 51 51 ARG HD3 H 3.023 . 1 550 51 51 ARG HE H 7.130 . 1 551 51 51 ARG C C 177.206 . 1 552 51 51 ARG CA C 58.904 . 1 553 51 51 ARG CB C 30.533 . 1 554 51 51 ARG CG C 27.853 . 1 555 51 51 ARG CD C 42.853 . 1 556 51 51 ARG N N 118.388 . 1 557 51 51 ARG NE N 112.200 . 1 558 52 52 VAL H H 7.589 . 1 559 52 52 VAL HA H 3.670 . 1 560 52 52 VAL HB H 0.756 . 1 561 52 52 VAL HG1 H 0.268 . 2 562 52 52 VAL HG2 H 0.551 . 2 563 52 52 VAL C C 176.243 . 1 564 52 52 VAL CA C 64.649 . 1 565 52 52 VAL CB C 32.709 . 1 566 52 52 VAL CG1 C 21.364 . 1 567 52 52 VAL CG2 C 21.754 . 1 568 52 52 VAL N N 114.896 . 1 569 53 53 PHE H H 8.048 . 1 570 53 53 PHE HA H 4.502 . 1 571 53 53 PHE HB2 H 2.705 . 2 572 53 53 PHE HB3 H 3.152 . 2 573 53 53 PHE HD1 H 6.390 . 1 574 53 53 PHE HD2 H 6.390 . 1 575 53 53 PHE HE1 H 7.002 . 1 576 53 53 PHE HE2 H 7.002 . 1 577 53 53 PHE HZ H 7.369 . 1 578 53 53 PHE C C 176.771 . 1 579 53 53 PHE CA C 55.780 . 1 580 53 53 PHE CB C 38.258 . 1 581 53 53 PHE N N 113.789 . 1 582 54 54 ARG H H 7.671 . 1 583 54 54 ARG HA H 4.082 . 1 584 54 54 ARG HB2 H 1.615 . 1 585 54 54 ARG HB3 H 1.615 . 1 586 54 54 ARG HG2 H 2.016 . 1 587 54 54 ARG HG3 H 2.016 . 1 588 54 54 ARG HD2 H 3.392 . 1 589 54 54 ARG HD3 H 3.392 . 1 590 54 54 ARG HE H 7.440 . 1 591 54 54 ARG C C 178.309 . 1 592 54 54 ARG CA C 57.834 . 1 593 54 54 ARG CB C 27.651 . 1 594 54 54 ARG CG C 27.538 . 1 595 54 54 ARG CD C 43.575 . 1 596 54 54 ARG N N 117.906 . 1 597 54 54 ARG NE N 113.100 . 1 598 55 55 GLU H H 9.463 . 1 599 55 55 GLU HA H 4.269 . 1 600 55 55 GLU HB2 H 2.204 . 1 601 55 55 GLU HB3 H 2.204 . 1 602 55 55 GLU HG2 H 2.400 . 2 603 55 55 GLU HG3 H 2.524 . 2 604 55 55 GLU C C 177.161 . 1 605 55 55 GLU CA C 59.474 . 1 606 55 55 GLU CB C 28.276 . 1 607 55 55 GLU CG C 36.526 . 1 608 55 55 GLU N N 124.420 . 1 609 56 56 LYS H H 7.990 . 1 610 56 56 LYS HA H 4.467 . 1 611 56 56 LYS HB2 H 2.006 . 2 612 56 56 LYS HB3 H 2.225 . 2 613 56 56 LYS HG2 H 1.572 . 2 614 56 56 LYS HG3 H 1.757 . 2 615 56 56 LYS HD2 H 1.921 . 1 616 56 56 LYS HD3 H 1.921 . 1 617 56 56 LYS HE2 H 3.136 . 1 618 56 56 LYS HE3 H 3.136 . 1 619 56 56 LYS C C 176.507 . 1 620 56 56 LYS CA C 55.836 . 1 621 56 56 LYS CB C 32.903 . 1 622 56 56 LYS CG C 25.724 . 1 623 56 56 LYS CD C 29.519 . 1 624 56 56 LYS CE C 42.424 . 1 625 56 56 LYS N N 116.632 . 1 626 57 57 ALA H H 7.936 . 1 627 57 57 ALA HA H 4.121 . 1 628 57 57 ALA HB H 1.580 . 1 629 57 57 ALA C C 174.159 . 1 630 57 57 ALA CA C 57.695 . 1 631 57 57 ALA CB C 16.038 . 1 632 57 57 ALA N N 121.345 . 1 633 58 58 PRO HA H 4.182 . 1 634 58 58 PRO HB2 H 1.770 . 2 635 58 58 PRO HB3 H 2.331 . 2 636 58 58 PRO HG2 H 2.098 . 2 637 58 58 PRO HG3 H 1.922 . 2 638 58 58 PRO HD2 H 3.680 . 1 639 58 58 PRO HD3 H 3.680 . 1 640 58 58 PRO C C 177.767 . 1 641 58 58 PRO CA C 66.584 . 1 642 58 58 PRO CB C 31.028 . 1 643 58 58 PRO CG C 28.445 . 1 644 58 58 PRO CD C 50.619 . 1 645 59 59 ASP H H 7.322 . 1 646 59 59 ASP HA H 4.116 . 1 647 59 59 ASP HB2 H 2.052 . 2 648 59 59 ASP HB3 H 1.832 . 2 649 59 59 ASP C C 176.484 . 1 650 59 59 ASP CA C 55.973 . 1 651 59 59 ASP CB C 40.256 . 1 652 59 59 ASP N N 114.251 . 1 653 60 60 PHE H H 7.388 . 1 654 60 60 PHE HA H 4.370 . 1 655 60 60 PHE HB2 H 2.216 . 2 656 60 60 PHE HB3 H 2.656 . 2 657 60 60 PHE HD1 H 6.403 . 1 658 60 60 PHE HD2 H 6.403 . 1 659 60 60 PHE HE1 H 6.683 . 1 660 60 60 PHE HE2 H 6.683 . 1 661 60 60 PHE HZ H 6.882 . 1 662 60 60 PHE C C 176.438 . 1 663 60 60 PHE CA C 56.400 . 1 664 60 60 PHE CB C 40.600 . 1 665 60 60 PHE N N 114.568 . 1 666 61 61 LEU H H 7.828 . 1 667 61 61 LEU HA H 4.069 . 1 668 61 61 LEU HB2 H 1.610 . 2 669 61 61 LEU HB3 H 1.833 . 2 670 61 61 LEU HG H 1.860 . 1 671 61 61 LEU HD1 H 0.921 . 2 672 61 61 LEU HD2 H 0.948 . 2 673 61 61 LEU C C 176.115 . 1 674 61 61 LEU CA C 59.862 . 1 675 61 61 LEU CB C 39.596 . 1 676 61 61 LEU CG C 27.305 . 1 677 61 61 LEU CD1 C 23.941 . 1 678 61 61 LEU CD2 C 24.844 . 1 679 61 61 LEU N N 120.608 . 1 680 62 62 PRO HA H 4.385 . 1 681 62 62 PRO HB2 H 1.668 . 2 682 62 62 PRO HB3 H 2.383 . 2 683 62 62 PRO HG2 H 1.916 . 1 684 62 62 PRO HG3 H 1.916 . 1 685 62 62 PRO HD2 H 3.675 . 1 686 62 62 PRO HD3 H 3.675 . 1 687 62 62 PRO C C 178.041 . 1 688 62 62 PRO CA C 65.469 . 1 689 62 62 PRO CB C 31.594 . 1 690 62 62 PRO CG C 28.512 . 1 691 62 62 PRO CD C 51.203 . 1 692 63 63 LEU H H 7.504 . 1 693 63 63 LEU HA H 4.236 . 1 694 63 63 LEU HB2 H 1.513 . 1 695 63 63 LEU HB3 H 1.513 . 1 696 63 63 LEU HG H 1.467 . 1 697 63 63 LEU HD1 H 0.782 . 2 698 63 63 LEU HD2 H 0.572 . 2 699 63 63 LEU C C 180.656 . 1 700 63 63 LEU CA C 55.584 . 1 701 63 63 LEU CB C 40.855 . 1 702 63 63 LEU CG C 27.556 . 1 703 63 63 LEU CD1 C 22.348 . 1 704 63 63 LEU CD2 C 25.700 . 1 705 63 63 LEU N N 114.017 . 1 706 64 64 LEU H H 7.696 . 1 707 64 64 LEU HA H 4.330 . 1 708 64 64 LEU HB2 H 1.865 . 1 709 64 64 LEU HB3 H 1.865 . 1 710 64 64 LEU HG H 2.158 . 1 711 64 64 LEU HD1 H 1.086 . 2 712 64 64 LEU HD2 H 0.910 . 2 713 64 64 LEU C C 178.288 . 1 714 64 64 LEU CA C 57.317 . 1 715 64 64 LEU CB C 40.890 . 1 716 64 64 LEU CG C 26.433 . 1 717 64 64 LEU CD1 C 23.077 . 1 718 64 64 LEU CD2 C 26.217 . 1 719 64 64 LEU N N 118.933 . 1 720 65 65 ASN H H 7.752 . 1 721 65 65 ASN HA H 4.649 . 1 722 65 65 ASN HB2 H 2.898 . 1 723 65 65 ASN HB3 H 2.898 . 1 724 65 65 ASN C C 176.322 . 1 725 65 65 ASN CA C 54.389 . 1 726 65 65 ASN CB C 38.368 . 1 727 65 65 ASN N N 113.027 . 1 728 66 66 LYS H H 7.348 . 1 729 66 66 LYS HA H 4.215 . 1 730 66 66 LYS HB2 H 1.964 . 1 731 66 66 LYS HB3 H 1.964 . 1 732 66 66 LYS HG2 H 1.494 . 2 733 66 66 LYS HG3 H 1.653 . 2 734 66 66 LYS HD2 H 1.777 . 1 735 66 66 LYS HD3 H 1.777 . 1 736 66 66 LYS HE2 H 3.059 . 1 737 66 66 LYS HE3 H 3.059 . 1 738 66 66 LYS C C 176.206 . 1 739 66 66 LYS CA C 57.030 . 1 740 66 66 LYS CB C 32.959 . 1 741 66 66 LYS CG C 25.080 . 1 742 66 66 LYS CD C 29.136 . 1 743 66 66 LYS CE C 42.292 . 1 744 66 66 LYS N N 116.749 . 1 745 67 67 GLY H H 7.217 . 1 746 67 67 GLY HA2 H 3.960 . 2 747 67 67 GLY HA3 H 4.380 . 2 748 67 67 GLY C C 169.941 . 1 749 67 67 GLY CA C 44.736 . 1 750 67 67 GLY N N 104.694 . 1 751 68 68 PRO HA H 4.498 . 1 752 68 68 PRO HB2 H 1.785 . 2 753 68 68 PRO HB3 H 2.057 . 2 754 68 68 PRO HG2 H 2.020 . 2 755 68 68 PRO HG3 H 1.909 . 2 756 68 68 PRO HD2 H 3.589 . 1 757 68 68 PRO HD3 H 3.589 . 1 758 68 68 PRO C C 175.524 . 1 759 68 68 PRO CA C 63.274 . 1 760 68 68 PRO CB C 32.303 . 1 761 68 68 PRO CG C 27.328 . 1 762 68 68 PRO CD C 49.520 . 1 763 69 69 VAL H H 8.490 . 1 764 69 69 VAL HA H 4.724 . 1 765 69 69 VAL HB H 2.024 . 1 766 69 69 VAL HG1 H 1.102 . 2 767 69 69 VAL HG2 H 0.956 . 2 768 69 69 VAL C C 175.308 . 1 769 69 69 VAL CA C 58.874 . 1 770 69 69 VAL CB C 31.938 . 1 771 69 69 VAL CG1 C 22.942 . 1 772 69 69 VAL CG2 C 18.679 . 1 773 69 69 VAL N N 113.943 . 1 774 70 70 ILE H H 8.320 . 1 775 70 70 ILE HA H 4.638 . 1 776 70 70 ILE HB H 1.450 . 1 777 70 70 ILE HG12 H 0.925 . 1 778 70 70 ILE HG13 H 0.925 . 1 779 70 70 ILE HG2 H 0.606 . 1 780 70 70 ILE HD1 H 0.696 . 1 781 70 70 ILE C C 173.733 . 1 782 70 70 ILE CA C 60.549 . 1 783 70 70 ILE CB C 40.413 . 1 784 70 70 ILE CG1 C 27.483 . 2 785 70 70 ILE CG2 C 17.250 . 1 786 70 70 ILE CD1 C 13.398 . 1 787 70 70 ILE N N 118.289 . 1 788 71 71 ALA H H 9.005 . 1 789 71 71 ALA HA H 5.301 . 1 790 71 71 ALA HB H 0.566 . 1 791 71 71 ALA C C 176.422 . 1 792 71 71 ALA CA C 49.341 . 1 793 71 71 ALA CB C 22.517 . 1 794 71 71 ALA N N 128.874 . 1 795 72 72 LEU H H 9.350 . 1 796 72 72 LEU HA H 4.738 . 1 797 72 72 LEU HB2 H 0.775 . 2 798 72 72 LEU HB3 H 1.465 . 2 799 72 72 LEU HG H 1.433 . 1 800 72 72 LEU HD1 H 0.767 . 2 801 72 72 LEU HD2 H 0.839 . 2 802 72 72 LEU C C 174.130 . 1 803 72 72 LEU CA C 53.502 . 1 804 72 72 LEU CB C 45.199 . 1 805 72 72 LEU CG C 27.214 . 1 806 72 72 LEU CD1 C 26.022 . 1 807 72 72 LEU CD2 C 27.060 . 1 808 72 72 LEU N N 123.154 . 1 809 73 73 GLU H H 7.505 . 1 810 73 73 GLU HA H 4.080 . 1 811 73 73 GLU HB2 H 2.149 . 1 812 73 73 GLU HB3 H 2.149 . 1 813 73 73 GLU HG2 H 2.108 . 1 814 73 73 GLU HG3 H 2.108 . 1 815 73 73 GLU C C 175.384 . 1 816 73 73 GLU CA C 53.665 . 1 817 73 73 GLU CB C 32.667 . 1 818 73 73 GLU CG C 35.969 . 1 819 73 73 GLU N N 120.022 . 1 820 74 74 PHE H H 8.692 . 1 821 74 74 PHE HA H 5.822 . 1 822 74 74 PHE HB2 H 2.450 . 2 823 74 74 PHE HB3 H 2.798 . 2 824 74 74 PHE HD1 H 6.983 . 1 825 74 74 PHE HD2 H 6.983 . 1 826 74 74 PHE HE1 H 7.116 . 1 827 74 74 PHE HE2 H 7.116 . 1 828 74 74 PHE HZ H 7.116 . 1 829 74 74 PHE C C 175.075 . 1 830 74 74 PHE CA C 56.422 . 1 831 74 74 PHE CB C 43.900 . 1 832 74 74 PHE N N 123.587 . 1 833 75 75 ASN H H 9.595 . 1 834 75 75 ASN HA H 5.822 . 1 835 75 75 ASN HB2 H 2.894 . 2 836 75 75 ASN HB3 H 2.500 . 2 837 75 75 ASN C C 173.757 . 1 838 75 75 ASN CA C 53.087 . 1 839 75 75 ASN CB C 45.410 . 1 840 75 75 ASN N N 119.520 . 1 841 76 76 GLY H H 8.527 . 1 842 76 76 GLY HA2 H 3.864 . 1 843 76 76 GLY HA3 H 3.864 . 1 844 76 76 GLY C C 172.784 . 1 845 76 76 GLY CA C 44.906 . 1 846 76 76 GLY N N 112.697 . 1 847 77 77 ASP H H 8.704 . 1 848 77 77 ASP HA H 4.537 . 1 849 77 77 ASP HB2 H 2.727 . 2 850 77 77 ASP HB3 H 2.667 . 2 851 77 77 ASP C C 177.434 . 1 852 77 77 ASP CA C 56.709 . 1 853 77 77 ASP CB C 40.030 . 1 854 77 77 ASP N N 122.228 . 1 855 78 78 GLY H H 9.353 . 1 856 78 78 GLY HA2 H 4.401 . 2 857 78 78 GLY HA3 H 3.916 . 2 858 78 78 GLY C C 174.040 . 1 859 78 78 GLY CA C 45.602 . 1 860 78 78 GLY N N 115.969 . 1 861 79 79 ALA H H 7.849 . 1 862 79 79 ALA HA H 2.528 . 1 863 79 79 ALA HB H 0.950 . 1 864 79 79 ALA C C 178.593 . 1 865 79 79 ALA CA C 55.498 . 1 866 79 79 ALA CB C 18.660 . 1 867 79 79 ALA N N 121.657 . 1 868 80 80 VAL H H 8.579 . 1 869 80 80 VAL HA H 3.490 . 1 870 80 80 VAL HB H 1.898 . 1 871 80 80 VAL HG1 H 0.553 . 2 872 80 80 VAL HG2 H 0.960 . 2 873 80 80 VAL C C 177.213 . 1 874 80 80 VAL CA C 67.198 . 1 875 80 80 VAL CB C 30.802 . 1 876 80 80 VAL CG1 C 21.592 . 1 877 80 80 VAL CG2 C 23.677 . 1 878 80 80 VAL N N 115.521 . 1 879 81 81 GLU H H 8.187 . 1 880 81 81 GLU HA H 3.821 . 1 881 81 81 GLU HB2 H 1.979 . 1 882 81 81 GLU HB3 H 1.979 . 1 883 81 81 GLU HG2 H 2.261 . 1 884 81 81 GLU HG3 H 2.261 . 1 885 81 81 GLU C C 179.711 . 1 886 81 81 GLU CA C 59.740 . 1 887 81 81 GLU CB C 29.614 . 1 888 81 81 GLU CG C 36.533 . 1 889 81 81 GLU N N 118.836 . 1 890 82 82 VAL H H 8.077 . 1 891 82 82 VAL HA H 3.560 . 1 892 82 82 VAL HB H 1.439 . 1 893 82 82 VAL HG1 H 1.123 . 2 894 82 82 VAL HG2 H 0.877 . 2 895 82 82 VAL C C 177.105 . 1 896 82 82 VAL CA C 66.694 . 1 897 82 82 VAL CB C 31.217 . 1 898 82 82 VAL CG1 C 23.322 . 1 899 82 82 VAL CG2 C 22.111 . 1 900 82 82 VAL N N 118.852 . 1 901 83 83 CYS H H 8.250 . 1 902 83 83 CYS HA H 3.849 . 1 903 83 83 CYS HB2 H 2.734 . 1 904 83 83 CYS HB3 H 2.734 . 1 905 83 83 CYS C C 177.246 . 1 906 83 83 CYS CA C 63.770 . 1 907 83 83 CYS CB C 27.835 . 1 908 83 83 CYS N N 120.557 . 1 909 84 84 GLN H H 8.246 . 1 910 84 84 GLN HA H 3.716 . 1 911 84 84 GLN HB2 H 1.966 . 2 912 84 84 GLN HB3 H 2.114 . 2 913 84 84 GLN HG2 H 2.222 . 2 914 84 84 GLN HG3 H 2.595 . 2 915 84 84 GLN C C 178.633 . 1 916 84 84 GLN CA C 59.429 . 1 917 84 84 GLN CB C 28.081 . 1 918 84 84 GLN CG C 33.903 . 1 919 84 84 GLN N N 115.060 . 1 920 85 85 LEU H H 7.491 . 1 921 85 85 LEU HA H 4.100 . 1 922 85 85 LEU HB2 H 1.777 . 1 923 85 85 LEU HB3 H 1.777 . 1 924 85 85 LEU HG H 1.779 . 1 925 85 85 LEU HD1 H 0.898 . 2 926 85 85 LEU HD2 H 0.936 . 2 927 85 85 LEU C C 179.817 . 1 928 85 85 LEU CA C 58.404 . 1 929 85 85 LEU CB C 41.889 . 1 930 85 85 LEU CG C 26.884 . 1 931 85 85 LEU CD1 C 23.923 . 1 932 85 85 LEU CD2 C 24.967 . 1 933 85 85 LEU N N 119.974 . 1 934 86 86 ILE H H 8.263 . 1 935 86 86 ILE HA H 3.699 . 1 936 86 86 ILE HB H 1.837 . 1 937 86 86 ILE HG12 H 1.687 . 1 938 86 86 ILE HG13 H 1.687 . 1 939 86 86 ILE HG2 H 0.799 . 1 940 86 86 ILE HD1 H 0.636 . 1 941 86 86 ILE C C 178.929 . 1 942 86 86 ILE CA C 65.126 . 1 943 86 86 ILE CB C 38.267 . 1 944 86 86 ILE CG1 C 26.859 . 2 945 86 86 ILE CG2 C 17.910 . 1 946 86 86 ILE CD1 C 14.608 . 1 947 86 86 ILE N N 120.252 . 1 948 87 87 VAL H H 8.793 . 1 949 87 87 VAL HA H 3.788 . 1 950 87 87 VAL HB H 2.200 . 1 951 87 87 VAL HG1 H 0.977 . 2 952 87 87 VAL HG2 H 1.069 . 2 953 87 87 VAL C C 178.580 . 1 954 87 87 VAL CA C 67.302 . 1 955 87 87 VAL CB C 31.568 . 1 956 87 87 VAL CG1 C 21.685 . 1 957 87 87 VAL CG2 C 23.546 . 1 958 87 87 VAL N N 119.403 . 1 959 88 88 ASN H H 7.893 . 1 960 88 88 ASN HA H 4.490 . 1 961 88 88 ASN HB2 H 2.810 . 2 962 88 88 ASN HB3 H 2.900 . 2 963 88 88 ASN HD21 H 7.662 . 2 964 88 88 ASN HD22 H 6.878 . 2 965 88 88 ASN C C 178.560 . 1 966 88 88 ASN CA C 55.780 . 1 967 88 88 ASN CB C 39.019 . 1 968 88 88 ASN CG C 176.883 . 1 969 88 88 ASN N N 116.492 . 1 970 88 88 ASN ND2 N 112.916 . 1 971 89 89 GLU H H 7.901 . 1 972 89 89 GLU HA H 4.255 . 1 973 89 89 GLU HB2 H 2.133 . 1 974 89 89 GLU HB3 H 2.133 . 1 975 89 89 GLU HG2 H 2.354 . 1 976 89 89 GLU HG3 H 2.354 . 1 977 89 89 GLU C C 178.560 . 1 978 89 89 GLU CA C 58.707 . 1 979 89 89 GLU CB C 30.830 . 1 980 89 89 GLU CG C 36.295 . 1 981 89 89 GLU N N 117.718 . 1 982 90 90 ILE H H 8.372 . 1 983 90 90 ILE HA H 4.038 . 1 984 90 90 ILE HB H 1.538 . 1 985 90 90 ILE HG12 H 0.978 . 1 986 90 90 ILE HG13 H 0.763 . 1 987 90 90 ILE HG2 H 0.257 . 1 988 90 90 ILE HD1 H 0.491 . 1 989 90 90 ILE C C 176.687 . 1 990 90 90 ILE CA C 62.773 . 1 991 90 90 ILE CB C 38.870 . 1 992 90 90 ILE CG1 C 26.833 . 2 993 90 90 ILE CG2 C 16.922 . 1 994 90 90 ILE CD1 C 13.506 . 1 995 90 90 ILE N N 114.716 . 1 996 91 91 PHE H H 7.524 . 1 997 91 91 PHE HA H 5.039 . 1 998 91 91 PHE HB2 H 3.104 . 2 999 91 91 PHE HB3 H 3.480 . 2 1000 91 91 PHE HD1 H 7.243 . 1 1001 91 91 PHE HD2 H 7.243 . 1 1002 91 91 PHE HE1 H 7.106 . 1 1003 91 91 PHE HE2 H 7.106 . 1 1004 91 91 PHE HZ H 7.106 . 1 1005 91 91 PHE C C 176.687 . 1 1006 91 91 PHE CA C 56.656 . 1 1007 91 91 PHE CB C 38.870 . 1 1008 91 91 PHE N N 118.242 . 1 1009 92 92 ASN H H 7.524 . 1 1010 92 92 ASN HA H 4.486 . 1 1011 92 92 ASN HB2 H 2.689 . 2 1012 92 92 ASN HB3 H 2.911 . 2 1013 92 92 ASN C C 176.696 . 1 1014 92 92 ASN CA C 55.819 . 1 1015 92 92 ASN CB C 38.823 . 1 1016 92 92 ASN N N 118.242 . 1 1017 93 93 GLY H H 8.937 . 1 1018 93 93 GLY HA2 H 4.283 . 2 1019 93 93 GLY HA3 H 3.752 . 2 1020 93 93 GLY C C 174.497 . 1 1021 93 93 GLY CA C 45.444 . 1 1022 93 93 GLY N N 113.720 . 1 1023 94 94 THR H H 8.173 . 1 1024 94 94 THR HA H 4.385 . 1 1025 94 94 THR HB H 4.163 . 1 1026 94 94 THR HG2 H 1.166 . 1 1027 94 94 THR C C 173.583 . 1 1028 94 94 THR CA C 62.628 . 1 1029 94 94 THR CB C 70.133 . 1 1030 94 94 THR CG2 C 21.856 . 1 1031 94 94 THR N N 118.745 . 1 1032 95 95 LYS H H 8.663 . 1 1033 95 95 LYS HA H 4.490 . 1 1034 95 95 LYS HB2 H 1.621 . 2 1035 95 95 LYS HB3 H 1.870 . 2 1036 95 95 LYS HG2 H 1.464 . 1 1037 95 95 LYS HG3 H 1.464 . 1 1038 95 95 LYS HD2 H 1.527 . 1 1039 95 95 LYS HD3 H 1.527 . 1 1040 95 95 LYS HE2 H 2.831 . 1 1041 95 95 LYS HE3 H 2.831 . 1 1042 95 95 LYS C C 175.039 . 1 1043 95 95 LYS CA C 56.641 . 1 1044 95 95 LYS CB C 32.641 . 1 1045 95 95 LYS CG C 24.604 . 1 1046 95 95 LYS CD C 29.000 . 1 1047 95 95 LYS CE C 42.160 . 1 1048 95 95 LYS N N 127.039 . 1 1049 96 96 MET H H 8.286 . 1 1050 96 96 MET HA H 4.846 . 1 1051 96 96 MET HB2 H 1.858 . 2 1052 96 96 MET HB3 H 2.045 . 2 1053 96 96 MET HG2 H 2.167 . 2 1054 96 96 MET HG3 H 2.339 . 2 1055 96 96 MET C C 173.948 . 1 1056 96 96 MET CA C 55.335 . 1 1057 96 96 MET CB C 35.404 . 1 1058 96 96 MET CG C 31.406 . 1 1059 96 96 MET N N 121.193 . 1 1060 97 97 PHE H H 8.710 . 1 1061 97 97 PHE HA H 4.727 . 1 1062 97 97 PHE HB2 H 2.541 . 2 1063 97 97 PHE HB3 H 2.035 . 2 1064 97 97 PHE HD1 H 6.884 . 1 1065 97 97 PHE HD2 H 6.884 . 1 1066 97 97 PHE HE1 H 7.313 . 1 1067 97 97 PHE HE2 H 7.313 . 1 1068 97 97 PHE HZ H 7.573 . 1 1069 97 97 PHE C C 173.210 . 1 1070 97 97 PHE CA C 57.687 . 1 1071 97 97 PHE CB C 41.197 . 1 1072 97 97 PHE N N 122.553 . 1 1073 98 98 VAL H H 7.104 . 1 1074 98 98 VAL HA H 4.674 . 1 1075 98 98 VAL HB H 1.625 . 1 1076 98 98 VAL HG1 H 0.889 . 2 1077 98 98 VAL HG2 H 0.889 . 2 1078 98 98 VAL C C 174.635 . 1 1079 98 98 VAL CA C 60.041 . 1 1080 98 98 VAL CB C 35.215 . 1 1081 98 98 VAL CG1 C 22.081 . 1 1082 98 98 VAL CG2 C 22.081 . 1 1083 98 98 VAL N N 126.651 . 1 1084 99 99 SER H H 8.179 . 1 1085 99 99 SER HA H 4.432 . 1 1086 99 99 SER HB2 H 3.788 . 2 1087 99 99 SER HB3 H 3.858 . 2 1088 99 99 SER C C 172.382 . 1 1089 99 99 SER CA C 61.029 . 1 1090 99 99 SER CB C 65.291 . 1 1091 99 99 SER N N 121.574 . 1 1092 100 100 GLU H H 9.034 . 1 1093 100 100 GLU HA H 4.297 . 1 1094 100 100 GLU HB2 H 2.090 . 1 1095 100 100 GLU HB3 H 2.090 . 1 1096 100 100 GLU HG2 H 2.137 . 2 1097 100 100 GLU HG3 H 2.344 . 2 1098 100 100 GLU C C 176.896 . 1 1099 100 100 GLU CA C 58.611 . 1 1100 100 100 GLU CB C 30.937 . 1 1101 100 100 GLU CG C 35.984 . 1 1102 100 100 GLU N N 120.656 . 1 1103 101 101 SER H H 8.299 . 1 1104 101 101 SER HA H 4.440 . 1 1105 101 101 SER HB2 H 3.907 . 1 1106 101 101 SER HB3 H 3.907 . 1 1107 101 101 SER C C 174.525 . 1 1108 101 101 SER CA C 58.775 . 1 1109 101 101 SER CB C 63.587 . 1 1110 101 101 SER N N 122.558 . 1 1111 102 102 LYS H H 8.217 . 1 1112 102 102 LYS HA H 4.298 . 1 1113 102 102 LYS HB2 H 1.926 . 1 1114 102 102 LYS HB3 H 1.926 . 1 1115 102 102 LYS HG2 H 1.548 . 1 1116 102 102 LYS HG3 H 1.548 . 1 1117 102 102 LYS HD2 H 1.696 . 2 1118 102 102 LYS HD3 H 1.813 . 2 1119 102 102 LYS C C 177.938 . 1 1120 102 102 LYS CA C 59.212 . 1 1121 102 102 LYS CB C 32.075 . 1 1122 102 102 LYS CG C 24.423 . 1 1123 102 102 LYS CD C 28.871 . 1 1124 102 102 LYS CE C 42.163 . 1 1125 102 102 LYS N N 116.322 . 1 1126 103 103 GLU H H 8.732 . 1 1127 103 103 GLU HA H 4.759 . 1 1128 103 103 GLU CA C 59.527 . 1 1129 103 103 GLU N N 118.218 . 1 1130 104 104 THR H H 8.358 . 1 1131 104 104 THR HA H 4.548 . 1 1132 104 104 THR HB H 4.338 . 1 1133 104 104 THR HG2 H 1.268 . 1 1134 104 104 THR C C 177.146 . 1 1135 104 104 THR CA C 62.794 . 1 1136 104 104 THR CB C 69.087 . 1 1137 104 104 THR CG2 C 22.315 . 1 1138 104 104 THR N N 121.868 . 1 1139 105 105 ALA H H 8.151 . 1 1140 105 105 ALA HA H 4.454 . 1 1141 105 105 ALA HB H 1.668 . 1 1142 105 105 ALA C C 179.185 . 1 1143 105 105 ALA CA C 55.382 . 1 1144 105 105 ALA CB C 20.259 . 1 1145 105 105 ALA N N 126.004 . 1 1146 106 106 SER H H 7.851 . 1 1147 106 106 SER HA H 3.989 . 1 1148 106 106 SER HB2 H 3.989 . 1 1149 106 106 SER HB3 H 3.989 . 1 1150 106 106 SER C C 177.248 . 1 1151 106 106 SER CA C 61.466 . 1 1152 106 106 SER CB C 61.792 . 1 1153 106 106 SER N N 110.988 . 1 1154 107 107 GLY H H 7.909 . 1 1155 107 107 GLY HA2 H 4.031 . 2 1156 107 107 GLY HA3 H 3.929 . 2 1157 107 107 GLY C C 176.259 . 1 1158 107 107 GLY CA C 46.725 . 1 1159 107 107 GLY N N 110.251 . 1 1160 108 108 ASP H H 8.095 . 1 1161 108 108 ASP HA H 4.530 . 1 1162 108 108 ASP HB2 H 2.775 . 1 1163 108 108 ASP HB3 H 2.775 . 1 1164 108 108 ASP CA C 57.256 . 1 1165 108 108 ASP CB C 40.628 . 1 1166 108 108 ASP N N 124.551 . 1 1167 109 109 VAL H H 8.245 . 1 1168 109 109 VAL HA H 3.584 . 1 1169 109 109 VAL HB H 2.210 . 1 1170 109 109 VAL HG1 H 0.973 . 2 1171 109 109 VAL HG2 H 1.027 . 2 1172 109 109 VAL CA C 67.034 . 1 1173 109 109 VAL CB C 31.919 . 1 1174 109 109 VAL CG1 C 19.338 . 1 1175 109 109 VAL CG2 C 20.624 . 1 1176 109 109 VAL N N 118.960 . 1 1177 110 110 ASP H H 8.037 . 1 1178 110 110 ASP HA H 4.755 . 1 1179 110 110 ASP HB2 H 2.741 . 1 1180 110 110 ASP HB3 H 2.741 . 1 1181 110 110 ASP C C 178.987 . 1 1182 110 110 ASP CA C 57.631 . 1 1183 110 110 ASP CB C 41.398 . 1 1184 110 110 ASP N N 119.468 . 1 1185 111 111 SER H H 8.522 . 1 1186 111 111 SER HA H 4.483 . 1 1187 111 111 SER HB2 H 3.794 . 1 1188 111 111 SER HB3 H 3.794 . 1 1189 111 111 SER C C 174.142 . 1 1190 111 111 SER CA C 61.538 . 1 1191 111 111 SER CB C 63.963 . 1 1192 111 111 SER N N 114.437 . 1 1193 112 112 PHE H H 8.327 . 1 1194 112 112 PHE HA H 4.450 . 1 1195 112 112 PHE HB2 H 2.810 . 1 1196 112 112 PHE HB3 H 2.810 . 1 1197 112 112 PHE HD1 H 6.320 . 1 1198 112 112 PHE HD2 H 6.320 . 1 1199 112 112 PHE HE1 H 6.849 . 1 1200 112 112 PHE HE2 H 6.849 . 1 1201 112 112 PHE HZ H 6.749 . 1 1202 112 112 PHE C C 176.597 . 1 1203 112 112 PHE CA C 54.350 . 1 1204 112 112 PHE CB C 39.638 . 1 1205 112 112 PHE N N 122.592 . 1 1206 113 113 TYR H H 8.430 . 1 1207 113 113 TYR HA H 4.120 . 1 1208 113 113 TYR HB2 H 2.949 . 2 1209 113 113 TYR HB3 H 3.080 . 2 1210 113 113 TYR HD1 H 7.235 . 1 1211 113 113 TYR HD2 H 7.235 . 1 1212 113 113 TYR HE1 H 6.550 . 1 1213 113 113 TYR HE2 H 6.550 . 1 1214 113 113 TYR C C 177.270 . 1 1215 113 113 TYR CA C 60.563 . 1 1216 113 113 TYR CB C 37.780 . 1 1217 113 113 TYR N N 116.873 . 1 1218 114 114 ASN H H 7.897 . 1 1219 114 114 ASN HA H 4.708 . 1 1220 114 114 ASN HB2 H 2.853 . 1 1221 114 114 ASN HB3 H 2.853 . 1 1222 114 114 ASN C C 175.895 . 1 1223 114 114 ASN CA C 54.633 . 1 1224 114 114 ASN CB C 39.116 . 1 1225 114 114 ASN N N 116.353 . 1 1226 115 115 PHE H H 7.448 . 1 1227 115 115 PHE HA H 4.420 . 1 1228 115 115 PHE HB2 H 2.924 . 2 1229 115 115 PHE HB3 H 3.076 . 2 1230 115 115 PHE HD1 H 7.011 . 1 1231 115 115 PHE HD2 H 7.011 . 1 1232 115 115 PHE HE1 H 7.084 . 1 1233 115 115 PHE HE2 H 7.084 . 1 1234 115 115 PHE HZ H 7.084 . 1 1235 115 115 PHE C C 175.906 . 1 1236 115 115 PHE CA C 58.610 . 1 1237 115 115 PHE CB C 38.988 . 1 1238 115 115 PHE N N 119.020 . 1 1239 116 116 ALA H H 8.043 . 1 1240 116 116 ALA HA H 3.863 . 1 1241 116 116 ALA HB H 1.086 . 1 1242 116 116 ALA C C 177.343 . 1 1243 116 116 ALA CA C 53.248 . 1 1244 116 116 ALA CB C 19.003 . 1 1245 116 116 ALA N N 123.666 . 1 1246 117 117 ASP H H 7.980 . 1 1247 117 117 ASP HA H 4.443 . 1 1248 117 117 ASP HB2 H 2.726 . 2 1249 117 117 ASP HB3 H 2.562 . 2 1250 117 117 ASP C C 176.977 . 1 1251 117 117 ASP CA C 55.121 . 1 1252 117 117 ASP CB C 40.696 . 1 1253 117 117 ASP N N 118.855 . 1 1254 118 118 ILE H H 7.882 . 1 1255 118 118 ILE HA H 3.970 . 1 1256 118 118 ILE HB H 1.778 . 1 1257 118 118 ILE HG12 H 1.413 . 1 1258 118 118 ILE HG13 H 1.413 . 1 1259 118 118 ILE HG2 H 0.793 . 1 1260 118 118 ILE HD1 H 0.709 . 1 1261 118 118 ILE C C 177.105 . 1 1262 118 118 ILE CA C 62.524 . 1 1263 118 118 ILE CB C 38.273 . 1 1264 118 118 ILE CG1 C 27.905 . 2 1265 118 118 ILE CG2 C 17.412 . 1 1266 118 118 ILE CD1 C 13.310 . 1 1267 118 118 ILE N N 120.459 . 1 1268 119 119 GLN H H 8.206 . 1 1269 119 119 GLN HA H 4.141 . 1 1270 119 119 GLN HB2 H 2.050 . 1 1271 119 119 GLN HB3 H 2.050 . 1 1272 119 119 GLN HG2 H 2.234 . 1 1273 119 119 GLN HG3 H 2.234 . 1 1274 119 119 GLN HE21 H 6.905 . 2 1275 119 119 GLN HE22 H 7.499 . 2 1276 119 119 GLN C C 176.448 . 1 1277 119 119 GLN CA C 56.636 . 1 1278 119 119 GLN CB C 28.775 . 1 1279 119 119 GLN CG C 33.947 . 1 1280 119 119 GLN CD C 180.285 . 1 1281 119 119 GLN N N 122.022 . 1 1282 119 119 GLN NE2 N 112.919 . 1 1283 120 120 MET H H 8.122 . 1 1284 120 120 MET HA H 4.495 . 1 1285 120 120 MET HB2 H 2.112 . 1 1286 120 120 MET HB3 H 2.112 . 1 1287 120 120 MET HG2 H 2.598 . 2 1288 120 120 MET HG3 H 2.540 . 2 1289 120 120 MET C C 176.741 . 1 1290 120 120 MET CA C 55.591 . 1 1291 120 120 MET CB C 32.746 . 1 1292 120 120 MET CG C 32.224 . 1 1293 120 120 MET N N 119.173 . 1 1294 121 121 GLY H H 8.183 . 1 1295 121 121 GLY HA2 H 3.926 . 1 1296 121 121 GLY HA3 H 3.926 . 1 1297 121 121 GLY C C 174.282 . 1 1298 121 121 GLY CA C 45.595 . 1 1299 121 121 GLY N N 108.966 . 1 1300 122 122 ILE H H 7.852 . 1 1301 122 122 ILE HA H 4.022 . 1 1302 122 122 ILE HB H 1.705 . 1 1303 122 122 ILE HG12 H 1.204 . 1 1304 122 122 ILE HG13 H 1.017 . 1 1305 122 122 ILE HG2 H 0.771 . 1 1306 122 122 ILE HD1 H 0.677 . 1 1307 122 122 ILE C C 175.966 . 1 1308 122 122 ILE CA C 61.468 . 1 1309 122 122 ILE CB C 38.502 . 1 1310 122 122 ILE CG1 C 26.707 . 2 1311 122 122 ILE CG2 C 17.074 . 1 1312 122 122 ILE CD1 C 13.159 . 1 1313 122 122 ILE N N 119.319 . 1 1314 123 123 HIS H H 8.305 . 1 1315 123 123 HIS HA H 4.600 . 1 1316 123 123 HIS HB2 H 3.143 . 1 1317 123 123 HIS HB3 H 3.143 . 1 1318 123 123 HIS HD2 H 7.091 . 3 1319 123 123 HIS HE1 H 8.145 . 3 1320 123 123 HIS C C 174.056 . 1 1321 123 123 HIS CA C 55.717 . 1 1322 123 123 HIS CB C 30.178 . 1 1323 123 123 HIS N N 122.105 . 1 1324 124 124 HIS H H 8.157 . 1 1325 124 124 HIS HA H 4.421 . 1 1326 124 124 HIS HB2 H 3.055 . 2 1327 124 124 HIS HB3 H 3.182 . 2 1328 124 124 HIS HD2 H 7.091 . 3 1329 124 124 HIS HE1 H 8.145 . 3 1330 124 124 HIS C C 179.246 . 1 1331 124 124 HIS CA C 57.245 . 1 1332 124 124 HIS CB C 30.168 . 1 1333 124 124 HIS N N 125.339 . 1 stop_ save_