data_7248 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Chemical Shift Assignments for Mesd12-155 ; _BMRB_accession_number 7248 _BMRB_flat_file_name bmr7248.str _Entry_type new _Submission_date 2006-08-02 _Accession_date 2006-08-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Mesoderm development (MESD) protein is a 195-residue protein that serves as a specialized molecular chaperone to promote the proper folding of the six-bladed ??-propeller/EGF modules of the LDL receptor family members, and Mesd(12-155) is the most conserved region of Mesd protein.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Jianglei . . 2 Wang Jianjun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 808 "13C chemical shifts" 564 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'complete entry citation' 2007-06-26 update BMRB 'update entry citation' 2006-10-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A complete NMR spectral assignment of the conserved region of the MESD protein, MESD(12-155) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636811 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Jianglei . . 2 Bu Guojun . . 3 Wang Jianjun . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3 _Page_last 5 _Year 2007 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full . _Citation_title 'Coaxing the LDL receptor family into the fold' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12581519 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Herz J. . . 2 Marschang P. . . stop_ _Journal_abbreviation Cell _Journal_name_full . _Journal_volume 112 _Journal_issue 3 _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 289 _Page_last 292 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Mesd(12-155) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Mesd(12-155) $mesd12-155 stop_ _System_molecular_weight 16670 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 Mesd(12-155) stop_ loop_ _Biological_function chaperon stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mesd12-155 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common mesd12-155 _Molecular_mass 16670 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; RKKKDIRDYNDADMARLLEQ WEKDDDIEEGDLPEHKRPSA PIDFSKLDPGKPESILKMTK KGKTLMMFVTVSGNPTEKET EEITSLWQGSLFNANYDVQR FIVGSDRAIFMLRDGSYAWE IKDFLVSQDRCAEVTLEGQM YPGKG ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 LYS 3 LYS 4 LYS 5 ASP 6 ILE 7 ARG 8 ASP 9 TYR 10 ASN 11 ASP 12 ALA 13 ASP 14 MET 15 ALA 16 ARG 17 LEU 18 LEU 19 GLU 20 GLN 21 TRP 22 GLU 23 LYS 24 ASP 25 ASP 26 ASP 27 ILE 28 GLU 29 GLU 30 GLY 31 ASP 32 LEU 33 PRO 34 GLU 35 HIS 36 LYS 37 ARG 38 PRO 39 SER 40 ALA 41 PRO 42 ILE 43 ASP 44 PHE 45 SER 46 LYS 47 LEU 48 ASP 49 PRO 50 GLY 51 LYS 52 PRO 53 GLU 54 SER 55 ILE 56 LEU 57 LYS 58 MET 59 THR 60 LYS 61 LYS 62 GLY 63 LYS 64 THR 65 LEU 66 MET 67 MET 68 PHE 69 VAL 70 THR 71 VAL 72 SER 73 GLY 74 ASN 75 PRO 76 THR 77 GLU 78 LYS 79 GLU 80 THR 81 GLU 82 GLU 83 ILE 84 THR 85 SER 86 LEU 87 TRP 88 GLN 89 GLY 90 SER 91 LEU 92 PHE 93 ASN 94 ALA 95 ASN 96 TYR 97 ASP 98 VAL 99 GLN 100 ARG 101 PHE 102 ILE 103 VAL 104 GLY 105 SER 106 ASP 107 ARG 108 ALA 109 ILE 110 PHE 111 MET 112 LEU 113 ARG 114 ASP 115 GLY 116 SER 117 TYR 118 ALA 119 TRP 120 GLU 121 ILE 122 LYS 123 ASP 124 PHE 125 LEU 126 VAL 127 SER 128 GLN 129 ASP 130 ARG 131 CYS 132 ALA 133 GLU 134 VAL 135 THR 136 LEU 137 GLU 138 GLY 139 GLN 140 MET 141 TYR 142 PRO 143 GLY 144 LYS 145 GLY 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 BMRB 11076 "MESD polymer chain" 96.55 141 100.00 100.00 5.34e-98 BMRB 16213 MESD 100.00 195 100.00 100.00 9.31e-102 PDB 2I9S "The Solution Structure Of The Core Of Mesoderm Development (Mesd)" 66.21 97 100.00 100.00 2.03e-63 PDB 2KGL "Nmr Solution Structure Of Mesd" 100.00 195 100.00 100.00 9.31e-102 PDB 2KMI "Mesd(12-155), The Core Structural Domain Of Mesd That Is Essential For Proper Folding Of Lrp56" 100.00 145 100.00 100.00 8.56e-102 PDB 2RQK "Nmr Solution Structure Of Mesoderm Development (Mesd) - Closed Conformation" 96.55 141 100.00 100.00 5.34e-98 PDB 2RQM "Nmr Solution Structure Of Mesoderm Development (Mesd) - Open Conformation" 96.55 141 100.00 100.00 5.34e-98 PDB 3OFH "Structured Domain Of Mus Musculus Mesd" 59.31 89 100.00 100.00 7.06e-56 DBJ BAB25865 "unnamed protein product [Mus musculus]" 100.00 189 100.00 100.00 3.74e-101 DBJ BAC27617 "unnamed protein product [Mus musculus]" 100.00 224 100.00 100.00 3.83e-101 DBJ BAC36471 "unnamed protein product [Mus musculus]" 100.00 224 100.00 100.00 5.20e-101 DBJ BAC36476 "unnamed protein product [Mus musculus]" 100.00 237 100.00 100.00 6.97e-101 GB AAG33621 "MESDC2 [Mus musculus]" 100.00 224 100.00 100.00 5.20e-101 GB AAH14742 "Mesdc2 protein [Mus musculus]" 91.03 171 100.00 100.00 6.33e-92 GB AAH85892 "Mesoderm development candidate 2 [Rattus norvegicus]" 100.00 224 98.62 100.00 2.73e-100 GB EDL06865 "mesoderm development candiate 2, isoform CRA_a [Mus musculus]" 60.69 106 100.00 100.00 1.05e-57 GB EDL06866 "mesoderm development candiate 2, isoform CRA_b [Mus musculus]" 100.00 227 100.00 100.00 3.09e-101 REF NP_001008346 "LDLR chaperone MESD precursor [Rattus norvegicus]" 100.00 224 98.62 100.00 2.73e-100 REF NP_075892 "LDLR chaperone MESD precursor [Mus musculus]" 100.00 224 100.00 100.00 5.20e-101 REF XP_003511746 "PREDICTED: LDLR chaperone MESD [Cricetulus griseus]" 100.00 226 97.24 100.00 4.51e-99 REF XP_005088080 "PREDICTED: LDLR chaperone MESD-like [Mesocricetus auratus]" 100.00 226 97.24 100.00 2.45e-99 REF XP_006885181 "PREDICTED: LDLR chaperone MESD [Elephantulus edwardii]" 100.00 229 97.24 100.00 1.18e-99 SP Q5U2R7 "RecName: Full=LDLR chaperone MESD; AltName: Full=Mesoderm development candidate 2; AltName: Full=Mesoderm development protein; " 100.00 224 98.62 100.00 2.73e-100 SP Q9ERE7 "RecName: Full=LDLR chaperone MESD; AltName: Full=Mesoderm development candidate 2; AltName: Full=Mesoderm development protein; " 100.00 224 100.00 100.00 5.20e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mesd12-155 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $mesd12-155 '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 $mesd12-155 1.5 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_H(CC-tocsy)-NNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name H(CC-tocsy)-NNH _Sample_label $sample_1 save_ save_C(CC-tocsy)-NNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name C(CC-tocsy)-NNH _Sample_label $sample_1 save_ save_15N-edited_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HSQC' _Sample_label $sample_1 save_ save_1H-15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(CC-tocsy)-NNH _Saveframe_category NMR_applied_experiment _Experiment_name H(CC-tocsy)-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_C(CC-tocsy)-NNH _Saveframe_category NMR_applied_experiment _Experiment_name C(CC-tocsy)-NNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N-edited_NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY-HSQC' _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 7 0.2 pH temperature 303 0 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 H 1 'methyl protons' ppm 0 direct internal . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_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 Mesd(12-155) _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 ARG HA H 4.352 0.03 1 2 1 1 ARG HB2 H 1.767 0.03 1 3 1 1 ARG HB3 H 1.767 0.03 1 4 1 1 ARG HG2 H 1.612 0.03 1 5 1 1 ARG HG3 H 1.612 0.03 1 6 1 1 ARG HD2 H 3.143 0.03 1 7 1 1 ARG HD3 H 3.143 0.03 1 8 1 1 ARG HE H 8.013 0.03 1 9 1 1 ARG C C 174.650 0.5 1 10 1 1 ARG CA C 56.240 0.5 1 11 1 1 ARG CB C 31.040 0.5 1 12 1 1 ARG CG C 27.182 0.5 1 13 1 1 ARG CD C 43.385 0.5 1 14 2 2 LYS H H 8.500 0.03 1 15 2 2 LYS HA H 4.238 0.03 1 16 2 2 LYS HB2 H 1.761 0.03 1 17 2 2 LYS HB3 H 1.761 0.03 1 18 2 2 LYS HG2 H 1.378 0.03 1 19 2 2 LYS HG3 H 1.378 0.03 1 20 2 2 LYS HD2 H 1.648 0.03 1 21 2 2 LYS HD3 H 1.648 0.03 1 22 2 2 LYS HE2 H 2.964 0.03 1 23 2 2 LYS HE3 H 2.964 0.03 1 24 2 2 LYS C C 174.647 0.5 1 25 2 2 LYS CA C 56.220 0.5 1 26 2 2 LYS CB C 33.250 0.5 1 27 2 2 LYS CG C 24.853 0.5 1 28 2 2 LYS CD C 29.316 0.5 1 29 2 2 LYS CE C 41.929 0.5 1 30 2 2 LYS N N 123.600 0.5 1 31 3 3 LYS H H 8.360 0.03 1 32 3 3 LYS HA H 4.619 0.03 1 33 3 3 LYS HB2 H 1.803 0.03 1 34 3 3 LYS HB3 H 1.803 0.03 1 35 3 3 LYS HG2 H 1.420 0.03 1 36 3 3 LYS HG3 H 1.420 0.03 1 37 3 3 LYS HD2 H 1.667 0.03 1 38 3 3 LYS HD3 H 1.667 0.03 1 39 3 3 LYS HE2 H 2.982 0.03 1 40 3 3 LYS HE3 H 2.982 0.03 1 41 3 3 LYS C C 175.187 0.5 1 42 3 3 LYS CA C 56.610 0.5 1 43 3 3 LYS CB C 33.430 0.5 1 44 3 3 LYS CG C 24.853 0.5 1 45 3 3 LYS CD C 29.122 0.5 1 46 3 3 LYS CE C 41.141 0.5 1 47 3 3 LYS N N 122.690 0.5 1 48 4 4 LYS H H 8.370 0.03 1 49 4 4 LYS HA H 4.272 0.03 1 50 4 4 LYS HB2 H 1.761 0.03 1 51 4 4 LYS HB3 H 1.761 0.03 1 52 4 4 LYS HG2 H 1.378 0.03 1 53 4 4 LYS HG3 H 1.378 0.03 1 54 4 4 LYS HD2 H 1.648 0.03 1 55 4 4 LYS HD3 H 1.648 0.03 1 56 4 4 LYS HE2 H 2.959 0.03 1 57 4 4 LYS HE3 H 2.959 0.03 1 58 4 4 LYS C C 177.099 0.5 1 59 4 4 LYS CA C 56.440 0.5 1 60 4 4 LYS CB C 33.390 0.5 1 61 4 4 LYS CG C 24.659 0.5 1 62 4 4 LYS CD C 29.219 0.5 1 63 4 4 LYS CE C 41.832 0.5 1 64 4 4 LYS N N 123.250 0.5 1 65 5 5 ASP H H 8.350 0.03 1 66 5 5 ASP HA H 4.621 0.03 1 67 5 5 ASP HB2 H 2.565 0.03 2 68 5 5 ASP HB3 H 2.724 0.03 2 69 5 5 ASP C C 175.952 0.5 1 70 5 5 ASP CA C 54.430 0.5 1 71 5 5 ASP CB C 41.490 0.5 1 72 5 5 ASP N N 122.410 0.5 1 73 6 6 ILE H H 8.060 0.03 1 74 6 6 ILE HA H 4.165 0.03 1 75 6 6 ILE HB H 1.863 0.03 1 76 6 6 ILE HG12 H 1.449 0.03 1 77 6 6 ILE HG13 H 1.216 0.03 1 78 6 6 ILE HG2 H 0.888 0.03 1 79 6 6 ILE HD1 H 0.888 0.03 1 80 6 6 ILE C C 174.750 0.5 1 81 6 6 ILE CA C 61.700 0.5 1 82 6 6 ILE CB C 38.550 0.5 1 83 6 6 ILE CG1 C 27.338 0.5 1 84 6 6 ILE CG2 C 17.715 0.5 1 85 6 6 ILE CD1 C 13.404 0.5 1 86 6 6 ILE N N 121.430 0.5 1 87 7 7 ARG H H 8.350 0.03 1 88 7 7 ARG HA H 4.218 0.03 1 89 7 7 ARG HB2 H 1.718 0.03 1 90 7 7 ARG HB3 H 1.718 0.03 1 91 7 7 ARG HG2 H 1.571 0.03 2 92 7 7 ARG HG3 H 1.553 0.03 2 93 7 7 ARG HD2 H 3.120 0.03 1 94 7 7 ARG HD3 H 3.120 0.03 1 95 7 7 ARG C C 174.623 0.5 1 96 7 7 ARG CA C 55.960 0.5 1 97 7 7 ARG CB C 30.840 0.5 1 98 7 7 ARG CG C 26.997 0.5 1 99 7 7 ARG CD C 43.191 0.5 1 100 7 7 ARG N N 124.380 0.5 1 101 8 8 ASP H H 8.140 0.03 1 102 8 8 ASP HA H 4.629 0.03 1 103 8 8 ASP HB2 H 2.679 0.03 2 104 8 8 ASP HB3 H 2.651 0.03 2 105 8 8 ASP C C 176.607 0.5 1 106 8 8 ASP CA C 54.350 0.5 1 107 8 8 ASP CB C 41.360 0.5 1 108 8 8 ASP N N 119.980 0.5 1 109 9 9 TYR H H 7.930 0.03 1 110 9 9 TYR HA H 4.496 0.03 1 111 9 9 TYR HB2 H 2.928 0.03 2 112 9 9 TYR HB3 H 2.970 0.03 2 113 9 9 TYR C C 174.329 0.5 1 114 9 9 TYR CA C 58.070 0.5 1 115 9 9 TYR CB C 39.050 0.5 1 116 9 9 TYR N N 120.360 0.5 1 117 10 10 ASN H H 8.500 0.03 1 118 10 10 ASN HA H 4.634 0.03 1 119 10 10 ASN HB2 H 2.742 0.03 2 120 10 10 ASN HB3 H 2.709 0.03 2 121 10 10 ASN C C 172.320 0.5 1 122 10 10 ASN CA C 53.140 0.5 1 123 10 10 ASN CB C 39.240 0.5 1 124 10 10 ASN N N 120.160 0.5 1 125 11 11 ASP H H 8.220 0.03 1 126 11 11 ASP HA H 4.417 0.03 1 127 11 11 ASP HB2 H 2.631 0.03 1 128 11 11 ASP HB3 H 2.631 0.03 1 129 11 11 ASP C C 175.571 0.5 1 130 11 11 ASP CA C 54.640 0.5 1 131 11 11 ASP CB C 41.540 0.5 1 132 11 11 ASP N N 120.510 0.5 1 133 12 12 ALA H H 8.230 0.03 1 134 12 12 ALA HA H 4.190 0.03 1 135 12 12 ALA HB H 1.390 0.03 1 136 12 12 ALA C C 177.687 0.5 1 137 12 12 ALA CA C 54.220 0.5 1 138 12 12 ALA CB C 18.840 0.5 1 139 12 12 ALA N N 123.850 0.5 1 140 13 13 ASP H H 8.190 0.03 1 141 13 13 ASP HA H 4.484 0.03 1 142 13 13 ASP HB2 H 2.683 0.03 1 143 13 13 ASP HB3 H 2.683 0.03 1 144 13 13 ASP C C 174.623 0.5 1 145 13 13 ASP CA C 55.650 0.5 1 146 13 13 ASP CB C 41.020 0.5 1 147 13 13 ASP N N 118.570 0.5 1 148 14 14 MET H H 8.130 0.03 1 149 14 14 MET HA H 4.237 0.03 1 150 14 14 MET HB2 H 1.710 0.03 1 151 14 14 MET HB3 H 1.710 0.03 1 152 14 14 MET HG2 H 2.633 0.03 1 153 14 14 MET HG3 H 2.633 0.03 1 154 14 14 MET HE H 1.210 0.03 1 155 14 14 MET C C 175.852 0.5 1 156 14 14 MET CA C 56.930 0.5 1 157 14 14 MET CB C 32.200 0.5 1 158 14 14 MET CG C 33.100 0.5 1 159 14 14 MET N N 119.990 0.5 1 160 15 15 ALA H H 8.080 0.03 1 161 15 15 ALA HA H 4.053 0.03 1 162 15 15 ALA HB H 1.424 0.03 1 163 15 15 ALA C C 175.229 0.5 1 164 15 15 ALA CA C 54.420 0.5 1 165 15 15 ALA CB C 18.550 0.5 1 166 15 15 ALA N N 121.940 0.5 1 167 16 16 ARG H H 7.730 0.03 1 168 16 16 ARG HA H 4.131 0.03 1 169 16 16 ARG HB2 H 1.851 0.03 1 170 16 16 ARG HB3 H 1.851 0.03 1 171 16 16 ARG HG2 H 1.667 0.03 1 172 16 16 ARG HG3 H 1.667 0.03 1 173 16 16 ARG HD2 H 3.200 0.03 1 174 16 16 ARG HD3 H 3.200 0.03 1 175 16 16 ARG C C 173.499 0.5 1 176 16 16 ARG CA C 57.830 0.5 1 177 16 16 ARG CB C 30.360 0.5 1 178 16 16 ARG CG C 27.473 0.5 1 179 16 16 ARG CD C 43.191 0.5 1 180 16 16 ARG N N 117.510 0.5 1 181 17 17 LEU H H 7.760 0.03 1 182 17 17 LEU HA H 4.083 0.03 1 183 17 17 LEU HB2 H 1.606 0.03 1 184 17 17 LEU HB3 H 1.606 0.03 1 185 17 17 LEU HG H 1.606 0.03 1 186 17 17 LEU HD1 H 0.756 0.03 2 187 17 17 LEU HD2 H 0.756 0.03 2 188 17 17 LEU C C 176.812 0.5 1 189 17 17 LEU CA C 56.920 0.5 1 190 17 17 LEU CB C 41.840 0.5 1 191 17 17 LEU CG C 26.900 0.5 1 192 17 17 LEU CD1 C 24.853 0.5 1 193 17 17 LEU CD2 C 24.271 0.5 1 194 17 17 LEU N N 121.110 0.5 1 195 18 18 LEU H H 7.910 0.03 1 196 18 18 LEU HA H 4.243 0.03 1 197 18 18 LEU HB2 H 1.396 0.03 2 198 18 18 LEU HB3 H 1.599 0.03 2 199 18 18 LEU HG H 1.396 0.03 1 200 18 18 LEU HD1 H 0.774 0.03 2 201 18 18 LEU HD2 H 0.774 0.03 2 202 18 18 LEU C C 177.187 0.5 1 203 18 18 LEU CA C 56.740 0.5 1 204 18 18 LEU CB C 41.900 0.5 1 205 18 18 LEU CG C 27.085 0.5 1 206 18 18 LEU CD1 C 25.338 0.5 1 207 18 18 LEU CD2 C 23.689 0.5 1 208 18 18 LEU N N 119.080 0.5 1 209 19 19 GLU H H 7.890 0.03 1 210 19 19 GLU HA H 4.125 0.03 1 211 19 19 GLU HB2 H 1.962 0.03 1 212 19 19 GLU HB3 H 1.962 0.03 1 213 19 19 GLU HG2 H 2.339 0.03 2 214 19 19 GLU HG3 H 2.209 0.03 2 215 19 19 GLU C C 176.375 0.5 1 216 19 19 GLU CA C 57.960 0.5 1 217 19 19 GLU CB C 29.960 0.5 1 218 19 19 GLU CG C 36.302 0.5 1 219 19 19 GLU N N 118.820 0.5 1 220 20 20 GLN H H 7.950 0.03 1 221 20 20 GLN HA H 4.084 0.03 1 222 20 20 GLN HB2 H 2.071 0.03 1 223 20 20 GLN HB3 H 2.071 0.03 1 224 20 20 GLN HG2 H 2.307 0.03 1 225 20 20 GLN HG3 H 2.307 0.03 1 226 20 20 GLN HE21 H 7.163 0.03 1 227 20 20 GLN HE22 H 7.163 0.03 1 228 20 20 GLN C C 174.937 0.5 1 229 20 20 GLN CA C 57.070 0.5 1 230 20 20 GLN CB C 28.990 0.5 1 231 20 20 GLN CG C 33.779 0.5 1 232 20 20 GLN N N 118.640 0.5 1 233 21 21 TRP H H 7.990 0.03 1 234 21 21 TRP HA H 4.458 0.03 1 235 21 21 TRP HB2 H 3.298 0.03 1 236 21 21 TRP HB3 H 3.298 0.03 1 237 21 21 TRP HE1 H 10.265 0.03 1 238 21 21 TRP C C 175.495 0.5 1 239 21 21 TRP CA C 57.600 0.5 1 240 21 21 TRP CB C 29.540 0.5 1 241 21 21 TRP N N 120.730 0.5 1 242 22 22 GLU H H 8.090 0.03 1 243 22 22 GLU HA H 4.199 0.03 1 244 22 22 GLU HB2 H 1.997 0.03 1 245 22 22 GLU HB3 H 1.997 0.03 1 246 22 22 GLU HG2 H 2.168 0.03 1 247 22 22 GLU HG3 H 2.168 0.03 1 248 22 22 GLU C C 175.111 0.5 1 249 22 22 GLU CA C 57.130 0.5 1 250 22 22 GLU CB C 30.260 0.5 1 251 22 22 GLU CG C 36.399 0.5 1 252 22 22 GLU N N 120.500 0.5 1 253 23 23 LYS H H 7.880 0.03 1 254 23 23 LYS HA H 4.579 0.03 1 255 23 23 LYS HB2 H 1.702 0.03 1 256 23 23 LYS HB3 H 1.702 0.03 1 257 23 23 LYS HG2 H 1.408 0.03 1 258 23 23 LYS HG3 H 1.408 0.03 1 259 23 23 LYS HD2 H 1.667 0.03 1 260 23 23 LYS HD3 H 1.667 0.03 1 261 23 23 LYS HE2 H 2.616 0.03 1 262 23 23 LYS HE3 H 2.616 0.03 1 263 23 23 LYS C C 175.063 0.5 1 264 23 23 LYS CA C 56.590 0.5 1 265 23 23 LYS CB C 33.290 0.5 1 266 23 23 LYS CG C 24.562 0.5 1 267 23 23 LYS CD C 29.122 0.5 1 268 23 23 LYS CE C 42.317 0.5 1 269 23 23 LYS N N 120.700 0.5 1 270 24 24 ASP H H 8.270 0.03 1 271 24 24 ASP HA H 4.633 0.03 1 272 24 24 ASP HB2 H 2.719 0.03 2 273 24 24 ASP HB3 H 2.610 0.03 2 274 24 24 ASP C C 174.760 0.5 1 275 24 24 ASP CA C 54.610 0.5 1 276 24 24 ASP CB C 41.450 0.5 1 277 24 24 ASP N N 121.700 0.5 1 278 25 25 ASP H H 8.210 0.03 1 279 25 25 ASP HA H 4.581 0.03 1 280 25 25 ASP HB2 H 2.617 0.03 2 281 25 25 ASP HB3 H 2.623 0.03 2 282 25 25 ASP C C 174.686 0.5 1 283 25 25 ASP CA C 54.590 0.5 1 284 25 25 ASP CB C 41.450 0.5 1 285 25 25 ASP N N 120.510 0.5 1 286 26 26 ASP H H 8.290 0.03 1 287 26 26 ASP HA H 4.630 0.03 1 288 26 26 ASP HB2 H 2.709 0.03 2 289 26 26 ASP HB3 H 2.663 0.03 2 290 26 26 ASP C C 176.047 0.5 1 291 26 26 ASP CA C 54.430 0.5 1 292 26 26 ASP CB C 41.270 0.5 1 293 26 26 ASP N N 120.440 0.5 1 294 27 27 ILE H H 7.930 0.03 1 295 27 27 ILE HA H 4.148 0.03 1 296 27 27 ILE HB H 1.863 0.03 1 297 27 27 ILE HG12 H 1.449 0.03 1 298 27 27 ILE HG13 H 1.154 0.03 1 299 27 27 ILE HG2 H 0.890 0.03 1 300 27 27 ILE HD1 H 0.844 0.03 1 301 27 27 ILE C C 174.870 0.5 1 302 27 27 ILE CA C 61.120 0.5 1 303 27 27 ILE CB C 39.010 0.5 1 304 27 27 ILE CG1 C 27.376 0.5 1 305 27 27 ILE CG2 C 17.771 0.5 1 306 27 27 ILE CD1 C 13.267 0.5 1 307 27 27 ILE N N 120.410 0.5 1 308 28 28 GLU H H 8.460 0.03 1 309 28 28 GLU HA H 4.293 0.03 1 310 28 28 GLU HB2 H 2.027 0.03 2 311 28 28 GLU HB3 H 1.920 0.03 2 312 28 28 GLU HG2 H 2.250 0.03 1 313 28 28 GLU HG3 H 2.250 0.03 1 314 28 28 GLU C C 175.127 0.5 1 315 28 28 GLU CA C 56.370 0.5 1 316 28 28 GLU CB C 30.470 0.5 1 317 28 28 GLU CG C 36.399 0.5 1 318 28 28 GLU N N 125.210 0.5 1 319 29 29 GLU H H 8.460 0.03 1 320 29 29 GLU HA H 4.251 0.03 1 321 29 29 GLU HB2 H 1.997 0.03 1 322 29 29 GLU HB3 H 1.997 0.03 1 323 29 29 GLU HG2 H 2.245 0.03 1 324 29 29 GLU HG3 H 2.245 0.03 1 325 29 29 GLU C C 176.617 0.5 1 326 29 29 GLU CA C 57.130 0.5 1 327 29 29 GLU CB C 30.510 0.5 1 328 29 29 GLU CG C 36.302 0.5 1 329 29 29 GLU N N 122.390 0.5 1 330 30 30 GLY H H 8.380 0.03 1 331 30 30 GLY HA2 H 3.937 0.03 2 332 30 30 GLY HA3 H 3.917 0.03 2 333 30 30 GLY C C 172.315 0.5 1 334 30 30 GLY CA C 45.340 0.5 1 335 30 30 GLY N N 109.510 0.5 1 336 31 31 ASP H H 8.200 0.03 1 337 31 31 ASP HA H 4.641 0.03 1 338 31 31 ASP HB2 H 2.669 0.03 1 339 31 31 ASP HB3 H 2.669 0.03 1 340 31 31 ASP C C 175.938 0.5 1 341 31 31 ASP CA C 54.190 0.5 1 342 31 31 ASP CB C 41.490 0.5 1 343 31 31 ASP N N 120.010 0.5 1 344 32 32 LEU H H 8.130 0.03 1 345 32 32 LEU CA C 53.160 0.5 1 346 32 32 LEU CB C 41.940 0.5 1 347 32 32 LEU N N 122.980 0.5 1 348 33 33 PRO HA H 4.355 0.03 1 349 33 33 PRO HB2 H 2.289 0.03 1 350 33 33 PRO HB3 H 2.289 0.03 1 351 33 33 PRO HG2 H 1.985 0.03 2 352 33 33 PRO HG3 H 1.808 0.03 2 353 33 33 PRO HD2 H 3.818 0.03 2 354 33 33 PRO HD3 H 3.591 0.03 2 355 33 33 PRO C C 176.203 0.5 1 356 33 33 PRO CA C 63.570 0.5 1 357 33 33 PRO CB C 32.050 0.5 1 358 33 33 PRO CG C 27.570 0.5 1 359 33 33 PRO CD C 50.661 0.5 1 360 34 34 GLU H H 8.640 0.03 1 361 34 34 GLU HA H 4.052 0.03 1 362 34 34 GLU HB2 H 1.956 0.03 1 363 34 34 GLU HB3 H 1.956 0.03 1 364 34 34 GLU HG2 H 2.168 0.03 1 365 34 34 GLU HG3 H 2.168 0.03 1 366 34 34 GLU C C 175.851 0.5 1 367 34 34 GLU CA C 57.800 0.5 1 368 34 34 GLU CB C 29.920 0.5 1 369 34 34 GLU CG C 36.205 0.5 1 370 34 34 GLU N N 119.530 0.5 1 371 35 35 HIS H H 8.080 0.03 1 372 35 35 HIS HA H 4.618 0.03 1 373 35 35 HIS HB2 H 3.123 0.03 1 374 35 35 HIS HB3 H 3.123 0.03 1 375 35 35 HIS C C 174.943 0.5 1 376 35 35 HIS CA C 56.360 0.5 1 377 35 35 HIS CB C 30.510 0.5 1 378 35 35 HIS N N 118.180 0.5 1 379 36 36 LYS H H 7.941 0.03 1 380 36 36 LYS HA H 4.272 0.03 1 381 36 36 LYS HB2 H 1.767 0.03 1 382 36 36 LYS HB3 H 1.767 0.03 1 383 36 36 LYS HG2 H 1.402 0.03 1 384 36 36 LYS HG3 H 1.402 0.03 1 385 36 36 LYS HD2 H 1.673 0.03 1 386 36 36 LYS HD3 H 1.673 0.03 1 387 36 36 LYS HE2 H 2.964 0.03 1 388 36 36 LYS HE3 H 2.964 0.03 1 389 36 36 LYS C C 174.771 0.5 1 390 36 36 LYS CA C 56.110 0.5 1 391 36 36 LYS CB C 33.090 0.5 1 392 36 36 LYS CG C 24.756 0.5 1 393 36 36 LYS CD C 29.219 0.5 1 394 36 36 LYS CE C 41.444 0.5 1 395 36 36 LYS N N 121.378 0.5 1 396 37 37 ARG H H 8.400 0.03 1 397 37 37 ARG CA C 54.230 0.5 1 398 37 37 ARG CB C 30.280 0.5 1 399 37 37 ARG N N 123.710 0.5 1 400 38 38 PRO HA H 4.431 0.03 1 401 38 38 PRO HB2 H 2.286 0.03 1 402 38 38 PRO HB3 H 2.286 0.03 1 403 38 38 PRO HG2 H 1.968 0.03 1 404 38 38 PRO HG3 H 1.968 0.03 1 405 38 38 PRO HD2 H 3.795 0.03 2 406 38 38 PRO HD3 H 3.606 0.03 2 407 38 38 PRO C C 175.500 0.5 1 408 38 38 PRO CA C 63.220 0.5 1 409 38 38 PRO CB C 32.140 0.5 1 410 38 38 PRO CG C 27.473 0.5 1 411 38 38 PRO CD C 50.855 0.5 1 412 39 39 SER H H 8.380 0.03 1 413 39 39 SER HA H 4.396 0.03 1 414 39 39 SER HB2 H 3.855 0.03 2 415 39 39 SER HB3 H 3.835 0.03 2 416 39 39 SER C C 172.452 0.5 1 417 39 39 SER CA C 58.240 0.5 1 418 39 39 SER CB C 64.020 0.5 1 419 39 39 SER N N 116.340 0.5 1 420 40 40 ALA H H 8.210 0.03 1 421 40 40 ALA CA C 50.500 0.5 1 422 40 40 ALA CB C 18.620 0.5 1 423 40 40 ALA N N 126.540 0.5 1 424 41 41 PRO HA H 4.401 0.03 1 425 41 41 PRO HB2 H 2.248 0.03 1 426 41 41 PRO HB3 H 2.248 0.03 1 427 41 41 PRO HG2 H 1.988 0.03 2 428 41 41 PRO HG3 H 1.859 0.03 2 429 41 41 PRO HD2 H 3.591 0.03 2 430 41 41 PRO HD3 H 3.744 0.03 2 431 41 41 PRO C C 175.377 0.5 1 432 41 41 PRO CA C 63.080 0.5 1 433 41 41 PRO CB C 31.880 0.5 1 434 41 41 PRO CG C 27.376 0.5 1 435 41 41 PRO CD C 50.379 0.5 1 436 42 42 ILE H H 8.050 0.03 1 437 42 42 ILE HA H 3.978 0.03 1 438 42 42 ILE HB H 1.652 0.03 1 439 42 42 ILE HG12 H 1.394 0.03 1 440 42 42 ILE HG13 H 1.067 0.03 1 441 42 42 ILE HG2 H 0.787 0.03 1 442 42 42 ILE HD1 H 0.562 0.03 1 443 42 42 ILE C C 173.930 0.5 1 444 42 42 ILE CA C 61.060 0.5 1 445 42 42 ILE CB C 39.140 0.5 1 446 42 42 ILE CG1 C 27.473 0.5 1 447 42 42 ILE CG2 C 17.383 0.5 1 448 42 42 ILE CD1 C 13.170 0.5 1 449 42 42 ILE N N 120.720 0.5 1 450 43 43 ASP H H 8.160 0.03 1 451 43 43 ASP HA H 4.611 0.03 1 452 43 43 ASP HB2 H 2.687 0.03 2 453 43 43 ASP HB3 H 2.536 0.03 2 454 43 43 ASP C C 174.983 0.5 1 455 43 43 ASP CA C 53.370 0.5 1 456 43 43 ASP CB C 41.090 0.5 1 457 43 43 ASP N N 123.770 0.5 1 458 44 44 PHE H H 8.370 0.03 1 459 44 44 PHE HA H 4.432 0.03 1 460 44 44 PHE HB2 H 3.224 0.03 2 461 44 44 PHE HB3 H 2.976 0.03 2 462 44 44 PHE C C 175.313 0.5 1 463 44 44 PHE CA C 59.100 0.5 1 464 44 44 PHE CB C 38.920 0.5 1 465 44 44 PHE N N 123.250 0.5 1 466 45 45 SER H H 8.410 0.03 1 467 45 45 SER HA H 4.338 0.03 1 468 45 45 SER HB2 H 3.852 0.03 2 469 45 45 SER HB3 H 3.898 0.03 2 470 45 45 SER C C 173.387 0.5 1 471 45 45 SER CA C 60.080 0.5 1 472 45 45 SER CB C 63.560 0.5 1 473 45 45 SER N N 116.300 0.5 1 474 46 46 LYS H H 7.860 0.03 1 475 46 46 LYS HA H 4.335 0.03 1 476 46 46 LYS HB2 H 1.908 0.03 1 477 46 46 LYS HB3 H 1.908 0.03 1 478 46 46 LYS HG2 H 1.373 0.03 1 479 46 46 LYS HG3 H 1.373 0.03 1 480 46 46 LYS HD2 H 1.655 0.03 1 481 46 46 LYS HD3 H 1.655 0.03 1 482 46 46 LYS HE2 H 2.973 0.03 1 483 46 46 LYS HE3 H 2.973 0.03 1 484 46 46 LYS C C 175.084 0.5 1 485 46 46 LYS CA C 56.280 0.5 1 486 46 46 LYS CB C 32.890 0.5 1 487 46 46 LYS CG C 24.853 0.5 1 488 46 46 LYS CD C 29.025 0.5 1 489 46 46 LYS CE C 42.026 0.5 1 490 46 46 LYS N N 121.750 0.5 1 491 47 47 LEU H H 7.690 0.03 1 492 47 47 LEU HA H 4.286 0.03 1 493 47 47 LEU HB2 H 1.569 0.03 1 494 47 47 LEU HB3 H 1.569 0.03 1 495 47 47 LEU HG H 1.580 0.03 1 496 47 47 LEU HD1 H 0.840 0.03 2 497 47 47 LEU HD2 H 0.840 0.03 2 498 47 47 LEU C C 175.222 0.5 1 499 47 47 LEU CA C 54.890 0.5 1 500 47 47 LEU CB C 42.500 0.5 1 501 47 47 LEU CG C 26.988 0.5 1 502 47 47 LEU CD1 C 25.338 0.5 1 503 47 47 LEU CD2 C 23.786 0.5 1 504 47 47 LEU N N 121.600 0.5 1 505 48 48 ASP H H 8.240 0.03 1 506 48 48 ASP CA C 51.980 0.5 1 507 48 48 ASP CB C 41.670 0.5 1 508 48 48 ASP N N 122.770 0.5 1 509 49 49 PRO HA H 4.339 0.03 1 510 49 49 PRO HB2 H 2.225 0.03 1 511 49 49 PRO HB3 H 2.225 0.03 1 512 49 49 PRO HG2 H 1.968 0.03 1 513 49 49 PRO HG3 H 1.968 0.03 1 514 49 49 PRO HD2 H 3.827 0.03 1 515 49 49 PRO HD3 H 3.827 0.03 1 516 49 49 PRO C C 175.988 0.5 1 517 49 49 PRO CA C 63.810 0.5 1 518 49 49 PRO CB C 32.100 0.5 1 519 49 49 PRO CG C 27.085 0.5 1 520 49 49 PRO CD C 50.855 0.5 1 521 50 50 GLY H H 8.510 0.03 1 522 50 50 GLY HA2 H 4.044 0.03 2 523 50 50 GLY HA3 H 3.827 0.03 2 524 50 50 GLY C C 172.698 0.5 1 525 50 50 GLY CA C 45.200 0.5 1 526 50 50 GLY N N 107.520 0.5 1 527 51 51 LYS H H 7.810 0.03 1 528 51 51 LYS CA C 54.090 0.5 1 529 51 51 LYS CB C 32.600 0.5 1 530 51 51 LYS N N 121.130 0.5 1 531 52 52 PRO HA H 4.241 0.03 1 532 52 52 PRO HB2 H 2.230 0.03 1 533 52 52 PRO HB3 H 2.230 0.03 1 534 52 52 PRO HG2 H 1.997 0.03 2 535 52 52 PRO HG3 H 1.816 0.03 2 536 52 52 PRO HD2 H 3.721 0.03 1 537 52 52 PRO HD3 H 3.721 0.03 1 538 52 52 PRO C C 176.228 0.5 1 539 52 52 PRO CA C 64.490 0.5 1 540 52 52 PRO CB C 31.790 0.5 1 541 52 52 PRO CG C 27.570 0.5 1 542 52 52 PRO CD C 50.661 0.5 1 543 53 53 GLU H H 8.890 0.03 1 544 53 53 GLU HA H 3.882 0.03 1 545 53 53 GLU HB2 H 2.085 0.03 1 546 53 53 GLU HB3 H 2.085 0.03 1 547 53 53 GLU HG2 H 2.605 0.03 2 548 53 53 GLU HG3 H 2.701 0.03 2 549 53 53 GLU C C 175.938 0.5 1 550 53 53 GLU CA C 58.270 0.5 1 551 53 53 GLU CB C 29.270 0.5 1 552 53 53 GLU CG C 36.108 0.5 1 553 53 53 GLU N N 119.160 0.5 1 554 54 54 SER H H 7.980 0.03 1 555 54 54 SER HA H 4.309 0.03 1 556 54 54 SER HB2 H 3.898 0.03 1 557 54 54 SER HB3 H 3.898 0.03 1 558 54 54 SER C C 176.620 0.5 1 559 54 54 SER CA C 59.750 0.5 1 560 54 54 SER CB C 63.350 0.5 1 561 54 54 SER N N 115.660 0.5 1 562 55 55 ILE H H 7.750 0.03 1 563 55 55 ILE HA H 3.951 0.03 1 564 55 55 ILE HB H 1.999 0.03 1 565 55 55 ILE HG12 H 1.435 0.03 1 566 55 55 ILE HG13 H 1.078 0.03 1 567 55 55 ILE HG2 H 0.826 0.03 1 568 55 55 ILE HD1 H 0.826 0.03 1 569 55 55 ILE C C 176.295 0.5 1 570 55 55 ILE CA C 62.620 0.5 1 571 55 55 ILE CB C 38.390 0.5 1 572 55 55 ILE CG1 C 28.152 0.5 1 573 55 55 ILE CG2 C 17.577 0.5 1 574 55 55 ILE CD1 C 13.170 0.5 1 575 55 55 ILE N N 121.510 0.5 1 576 56 56 LEU H H 7.940 0.03 1 577 56 56 LEU HA H 4.099 0.03 1 578 56 56 LEU HB2 H 1.636 0.03 1 579 56 56 LEU HB3 H 1.636 0.03 1 580 56 56 LEU HG H 1.487 0.03 1 581 56 56 LEU HD1 H 0.861 0.03 2 582 56 56 LEU HD2 H 0.861 0.03 2 583 56 56 LEU C C 176.750 0.5 1 584 56 56 LEU CA C 56.780 0.5 1 585 56 56 LEU CB C 41.920 0.5 1 586 56 56 LEU CG C 26.891 0.5 1 587 56 56 LEU CD1 C 25.435 0.5 1 588 56 56 LEU CD2 C 23.786 0.5 1 589 56 56 LEU N N 122.800 0.5 1 590 57 57 LYS H H 7.840 0.03 1 591 57 57 LYS HA H 4.065 0.03 1 592 57 57 LYS HB2 H 1.749 0.03 1 593 57 57 LYS HB3 H 1.749 0.03 1 594 57 57 LYS HG2 H 1.354 0.03 1 595 57 57 LYS HG3 H 1.354 0.03 1 596 57 57 LYS HD2 H 1.572 0.03 1 597 57 57 LYS HD3 H 1.572 0.03 1 598 57 57 LYS HE2 H 2.940 0.03 1 599 57 57 LYS HE3 H 2.940 0.03 1 600 57 57 LYS C C 175.875 0.5 1 601 57 57 LYS CA C 57.770 0.5 1 602 57 57 LYS CB C 32.700 0.5 1 603 57 57 LYS CG C 25.241 0.5 1 604 57 57 LYS CD C 29.413 0.5 1 605 57 57 LYS N N 118.920 0.5 1 606 58 58 MET H H 7.900 0.03 1 607 58 58 MET HA H 4.440 0.03 1 608 58 58 MET HB2 H 2.108 0.03 1 609 58 58 MET HB3 H 2.108 0.03 1 610 58 58 MET HG2 H 2.508 0.03 1 611 58 58 MET HG3 H 2.508 0.03 1 612 58 58 MET HE H 1.873 0.03 1 613 58 58 MET C C 176.062 0.5 1 614 58 58 MET CA C 56.400 0.5 1 615 58 58 MET CB C 33.190 0.5 1 616 58 58 MET N N 117.650 0.5 1 617 59 59 THR H H 8.050 0.03 1 618 59 59 THR HA H 4.436 0.03 1 619 59 59 THR HG2 H 1.176 0.03 1 620 59 59 THR HG1 H 4.652 0.03 1 621 59 59 THR C C 175.952 0.5 1 622 59 59 THR CA C 62.840 0.5 1 623 59 59 THR CB C 70.040 0.5 1 624 59 59 THR N N 112.350 0.5 1 625 60 60 LYS H H 8.030 0.03 1 626 60 60 LYS HA H 4.329 0.03 1 627 60 60 LYS HB2 H 1.885 0.03 1 628 60 60 LYS HB3 H 1.885 0.03 1 629 60 60 LYS HG2 H 1.383 0.03 1 630 60 60 LYS HG3 H 1.383 0.03 1 631 60 60 LYS HD2 H 1.676 0.03 1 632 60 60 LYS HD3 H 1.676 0.03 1 633 60 60 LYS HE2 H 3.300 0.03 1 634 60 60 LYS HE3 H 3.300 0.03 1 635 60 60 LYS C C 174.894 0.5 1 636 60 60 LYS CA C 55.960 0.5 1 637 60 60 LYS CB C 33.160 0.5 1 638 60 60 LYS CG C 24.729 0.5 1 639 60 60 LYS CD C 29.162 0.5 1 640 60 60 LYS CE C 44.708 0.5 1 641 60 60 LYS N N 121.730 0.5 1 642 61 61 LYS H H 7.838 0.03 1 643 61 61 LYS HA H 3.902 0.03 1 644 61 61 LYS HB2 H 1.871 0.03 1 645 61 61 LYS HB3 H 1.871 0.03 1 646 61 61 LYS HG2 H 1.403 0.03 1 647 61 61 LYS HG3 H 1.403 0.03 1 648 61 61 LYS HD2 H 1.695 0.03 1 649 61 61 LYS HD3 H 1.695 0.03 1 650 61 61 LYS HE2 H 2.939 0.03 1 651 61 61 LYS HE3 H 2.939 0.03 1 652 61 61 LYS C C 174.790 0.5 1 653 61 61 LYS CA C 56.114 0.5 1 654 61 61 LYS CB C 32.809 0.5 1 655 61 61 LYS CG C 24.772 0.5 1 656 61 61 LYS CD C 28.993 0.5 1 657 61 61 LYS CE C 38.603 0.5 1 658 61 61 LYS N N 122.042 0.5 1 659 62 62 GLY H H 8.680 0.03 1 660 62 62 GLY HA2 H 3.605 0.03 1 661 62 62 GLY HA3 H 3.605 0.03 1 662 62 62 GLY C C 172.000 0.5 1 663 62 62 GLY CA C 45.720 0.5 1 664 62 62 GLY N N 112.810 0.5 1 665 63 63 LYS H H 7.880 0.03 1 666 63 63 LYS HA H 4.545 0.03 1 667 63 63 LYS HB2 H 1.745 0.03 1 668 63 63 LYS HB3 H 1.745 0.03 1 669 63 63 LYS HG2 H 1.382 0.03 1 670 63 63 LYS HG3 H 1.382 0.03 1 671 63 63 LYS HE2 H 2.997 0.03 1 672 63 63 LYS HE3 H 2.997 0.03 1 673 63 63 LYS C C 174.688 0.5 1 674 63 63 LYS CA C 55.470 0.5 1 675 63 63 LYS CB C 33.560 0.5 1 676 63 63 LYS CG C 25.338 0.5 1 677 63 63 LYS CD C 29.122 0.5 1 678 63 63 LYS CE C 41.832 0.5 1 679 63 63 LYS N N 120.550 0.5 1 680 64 64 THR H H 8.170 0.03 1 681 64 64 THR HA H 4.585 0.03 1 682 64 64 THR HB H 4.085 0.03 1 683 64 64 THR HG1 H 5.351 0.03 1 684 64 64 THR HG2 H 1.231 0.03 1 685 64 64 THR C C 172.876 0.5 1 686 64 64 THR CA C 62.670 0.5 1 687 64 64 THR CB C 69.740 0.5 1 688 64 64 THR CG2 C 22.719 0.5 1 689 64 64 THR N N 117.430 0.5 1 690 65 65 LEU H H 8.380 0.03 1 691 65 65 LEU HA H 4.782 0.03 1 692 65 65 LEU HB2 H 1.600 0.03 1 693 65 65 LEU HB3 H 1.600 0.03 1 694 65 65 LEU HG H 1.600 0.03 1 695 65 65 LEU HD1 H 0.884 0.03 2 696 65 65 LEU HD2 H 0.884 0.03 2 697 65 65 LEU C C 172.487 0.5 1 698 65 65 LEU CA C 54.660 0.5 1 699 65 65 LEU CB C 46.240 0.5 1 700 65 65 LEU CG C 27.085 0.5 1 701 65 65 LEU CD1 C 25.921 0.5 1 702 65 65 LEU N N 125.330 0.5 1 703 66 66 MET H H 8.670 0.03 1 704 66 66 MET HA H 4.604 0.03 1 705 66 66 MET HB2 H 2.175 0.03 1 706 66 66 MET HB3 H 2.175 0.03 1 707 66 66 MET HG2 H 2.378 0.03 1 708 66 66 MET HG3 H 2.378 0.03 1 709 66 66 MET C C 172.289 0.5 1 710 66 66 MET CA C 54.600 0.5 1 711 66 66 MET CB C 35.830 0.5 1 712 66 66 MET CG C 32.518 0.5 1 713 66 66 MET N N 121.990 0.5 1 714 67 67 MET H H 8.770 0.03 1 715 67 67 MET HA H 4.919 0.03 1 716 67 67 MET HB2 H 2.223 0.03 1 717 67 67 MET HB3 H 2.223 0.03 1 718 67 67 MET HG2 H 2.561 0.03 2 719 67 67 MET HG3 H 2.675 0.03 2 720 67 67 MET HE H 1.993 0.03 1 721 67 67 MET C C 172.558 0.5 1 722 67 67 MET CA C 54.430 0.5 1 723 67 67 MET CB C 36.640 0.5 1 724 67 67 MET CG C 32.712 0.5 1 725 67 67 MET CE C 20.099 0.5 1 726 67 67 MET N N 120.450 0.5 1 727 68 68 PHE H H 8.670 0.03 1 728 68 68 PHE HA H 5.140 0.03 1 729 68 68 PHE HB2 H 3.045 0.03 1 730 68 68 PHE HB3 H 3.045 0.03 1 731 68 68 PHE HD2 H 7.936 0.03 3 732 68 68 PHE HE1 H 7.936 0.03 3 733 68 68 PHE HZ H 7.936 0.03 1 734 68 68 PHE C C 174.161 0.5 1 735 68 68 PHE CA C 57.280 0.5 1 736 68 68 PHE CB C 41.020 0.5 1 737 68 68 PHE N N 123.020 0.5 1 738 69 69 VAL H H 9.420 0.03 1 739 69 69 VAL HA H 5.189 0.03 1 740 69 69 VAL HB H 2.099 0.03 1 741 69 69 VAL HG1 H 0.910 0.03 2 742 69 69 VAL HG2 H 0.934 0.03 2 743 69 69 VAL C C 172.624 0.5 1 744 69 69 VAL CA C 60.610 0.5 1 745 69 69 VAL CB C 35.910 0.5 1 746 69 69 VAL CG1 C 20.972 0.5 1 747 69 69 VAL CG2 C 22.622 0.5 1 748 69 69 VAL N N 122.580 0.5 1 749 70 70 THR H H 8.520 0.03 1 750 70 70 THR HA H 4.888 0.03 1 751 70 70 THR HB H 4.331 0.03 1 752 70 70 THR HG2 H 1.165 0.03 1 753 70 70 THR C C 172.727 0.5 1 754 70 70 THR CA C 60.940 0.5 1 755 70 70 THR CB C 70.650 0.5 1 756 70 70 THR CG2 C 22.428 0.5 1 757 70 70 THR N N 122.100 0.5 1 758 71 71 VAL H H 9.090 0.03 1 759 71 71 VAL HA H 5.007 0.03 1 760 71 71 VAL HB H 1.949 0.03 1 761 71 71 VAL HG1 H 1.195 0.03 2 762 71 71 VAL HG2 H 0.886 0.03 2 763 71 71 VAL C C 174.372 0.5 1 764 71 71 VAL CA C 61.380 0.5 1 765 71 71 VAL CB C 33.060 0.5 1 766 71 71 VAL CG1 C 23.010 0.5 1 767 71 71 VAL CG2 C 21.846 0.5 1 768 71 71 VAL N N 130.220 0.5 1 769 72 72 SER H H 9.070 0.03 1 770 72 72 SER HA H 4.215 0.03 1 771 72 72 SER HB2 H 3.549 0.03 1 772 72 72 SER HB3 H 3.549 0.03 1 773 72 72 SER HG H 5.548 0.03 1 774 72 72 SER C C 174.483 0.5 1 775 72 72 SER CA C 58.410 0.5 1 776 72 72 SER CB C 65.490 0.5 1 777 72 72 SER N N 122.180 0.5 1 778 73 73 GLY H H 8.910 0.03 1 779 73 73 GLY HA2 H 3.809 0.03 1 780 73 73 GLY HA3 H 3.809 0.03 1 781 73 73 GLY C C 172.956 0.5 1 782 73 73 GLY CA C 46.510 0.5 1 783 73 73 GLY N N 107.790 0.5 1 784 74 74 ASN H H 8.940 0.03 1 785 74 74 ASN CA C 53.410 0.5 1 786 74 74 ASN CB C 38.030 0.5 1 787 74 74 ASN N N 116.830 0.5 1 788 75 75 PRO HA H 4.616 0.03 1 789 75 75 PRO HB2 H 2.570 0.03 2 790 75 75 PRO HB3 H 2.546 0.03 2 791 75 75 PRO HG2 H 1.750 0.03 1 792 75 75 PRO HG3 H 1.750 0.03 1 793 75 75 PRO HD2 H 3.676 0.03 1 794 75 75 PRO HD3 H 3.676 0.03 1 795 75 75 PRO C C 176.250 0.5 1 796 75 75 PRO CA C 62.830 0.5 1 797 75 75 PRO CB C 32.850 0.5 1 798 75 75 PRO CG C 27.861 0.5 1 799 76 76 THR H H 8.090 0.03 1 800 76 76 THR HA H 4.663 0.03 1 801 76 76 THR HB H 4.543 0.03 1 802 76 76 THR HG2 H 1.381 0.03 1 803 76 76 THR C C 174.009 0.5 1 804 76 76 THR CA C 60.660 0.5 1 805 76 76 THR CB C 71.090 0.5 1 806 76 76 THR CG2 C 22.040 0.5 1 807 76 76 THR N N 108.400 0.5 1 808 77 77 GLU H H 9.020 0.03 1 809 77 77 GLU HA H 4.164 0.03 1 810 77 77 GLU HB2 H 2.012 0.03 1 811 77 77 GLU HB3 H 2.012 0.03 1 812 77 77 GLU HG2 H 2.251 0.03 1 813 77 77 GLU HG3 H 2.251 0.03 1 814 77 77 GLU C C 177.200 0.5 1 815 77 77 GLU CA C 60.480 0.5 1 816 77 77 GLU CB C 29.820 0.5 1 817 77 77 GLU CG C 36.593 0.5 1 818 77 77 GLU N N 120.930 0.5 1 819 78 78 LYS H H 7.940 0.03 1 820 78 78 LYS HA H 4.075 0.03 1 821 78 78 LYS HB2 H 1.871 0.03 1 822 78 78 LYS HB3 H 1.871 0.03 1 823 78 78 LYS HG2 H 1.445 0.03 1 824 78 78 LYS HG3 H 1.445 0.03 1 825 78 78 LYS HD2 H 1.692 0.03 1 826 78 78 LYS HD3 H 1.692 0.03 1 827 78 78 LYS HE2 H 2.953 0.03 1 828 78 78 LYS HE3 H 2.953 0.03 1 829 78 78 LYS C C 177.569 0.5 1 830 78 78 LYS CA C 59.010 0.5 1 831 78 78 LYS CB C 32.490 0.5 1 832 78 78 LYS CG C 24.853 0.5 1 833 78 78 LYS CD C 29.025 0.5 1 834 78 78 LYS CE C 42.220 0.5 1 835 78 78 LYS N N 117.850 0.5 1 836 79 79 GLU H H 7.670 0.03 1 837 79 79 GLU HA H 4.095 0.03 1 838 79 79 GLU HB2 H 2.263 0.03 2 839 79 79 GLU HB3 H 2.155 0.03 2 840 79 79 GLU HG2 H 2.418 0.03 2 841 79 79 GLU HG3 H 2.350 0.03 2 842 79 79 GLU C C 177.475 0.5 1 843 79 79 GLU CA C 59.320 0.5 1 844 79 79 GLU CB C 29.880 0.5 1 845 79 79 GLU CG C 36.108 0.5 1 846 79 79 GLU N N 120.510 0.5 1 847 80 80 THR H H 8.860 0.03 1 848 80 80 THR HA H 4.307 0.03 1 849 80 80 THR HB H 3.652 0.03 1 850 80 80 THR HG2 H 0.954 0.03 1 851 80 80 THR C C 177.061 0.5 1 852 80 80 THR CA C 67.410 0.5 1 853 80 80 THR CB C 70.070 0.5 1 854 80 80 THR CG2 C 22.719 0.5 1 855 80 80 THR N N 120.550 0.5 1 856 81 81 GLU H H 8.780 0.03 1 857 81 81 GLU HA H 4.071 0.03 1 858 81 81 GLU HB2 H 2.583 0.03 1 859 81 81 GLU HB3 H 2.583 0.03 1 860 81 81 GLU HG2 H 2.684 0.03 1 861 81 81 GLU HG3 H 2.684 0.03 1 862 81 81 GLU C C 176.062 0.5 1 863 81 81 GLU CA C 60.400 0.5 1 864 81 81 GLU CB C 29.180 0.5 1 865 81 81 GLU N N 126.130 0.5 1 866 82 82 GLU H H 7.920 0.03 1 867 82 82 GLU HA H 3.913 0.03 1 868 82 82 GLU HB2 H 2.173 0.03 1 869 82 82 GLU HB3 H 2.173 0.03 1 870 82 82 GLU HG2 H 2.387 0.03 1 871 82 82 GLU HG3 H 2.387 0.03 1 872 82 82 GLU C C 178.146 0.5 1 873 82 82 GLU CA C 54.350 0.5 1 874 82 82 GLU CB C 29.830 0.5 1 875 82 82 GLU CG C 36.117 0.5 1 876 82 82 GLU N N 120.550 0.5 1 877 83 83 ILE H H 8.780 0.03 1 878 83 83 ILE HA H 3.635 0.03 1 879 83 83 ILE HB H 1.780 0.03 1 880 83 83 ILE HG12 H 1.156 0.03 1 881 83 83 ILE HG13 H 1.156 0.03 1 882 83 83 ILE HD1 H 0.656 0.03 1 883 83 83 ILE C C 176.166 0.5 1 884 83 83 ILE CA C 64.960 0.5 1 885 83 83 ILE CB C 38.980 0.5 1 886 83 83 ILE CG1 C 29.607 0.5 1 887 83 83 ILE CG2 C 16.703 0.5 1 888 83 83 ILE N N 120.450 0.5 1 889 84 84 THR H H 7.870 0.03 1 890 84 84 THR HA H 4.179 0.03 1 891 84 84 THR HB H 4.167 0.03 1 892 84 84 THR HG1 H 4.540 0.03 1 893 84 84 THR HG2 H 1.155 0.03 1 894 84 84 THR C C 176.534 0.5 1 895 84 84 THR CA C 65.180 0.5 1 896 84 84 THR CB C 69.730 0.5 1 897 84 84 THR CG2 C 22.234 0.5 1 898 84 84 THR N N 105.640 0.5 1 899 85 85 SER H H 7.960 0.03 1 900 85 85 SER HA H 4.329 0.03 1 901 85 85 SER HB2 H 3.967 0.03 1 902 85 85 SER HB3 H 3.967 0.03 1 903 85 85 SER HG H 4.660 0.03 1 904 85 85 SER C C 176.249 0.5 1 905 85 85 SER CA C 62.470 0.5 1 906 85 85 SER CB C 64.980 0.5 1 907 85 85 SER N N 119.880 0.5 1 908 86 86 LEU H H 7.780 0.03 1 909 86 86 LEU HA H 4.267 0.03 1 910 86 86 LEU HB2 H 1.544 0.03 1 911 86 86 LEU HB3 H 1.544 0.03 1 912 86 86 LEU HG H 1.544 0.03 1 913 86 86 LEU HD1 H 0.823 0.03 2 914 86 86 LEU HD2 H 0.823 0.03 2 915 86 86 LEU C C 173.250 0.5 1 916 86 86 LEU CA C 55.049 0.5 1 917 86 86 LEU CB C 42.658 0.5 1 918 86 86 LEU CD1 C 23.350 0.5 1 919 86 86 LEU CD2 C 23.350 0.5 1 920 86 86 LEU N N 122.024 0.5 1 921 87 87 TRP H H 8.585 0.03 1 922 87 87 TRP HA H 4.868 0.03 1 923 87 87 TRP HB2 H 3.751 0.03 2 924 87 87 TRP HB3 H 3.204 0.03 2 925 87 87 TRP C C 176.981 0.5 1 926 87 87 TRP CA C 56.274 0.5 1 927 87 87 TRP CB C 30.140 0.5 1 928 87 87 TRP N N 121.371 0.5 1 929 88 88 GLN H H 8.740 0.03 1 930 88 88 GLN HA H 3.870 0.03 1 931 88 88 GLN HB2 H 2.284 0.03 2 932 88 88 GLN HB3 H 2.159 0.03 2 933 88 88 GLN HG2 H 2.621 0.03 1 934 88 88 GLN HG3 H 2.621 0.03 1 935 88 88 GLN C C 176.229 0.5 1 936 88 88 GLN CA C 60.260 0.5 1 937 88 88 GLN CB C 28.230 0.5 1 938 88 88 GLN CG C 33.391 0.5 1 939 88 88 GLN N N 118.470 0.5 1 940 89 89 GLY H H 8.650 0.03 1 941 89 89 GLY HA2 H 4.028 0.03 2 942 89 89 GLY HA3 H 4.021 0.03 2 943 89 89 GLY C C 175.373 0.5 1 944 89 89 GLY CA C 47.520 0.5 1 945 89 89 GLY N N 107.660 0.5 1 946 90 90 SER H H 8.390 0.03 1 947 90 90 SER HA H 4.311 0.03 1 948 90 90 SER HB2 H 3.981 0.03 2 949 90 90 SER HB3 H 3.906 0.03 2 950 90 90 SER C C 174.625 0.5 1 951 90 90 SER CA C 62.120 0.5 1 952 90 90 SER CB C 63.280 0.5 1 953 90 90 SER N N 119.290 0.5 1 954 91 91 LEU H H 8.130 0.03 1 955 91 91 LEU HA H 3.894 0.03 1 956 91 91 LEU HB2 H 1.636 0.03 2 957 91 91 LEU HB3 H 1.326 0.03 2 958 91 91 LEU HG H 1.314 0.03 1 959 91 91 LEU HD1 H 0.636 0.03 2 960 91 91 LEU HD2 H 0.660 0.03 2 961 91 91 LEU C C 174.625 0.5 1 962 91 91 LEU CA C 57.800 0.5 1 963 91 91 LEU CB C 41.400 0.5 1 964 91 91 LEU CG C 26.600 0.5 1 965 91 91 LEU CD1 C 23.698 0.5 1 966 91 91 LEU CD2 C 21.361 0.5 1 967 91 91 LEU N N 122.980 0.5 1 968 92 92 PHE H H 8.850 0.03 1 969 92 92 PHE HA H 4.422 0.03 1 970 92 92 PHE HB2 H 3.382 0.03 1 971 92 92 PHE HB3 H 3.382 0.03 1 972 92 92 PHE HD1 H 7.007 0.03 1 973 92 92 PHE HD2 H 7.007 0.03 1 974 92 92 PHE HE1 H 7.250 0.03 1 975 92 92 PHE HE2 H 7.250 0.03 1 976 92 92 PHE HZ H 7.040 0.03 1 977 92 92 PHE C C 179.321 0.5 1 978 92 92 PHE CA C 60.580 0.5 1 979 92 92 PHE CB C 38.720 0.5 1 980 92 92 PHE N N 121.820 0.5 1 981 93 93 ASN H H 8.250 0.03 1 982 93 93 ASN HA H 4.427 0.03 1 983 93 93 ASN HB2 H 2.928 0.03 1 984 93 93 ASN HB3 H 2.928 0.03 1 985 93 93 ASN HD21 H 7.008 0.03 1 986 93 93 ASN HD22 H 7.008 0.03 1 987 93 93 ASN C C 174.063 0.5 1 988 93 93 ASN CA C 55.540 0.5 1 989 93 93 ASN CB C 38.320 0.5 1 990 93 93 ASN N N 119.570 0.5 1 991 94 94 ALA H H 7.350 0.03 1 992 94 94 ALA HA H 4.278 0.03 1 993 94 94 ALA HB H 1.295 0.03 1 994 94 94 ALA C C 173.500 0.5 1 995 94 94 ALA CA C 51.500 0.5 1 996 94 94 ALA CB C 18.530 0.5 1 997 94 94 ALA N N 122.080 0.5 1 998 95 95 ASN H H 7.690 0.03 1 999 95 95 ASN HA H 4.087 0.03 1 1000 95 95 ASN HB2 H 2.630 0.03 2 1001 95 95 ASN HB3 H 2.812 0.03 2 1002 95 95 ASN C C 172.875 0.5 1 1003 95 95 ASN CA C 54.710 0.5 1 1004 95 95 ASN CB C 36.480 0.5 1 1005 95 95 ASN N N 110.270 0.5 1 1006 96 96 TYR H H 7.830 0.03 1 1007 96 96 TYR HA H 4.461 0.03 1 1008 96 96 TYR HB2 H 2.531 0.03 1 1009 96 96 TYR HB3 H 2.531 0.03 1 1010 96 96 TYR HD1 H 6.976 0.03 1 1011 96 96 TYR HD2 H 6.976 0.03 1 1012 96 96 TYR HE1 H 6.987 0.03 1 1013 96 96 TYR HE2 H 6.987 0.03 1 1014 96 96 TYR HH H 9.139 0.03 1 1015 96 96 TYR C C 173.328 0.5 1 1016 96 96 TYR CA C 56.710 0.5 1 1017 96 96 TYR CB C 39.380 0.5 1 1018 96 96 TYR N N 117.380 0.5 1 1019 97 97 ASP H H 8.400 0.03 1 1020 97 97 ASP HA H 4.789 0.03 1 1021 97 97 ASP HB2 H 2.870 0.03 2 1022 97 97 ASP HB3 H 2.538 0.03 2 1023 97 97 ASP C C 174.000 0.5 1 1024 97 97 ASP CA C 53.660 0.5 1 1025 97 97 ASP CB C 41.150 0.5 1 1026 97 97 ASP N N 123.010 0.5 1 1027 98 98 VAL H H 7.730 0.03 1 1028 98 98 VAL HA H 5.166 0.03 1 1029 98 98 VAL HB H 2.134 0.03 1 1030 98 98 VAL HG1 H 0.993 0.03 2 1031 98 98 VAL HG2 H 0.898 0.03 2 1032 98 98 VAL C C 174.786 0.5 1 1033 98 98 VAL CA C 58.970 0.5 1 1034 98 98 VAL CB C 35.720 0.5 1 1035 98 98 VAL CG1 C 22.428 0.5 1 1036 98 98 VAL CG2 C 20.875 0.5 1 1037 98 98 VAL N N 119.400 0.5 1 1038 99 99 GLN H H 8.580 0.03 1 1039 99 99 GLN HA H 4.623 0.03 1 1040 99 99 GLN HB2 H 2.158 0.03 1 1041 99 99 GLN HB3 H 2.158 0.03 1 1042 99 99 GLN HG2 H 2.580 0.03 1 1043 99 99 GLN HG3 H 2.580 0.03 1 1044 99 99 GLN HE21 H 7.722 0.03 1 1045 99 99 GLN HE22 H 7.722 0.03 1 1046 99 99 GLN C C 174.943 0.5 1 1047 99 99 GLN CA C 54.430 0.5 1 1048 99 99 GLN CB C 32.350 0.5 1 1049 99 99 GLN CG C 33.391 0.5 1 1050 99 99 GLN N N 122.260 0.5 1 1051 100 100 ARG H H 8.060 0.03 1 1052 100 100 ARG HA H 4.629 0.03 1 1053 100 100 ARG HB2 H 1.794 0.03 1 1054 100 100 ARG HB3 H 1.794 0.03 1 1055 100 100 ARG HG2 H 1.517 0.03 1 1056 100 100 ARG HG3 H 1.517 0.03 1 1057 100 100 ARG HD2 H 3.113 0.03 1 1058 100 100 ARG HD3 H 3.113 0.03 1 1059 100 100 ARG HH11 H 6.734 0.03 1 1060 100 100 ARG HH12 H 6.734 0.03 1 1061 100 100 ARG HH21 H 6.734 0.03 1 1062 100 100 ARG HH22 H 6.734 0.03 1 1063 100 100 ARG C C 174.938 0.5 1 1064 100 100 ARG CA C 54.620 0.5 1 1065 100 100 ARG CB C 32.350 0.5 1 1066 100 100 ARG CG C 29.413 0.5 1 1067 100 100 ARG CD C 43.419 0.5 1 1068 100 100 ARG N N 121.510 0.5 1 1069 101 101 PHE H H 8.060 0.03 1 1070 101 101 PHE HA H 4.085 0.03 1 1071 101 101 PHE HB2 H 2.613 0.03 1 1072 101 101 PHE HB3 H 2.613 0.03 1 1073 101 101 PHE C C 177.092 0.5 1 1074 101 101 PHE CA C 57.400 0.5 1 1075 101 101 PHE CB C 41.810 0.5 1 1076 101 101 PHE N N 121.510 0.5 1 1077 102 102 ILE H H 7.584 0.03 1 1078 102 102 ILE HA H 4.833 0.03 1 1079 102 102 ILE HG12 H 1.528 0.03 1 1080 102 102 ILE HG13 H 1.528 0.03 1 1081 102 102 ILE HG2 H 0.684 0.03 1 1082 102 102 ILE HD1 H 0.660 0.03 1 1083 102 102 ILE C C 174.628 0.5 1 1084 102 102 ILE CA C 61.203 0.5 1 1085 102 102 ILE CB C 38.744 0.5 1 1086 102 102 ILE CG1 C 27.746 0.5 1 1087 102 102 ILE CG2 C 17.674 0.5 1 1088 102 102 ILE CD1 C 14.723 0.5 1 1089 102 102 ILE N N 120.516 0.5 1 1090 103 103 VAL H H 9.170 0.03 1 1091 103 103 VAL HA H 4.684 0.03 1 1092 103 103 VAL HB H 2.356 0.03 1 1093 103 103 VAL HG1 H 0.851 0.03 2 1094 103 103 VAL HG2 H 0.716 0.03 2 1095 103 103 VAL C C 173.163 0.5 1 1096 103 103 VAL CA C 60.790 0.5 1 1097 103 103 VAL CB C 33.030 0.5 1 1098 103 103 VAL CG1 C 19.226 0.5 1 1099 103 103 VAL CG2 C 21.846 0.5 1 1100 103 103 VAL N N 125.940 0.5 1 1101 104 104 GLY H H 8.130 0.03 1 1102 104 104 GLY HA2 H 4.245 0.03 2 1103 104 104 GLY HA3 H 4.090 0.03 2 1104 104 104 GLY C C 171.323 0.5 1 1105 104 104 GLY CA C 45.080 0.5 1 1106 104 104 GLY N N 110.780 0.5 1 1107 105 105 SER H H 8.760 0.03 1 1108 105 105 SER HA H 4.565 0.03 1 1109 105 105 SER HB2 H 3.929 0.03 1 1110 105 105 SER HB3 H 3.929 0.03 1 1111 105 105 SER HG H 5.360 0.03 1 1112 105 105 SER C C 172.625 0.5 1 1113 105 105 SER CA C 61.940 0.5 1 1114 105 105 SER CB C 62.860 0.5 1 1115 105 105 SER N N 114.540 0.5 1 1116 106 106 ASP H H 7.910 0.03 1 1117 106 106 ASP HA H 4.727 0.03 1 1118 106 106 ASP HB2 H 2.562 0.03 1 1119 106 106 ASP HB3 H 2.562 0.03 1 1120 106 106 ASP C C 174.000 0.5 1 1121 106 106 ASP CA C 52.460 0.5 1 1122 106 106 ASP CB C 42.210 0.5 1 1123 106 106 ASP N N 114.770 0.5 1 1124 107 107 ARG H H 7.060 0.03 1 1125 107 107 ARG HA H 4.698 0.03 1 1126 107 107 ARG HB2 H 1.752 0.03 1 1127 107 107 ARG HB3 H 1.752 0.03 1 1128 107 107 ARG HG2 H 1.603 0.03 1 1129 107 107 ARG HG3 H 1.603 0.03 1 1130 107 107 ARG HD2 H 3.077 0.03 1 1131 107 107 ARG HD3 H 3.077 0.03 1 1132 107 107 ARG HE H 7.825 0.03 1 1133 107 107 ARG C C 172.850 0.5 1 1134 107 107 ARG CA C 54.680 0.5 1 1135 107 107 ARG CB C 35.400 0.5 1 1136 107 107 ARG CG C 27.085 0.5 1 1137 107 107 ARG CD C 43.870 0.5 1 1138 107 107 ARG N N 116.580 0.5 1 1139 108 108 ALA H H 9.160 0.03 1 1140 108 108 ALA HA H 4.711 0.03 1 1141 108 108 ALA HB H 1.224 0.03 1 1142 108 108 ALA C C 174.070 0.5 1 1143 108 108 ALA CA C 49.930 0.5 1 1144 108 108 ALA CB C 23.750 0.5 1 1145 108 108 ALA N N 123.100 0.5 1 1146 109 109 ILE H H 9.300 0.03 1 1147 109 109 ILE HA H 4.785 0.03 1 1148 109 109 ILE HG12 H 1.540 0.03 1 1149 109 109 ILE HG13 H 1.540 0.03 1 1150 109 109 ILE HG2 H 0.708 0.03 1 1151 109 109 ILE HD1 H 0.589 0.03 1 1152 109 109 ILE C C 173.198 0.5 1 1153 109 109 ILE CA C 60.060 0.5 1 1154 109 109 ILE CB C 41.530 0.5 1 1155 109 109 ILE CG1 C 27.764 0.5 1 1156 109 109 ILE CG2 C 17.674 0.5 1 1157 109 109 ILE CD1 C 14.723 0.5 1 1158 109 109 ILE N N 120.130 0.5 1 1159 110 110 PHE H H 9.140 0.03 1 1160 110 110 PHE HA H 5.229 0.03 1 1161 110 110 PHE HB2 H 2.846 0.03 2 1162 110 110 PHE HB3 H 2.551 0.03 2 1163 110 110 PHE HD1 H 7.514 0.03 1 1164 110 110 PHE HD2 H 7.514 0.03 1 1165 110 110 PHE HE1 H 8.190 0.03 1 1166 110 110 PHE HE2 H 8.190 0.03 1 1167 110 110 PHE HZ H 8.190 0.03 1 1168 110 110 PHE C C 172.651 0.5 1 1169 110 110 PHE CA C 56.220 0.5 1 1170 110 110 PHE CB C 40.780 0.5 1 1171 110 110 PHE N N 125.940 0.5 1 1172 111 111 MET H H 9.340 0.03 1 1173 111 111 MET HA H 5.030 0.03 1 1174 111 111 MET HB2 H 2.224 0.03 1 1175 111 111 MET HB3 H 2.224 0.03 1 1176 111 111 MET HG2 H 2.252 0.03 1 1177 111 111 MET HG3 H 2.252 0.03 1 1178 111 111 MET C C 172.670 0.5 1 1179 111 111 MET CA C 54.320 0.5 1 1180 111 111 MET CB C 35.610 0.5 1 1181 111 111 MET CG C 32.033 0.5 1 1182 111 111 MET N N 123.560 0.5 1 1183 112 112 LEU H H 9.220 0.03 1 1184 112 112 LEU HA H 4.639 0.03 1 1185 112 112 LEU HB2 H 1.660 0.03 2 1186 112 112 LEU HB3 H 1.573 0.03 2 1187 112 112 LEU HG H 1.442 0.03 1 1188 112 112 LEU HD1 H 0.739 0.03 2 1189 112 112 LEU HD2 H 0.739 0.03 2 1190 112 112 LEU C C 173.114 0.5 1 1191 112 112 LEU CA C 54.480 0.5 1 1192 112 112 LEU CB C 43.220 0.5 1 1193 112 112 LEU CG C 27.142 0.5 1 1194 112 112 LEU CD1 C 24.978 0.5 1 1195 112 112 LEU CD2 C 23.643 0.5 1 1196 112 112 LEU N N 128.450 0.5 1 1197 113 113 ARG H H 7.920 0.03 1 1198 113 113 ARG HA H 4.123 0.03 1 1199 113 113 ARG HB2 H 1.784 0.03 1 1200 113 113 ARG HB3 H 1.784 0.03 1 1201 113 113 ARG HG2 H 1.635 0.03 1 1202 113 113 ARG HG3 H 1.635 0.03 1 1203 113 113 ARG HD2 H 3.051 0.03 1 1204 113 113 ARG HD3 H 3.051 0.03 1 1205 113 113 ARG HE H 7.852 0.03 1 1206 113 113 ARG HH11 H 6.243 0.03 1 1207 113 113 ARG HH12 H 6.564 0.03 1 1208 113 113 ARG C C 174.250 0.5 1 1209 113 113 ARG CA C 57.890 0.5 1 1210 113 113 ARG CB C 29.830 0.5 1 1211 113 113 ARG CG C 27.570 0.5 1 1212 113 113 ARG CD C 43.097 0.5 1 1213 113 113 ARG N N 120.360 0.5 1 1214 114 114 ASP H H 7.870 0.03 1 1215 114 114 ASP HA H 4.700 0.03 1 1216 114 114 ASP HB2 H 3.034 0.03 2 1217 114 114 ASP HB3 H 2.653 0.03 2 1218 114 114 ASP C C 174.747 0.5 1 1219 114 114 ASP CA C 52.540 0.5 1 1220 114 114 ASP CB C 42.110 0.5 1 1221 114 114 ASP N N 115.300 0.5 1 1222 115 115 GLY H H 8.830 0.03 1 1223 115 115 GLY HA2 H 3.842 0.03 2 1224 115 115 GLY HA3 H 3.771 0.03 2 1225 115 115 GLY C C 173.736 0.5 1 1226 115 115 GLY CA C 47.420 0.5 1 1227 115 115 GLY N N 110.480 0.5 1 1228 116 116 SER H H 8.540 0.03 1 1229 116 116 SER HA H 4.211 0.03 1 1230 116 116 SER HB2 H 3.664 0.03 1 1231 116 116 SER HB3 H 3.664 0.03 1 1232 116 116 SER HG H 5.637 0.03 1 1233 116 116 SER C C 174.438 0.5 1 1234 116 116 SER CA C 61.740 0.5 1 1235 116 116 SER CB C 62.610 0.5 1 1236 116 116 SER N N 116.940 0.5 1 1237 117 117 TYR H H 7.260 0.03 1 1238 117 117 TYR HA H 4.328 0.03 1 1239 117 117 TYR HB2 H 2.980 0.03 1 1240 117 117 TYR HB3 H 2.980 0.03 1 1241 117 117 TYR HD1 H 6.937 0.03 1 1242 117 117 TYR HD2 H 6.937 0.03 1 1243 117 117 TYR HE1 H 6.882 0.03 3 1244 117 117 TYR HE2 H 6.868 0.03 3 1245 117 117 TYR HH H 9.320 0.03 1 1246 117 117 TYR C C 174.912 0.5 1 1247 117 117 TYR CA C 57.710 0.5 1 1248 117 117 TYR CB C 37.950 0.5 1 1249 117 117 TYR N N 117.380 0.5 1 1250 118 118 ALA H H 7.700 0.03 1 1251 118 118 ALA HA H 4.039 0.03 1 1252 118 118 ALA HB H 1.184 0.03 1 1253 118 118 ALA C C 176.687 0.5 1 1254 118 118 ALA CA C 56.320 0.5 1 1255 118 118 ALA CB C 20.060 0.5 1 1256 118 118 ALA N N 121.050 0.5 1 1257 119 119 TRP H H 8.340 0.03 1 1258 119 119 TRP HA H 4.486 0.03 1 1259 119 119 TRP HB2 H 3.308 0.03 1 1260 119 119 TRP HB3 H 3.308 0.03 1 1261 119 119 TRP HD1 H 7.988 0.03 1 1262 119 119 TRP HE3 H 7.988 0.03 1 1263 119 119 TRP HZ2 H 7.988 0.03 1 1264 119 119 TRP C C 176.520 0.5 1 1265 119 119 TRP CA C 56.380 0.5 1 1266 119 119 TRP CB C 28.660 0.5 1 1267 119 119 TRP N N 118.160 0.5 1 1268 120 120 GLU H H 8.090 0.03 1 1269 120 120 GLU HA H 4.626 0.03 1 1270 120 120 GLU HB2 H 2.171 0.03 1 1271 120 120 GLU HB3 H 2.171 0.03 1 1272 120 120 GLU HG2 H 2.428 0.03 1 1273 120 120 GLU HG3 H 2.428 0.03 1 1274 120 120 GLU C C 175.188 0.5 1 1275 120 120 GLU CA C 57.520 0.5 1 1276 120 120 GLU CB C 29.610 0.5 1 1277 120 120 GLU CG C 36.179 0.5 1 1278 120 120 GLU N N 120.500 0.5 1 1279 121 121 ILE H H 8.070 0.03 1 1280 121 121 ILE HA H 4.036 0.03 1 1281 121 121 ILE HB H 1.760 0.03 1 1282 121 121 ILE HG12 H 1.188 0.03 1 1283 121 121 ILE HG13 H 1.105 0.03 1 1284 121 121 ILE HG2 H 0.794 0.03 1 1285 121 121 ILE HD1 H 0.794 0.03 1 1286 121 121 ILE C C 175.022 0.5 1 1287 121 121 ILE CA C 61.720 0.5 1 1288 121 121 ILE CB C 38.700 0.5 1 1289 121 121 ILE CG1 C 27.424 0.5 1 1290 121 121 ILE CG2 C 17.736 0.5 1 1291 121 121 ILE CD1 C 13.416 0.5 1 1292 121 121 ILE N N 121.510 0.5 1 1293 122 122 LYS H H 8.340 0.03 1 1294 122 122 LYS HA H 4.230 0.03 1 1295 122 122 LYS HB2 H 1.732 0.03 1 1296 122 122 LYS HB3 H 1.732 0.03 1 1297 122 122 LYS HG2 H 1.374 0.03 1 1298 122 122 LYS HG3 H 1.374 0.03 1 1299 122 122 LYS HD2 H 1.610 0.03 1 1300 122 122 LYS HD3 H 1.610 0.03 1 1301 122 122 LYS HE2 H 2.911 0.03 1 1302 122 122 LYS HE3 H 2.911 0.03 1 1303 122 122 LYS C C 174.563 0.5 1 1304 122 122 LYS CA C 56.630 0.5 1 1305 122 122 LYS CB C 33.470 0.5 1 1306 122 122 LYS CG C 24.856 0.5 1 1307 122 122 LYS CD C 29.292 0.5 1 1308 122 122 LYS CE C 41.665 0.5 1 1309 122 122 LYS N N 123.420 0.5 1 1310 123 123 ASP H H 8.410 0.03 1 1311 123 123 ASP HA H 4.578 0.03 1 1312 123 123 ASP HB2 H 2.598 0.03 1 1313 123 123 ASP HB3 H 2.598 0.03 1 1314 123 123 ASP C C 173.353 0.5 1 1315 123 123 ASP CA C 54.270 0.5 1 1316 123 123 ASP CB C 41.760 0.5 1 1317 123 123 ASP N N 122.320 0.5 1 1318 124 124 PHE H H 7.470 0.03 1 1319 124 124 PHE CA C 59.040 0.5 1 1320 124 124 PHE CB C 39.440 0.5 1 1321 124 124 PHE N N 124.230 0.5 1 1322 125 125 LEU HA H 4.532 0.03 1 1323 125 125 LEU C C 174.896 0.5 1 1324 126 126 VAL H H 7.760 0.03 1 1325 126 126 VAL HA H 3.896 0.03 1 1326 126 126 VAL HB H 2.126 0.03 1 1327 126 126 VAL HG1 H 0.865 0.03 2 1328 126 126 VAL HG2 H 0.865 0.03 2 1329 126 126 VAL C C 175.500 0.5 1 1330 126 126 VAL CA C 64.870 0.5 1 1331 126 126 VAL CB C 30.880 0.5 1 1332 126 126 VAL CG1 C 22.288 0.5 1 1333 126 126 VAL CG2 C 22.172 0.5 1 1334 126 126 VAL N N 122.470 0.5 1 1335 127 127 SER H H 6.910 0.03 1 1336 127 127 SER HA H 4.274 0.03 1 1337 127 127 SER HB2 H 3.796 0.03 1 1338 127 127 SER HB3 H 3.796 0.03 1 1339 127 127 SER C C 172.521 0.5 1 1340 127 127 SER CA C 58.710 0.5 1 1341 127 127 SER CB C 63.960 0.5 1 1342 127 127 SER N N 113.060 0.5 1 1343 128 128 GLN H H 7.540 0.03 1 1344 128 128 GLN HA H 4.422 0.03 1 1345 128 128 GLN C C 176.062 0.5 1 1346 128 128 GLN CA C 53.890 0.5 1 1347 128 128 GLN CB C 28.630 0.5 1 1348 128 128 GLN CG C 32.210 0.5 1 1349 128 128 GLN N N 120.240 0.5 1 1350 129 129 ASP H H 8.180 0.03 1 1351 129 129 ASP HA H 4.132 0.03 1 1352 129 129 ASP HB2 H 2.254 0.03 1 1353 129 129 ASP HB3 H 2.254 0.03 1 1354 129 129 ASP C C 177.187 0.5 1 1355 129 129 ASP CA C 54.340 0.5 1 1356 129 129 ASP CB C 41.070 0.5 1 1357 129 129 ASP N N 118.640 0.5 1 1358 130 130 ARG H H 7.920 0.03 1 1359 130 130 ARG HA H 4.341 0.03 1 1360 130 130 ARG HB2 H 1.724 0.03 2 1361 130 130 ARG HB3 H 1.714 0.03 2 1362 130 130 ARG HG2 H 1.431 0.03 1 1363 130 130 ARG HG3 H 1.431 0.03 1 1364 130 130 ARG HD2 H 2.856 0.03 1 1365 130 130 ARG HD3 H 2.856 0.03 1 1366 130 130 ARG HE H 7.682 0.03 1 1367 130 130 ARG C C 176.188 0.5 1 1368 130 130 ARG CA C 56.420 0.5 1 1369 130 130 ARG CB C 32.880 0.5 1 1370 130 130 ARG CG C 28.942 0.5 1 1371 130 130 ARG CD C 45.167 0.5 1 1372 130 130 ARG N N 117.690 0.5 1 1373 131 131 CYS H H 7.800 0.03 1 1374 131 131 CYS HA H 4.444 0.03 1 1375 131 131 CYS HB2 H 2.648 0.03 1 1376 131 131 CYS C C 175.571 0.5 1 1377 131 131 CYS CA C 55.050 0.5 1 1378 131 131 CYS CB C 42.670 0.5 1 1379 131 131 CYS N N 121.780 0.5 1 1380 132 132 ALA H H 8.210 0.03 1 1381 132 132 ALA HA H 4.277 0.03 1 1382 132 132 ALA HB H 1.262 0.03 1 1383 132 132 ALA C C 177.562 0.5 1 1384 132 132 ALA CA C 54.070 0.5 1 1385 132 132 ALA CB C 18.980 0.5 1 1386 132 132 ALA N N 128.840 0.5 1 1387 133 133 GLU H H 7.560 0.03 1 1388 133 133 GLU HA H 4.257 0.03 1 1389 133 133 GLU HB2 H 2.069 0.03 1 1390 133 133 GLU HB3 H 2.069 0.03 1 1391 133 133 GLU HG2 H 2.246 0.03 1 1392 133 133 GLU HG3 H 2.246 0.03 1 1393 133 133 GLU C C 173.119 0.5 1 1394 133 133 GLU CA C 55.580 0.5 1 1395 133 133 GLU CB C 32.910 0.5 1 1396 133 133 GLU CG C 35.596 0.5 1 1397 133 133 GLU N N 114.870 0.5 1 1398 134 134 VAL H H 8.700 0.03 1 1399 134 134 VAL HA H 4.970 0.03 1 1400 134 134 VAL HB H 1.866 0.03 1 1401 134 134 VAL HG1 H 0.826 0.03 2 1402 134 134 VAL HG2 H 0.826 0.03 2 1403 134 134 VAL C C 174.031 0.5 1 1404 134 134 VAL CA C 60.660 0.5 1 1405 134 134 VAL CB C 35.700 0.5 1 1406 134 134 VAL CG1 C 24.389 0.5 1 1407 134 134 VAL CG2 C 22.522 0.5 1 1408 134 134 VAL N N 121.510 0.5 1 1409 135 135 THR H H 9.470 0.03 1 1410 135 135 THR HA H 4.123 0.03 1 1411 135 135 THR HB H 4.123 0.03 1 1412 135 135 THR HG1 H 5.492 0.03 1 1413 135 135 THR HG2 H 1.045 0.03 1 1414 135 135 THR C C 172.084 0.5 1 1415 135 135 THR CA C 61.920 0.5 1 1416 135 135 THR CB C 70.040 0.5 1 1417 135 135 THR CG2 C 21.121 0.5 1 1418 135 135 THR N N 123.510 0.5 1 1419 136 136 LEU H H 8.990 0.03 1 1420 136 136 LEU HA H 4.624 0.03 1 1421 136 136 LEU HB2 H 1.500 0.03 2 1422 136 136 LEU HB3 H 1.616 0.03 2 1423 136 136 LEU HG H 1.500 0.03 1 1424 136 136 LEU HD1 H 0.840 0.03 2 1425 136 136 LEU HD2 H 0.840 0.03 2 1426 136 136 LEU C C 175.100 0.5 1 1427 136 136 LEU CA C 54.080 0.5 1 1428 136 136 LEU CB C 45.380 0.5 1 1429 136 136 LEU CG C 27.191 0.5 1 1430 136 136 LEU CD1 C 24.623 0.5 1 1431 136 136 LEU CD2 C 23.689 0.5 1 1432 136 136 LEU N N 127.780 0.5 1 1433 137 137 GLU H H 7.890 0.03 1 1434 137 137 GLU HA H 4.008 0.03 1 1435 137 137 GLU HB2 H 2.214 0.03 1 1436 137 137 GLU HB3 H 2.214 0.03 1 1437 137 137 GLU HG2 H 2.390 0.03 1 1438 137 137 GLU HG3 H 2.390 0.03 1 1439 137 137 GLU C C 175.027 0.5 1 1440 137 137 GLU CA C 56.610 0.5 1 1441 137 137 GLU CB C 30.730 0.5 1 1442 137 137 GLU N N 120.500 0.5 1 1443 138 138 GLY H H 8.750 0.03 1 1444 138 138 GLY HA2 H 3.546 0.03 1 1445 138 138 GLY HA3 H 3.546 0.03 1 1446 138 138 GLY C C 174.553 0.5 1 1447 138 138 GLY CA C 45.410 0.5 1 1448 138 138 GLY N N 104.070 0.5 1 1449 139 139 GLN H H 7.887 0.03 1 1450 139 139 GLN HA H 4.452 0.03 1 1451 139 139 GLN HB2 H 2.112 0.03 1 1452 139 139 GLN HB3 H 2.112 0.03 1 1453 139 139 GLN HG2 H 2.261 0.03 1 1454 139 139 GLN HG3 H 2.261 0.03 1 1455 139 139 GLN C C 171.568 0.5 1 1456 139 139 GLN CA C 54.160 0.5 1 1457 139 139 GLN CB C 30.816 0.5 1 1458 139 139 GLN CG C 33.529 0.5 1 1459 139 139 GLN N N 120.701 0.5 1 1460 140 140 MET H H 8.260 0.03 1 1461 140 140 MET HA H 4.489 0.03 1 1462 140 140 MET HB2 H 2.060 0.03 1 1463 140 140 MET HB3 H 2.060 0.03 1 1464 140 140 MET HG2 H 2.345 0.03 1 1465 140 140 MET HG3 H 2.345 0.03 1 1466 140 140 MET HE H 1.911 0.03 1 1467 140 140 MET C C 174.817 0.5 1 1468 140 140 MET CA C 55.680 0.5 1 1469 140 140 MET CB C 33.960 0.5 1 1470 140 140 MET N N 124.160 0.5 1 1471 141 141 TYR H H 8.720 0.03 1 1472 141 141 TYR CA C 57.490 0.5 1 1473 141 141 TYR N N 121.510 0.5 1 1474 142 142 PRO HA H 4.672 0.03 1 1475 142 142 PRO HB2 H 2.378 0.03 1 1476 142 142 PRO HB3 H 2.378 0.03 1 1477 142 142 PRO HG2 H 2.046 0.03 1 1478 142 142 PRO HG3 H 2.046 0.03 1 1479 142 142 PRO HD2 H 3.767 0.03 1 1480 142 142 PRO HD3 H 3.767 0.03 1 1481 142 142 PRO C C 176.000 0.5 1 1482 142 142 PRO CA C 63.050 0.5 1 1483 142 142 PRO CB C 32.760 0.5 1 1484 142 142 PRO CG C 27.308 0.5 1 1485 143 143 GLY H H 7.860 0.03 1 1486 143 143 GLY HA2 H 3.896 0.03 1 1487 143 143 GLY HA3 H 3.896 0.03 1 1488 143 143 GLY C C 173.065 0.5 1 1489 143 143 GLY CA C 43.680 0.5 1 1490 143 143 GLY N N 108.360 0.5 1 1491 144 144 LYS H H 7.800 0.03 1 1492 144 144 LYS HA H 4.081 0.03 1 1493 144 144 LYS HB2 H 1.764 0.03 1 1494 144 144 LYS HB3 H 1.764 0.03 1 1495 144 144 LYS HG2 H 1.435 0.03 1 1496 144 144 LYS HG3 H 1.435 0.03 1 1497 144 144 LYS HD2 H 1.656 0.03 1 1498 144 144 LYS HD3 H 1.656 0.03 1 1499 144 144 LYS C C 175.875 0.5 1 1500 144 144 LYS CA C 57.730 0.5 1 1501 144 144 LYS CB C 33.170 0.5 1 1502 144 144 LYS CG C 24.623 0.5 1 1503 144 144 LYS CD C 29.175 0.5 1 1504 144 144 LYS CE C 41.899 0.5 1 1505 144 144 LYS N N 119.990 0.5 1 1506 145 145 GLY H H 8.150 0.03 1 1507 145 145 GLY CA C 46.400 0.5 1 1508 145 145 GLY N N 112.830 0.5 1 stop_ save_