data_15326 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 13C, HN and 15N assignments for human chemerin ; _BMRB_accession_number 15326 _BMRB_flat_file_name bmr15326.str _Entry_type original _Submission_date 2007-06-22 _Accession_date 2007-06-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Allen Samantha J. . 2 Handel Tracy M. . 3 Zabel Brian A. . 4 Nietlispach Daniel . . 5 Butcher Eugene C. . 6 Kirkpatrick John . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 122 "13C chemical shifts" 498 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'add PubMed ID' 2008-01-29 update BMRB 'complete entry citation' 2007-09-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of human chemerin, a novel chemoattractant' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636857 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Allen Samantha J. . 2 Zabel Brian A. . 3 Kirkpatrick John . . 4 Butcher Eugene C. . 5 Nietlispach Daniel . . 6 Handel Tracy M. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 171 _Page_last 173 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name chemerin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label chemerin $Chemerin stop_ _System_molecular_weight 16962 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 chemerin stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Chemerin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Chemerin _Molecular_mass 16962 _Mol_thiol_state 'all disulfide bound' _Details ; The mass spec analysis shows that there are 3 S-S bonds formed by the six cysteine residues present in the protein, but which particular cysteines are linked together is not yet known. ; ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; MELTEAQRRGLQVALEEFHK HPPVQWAFQETSVESAVDTP FPAGIFVRLEFKLQQTSCRK RDWKKPECKVRPNGRKRKCL ACIKLGSEDKVLGRLVHCPI ETQVLREAEEHQETQCLRVQ RAGEDPHSFYFPGQFAPHHH HHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 LEU 4 THR 5 GLU 6 ALA 7 GLN 8 ARG 9 ARG 10 GLY 11 LEU 12 GLN 13 VAL 14 ALA 15 LEU 16 GLU 17 GLU 18 PHE 19 HIS 20 LYS 21 HIS 22 PRO 23 PRO 24 VAL 25 GLN 26 TRP 27 ALA 28 PHE 29 GLN 30 GLU 31 THR 32 SER 33 VAL 34 GLU 35 SER 36 ALA 37 VAL 38 ASP 39 THR 40 PRO 41 PHE 42 PRO 43 ALA 44 GLY 45 ILE 46 PHE 47 VAL 48 ARG 49 LEU 50 GLU 51 PHE 52 LYS 53 LEU 54 GLN 55 GLN 56 THR 57 SER 58 CYS 59 ARG 60 LYS 61 ARG 62 ASP 63 TRP 64 LYS 65 LYS 66 PRO 67 GLU 68 CYS 69 LYS 70 VAL 71 ARG 72 PRO 73 ASN 74 GLY 75 ARG 76 LYS 77 ARG 78 LYS 79 CYS 80 LEU 81 ALA 82 CYS 83 ILE 84 LYS 85 LEU 86 GLY 87 SER 88 GLU 89 ASP 90 LYS 91 VAL 92 LEU 93 GLY 94 ARG 95 LEU 96 VAL 97 HIS 98 CYS 99 PRO 100 ILE 101 GLU 102 THR 103 GLN 104 VAL 105 LEU 106 ARG 107 GLU 108 ALA 109 GLU 110 GLU 111 HIS 112 GLN 113 GLU 114 THR 115 GLN 116 CYS 117 LEU 118 ARG 119 VAL 120 GLN 121 ARG 122 ALA 123 GLY 124 GLU 125 ASP 126 PRO 127 HIS 128 SER 129 PHE 130 TYR 131 PHE 132 PRO 133 GLY 134 GLN 135 PHE 136 ALA 137 PRO 138 HIS 139 HIS 140 HIS 141 HIS 142 HIS 143 HIS 144 HIS 145 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAA76499 "type II membrane protein [Homo sapiens]" 93.10 163 100.00 100.00 1.82e-92 DBJ BAG35130 "unnamed protein product [Homo sapiens]" 93.10 163 100.00 100.00 1.82e-92 EMBL CAG46789 "RARRES2 [Homo sapiens]" 93.10 163 100.00 100.00 1.82e-92 EMBL CAG46823 "RARRES2 [Homo sapiens]" 93.10 163 100.00 100.00 1.82e-92 EMBL CAH93115 "hypothetical protein [Pongo abelii]" 93.10 163 98.52 99.26 3.88e-91 GB AAB47975 "tazarotene-induced gene 2 [Homo sapiens]" 93.10 163 100.00 100.00 1.82e-92 GB AAH00069 "Retinoic acid receptor responder (tazarotene induced) 2 [Homo sapiens]" 93.10 163 100.00 100.00 1.82e-92 GB AAS00384 "unknown [Homo sapiens]" 93.10 163 100.00 100.00 1.82e-92 GB AAX36662 "retinoic acid receptor responder 2 [synthetic construct]" 93.10 163 100.00 100.00 1.82e-92 GB AAX37088 "retinoic acid receptor responder 2 [synthetic construct]" 93.10 164 100.00 100.00 1.65e-92 REF NP_001127631 "retinoic acid receptor responder protein 2 precursor [Pongo abelii]" 93.10 163 98.52 99.26 3.88e-91 REF NP_002880 "retinoic acid receptor responder protein 2 precursor [Homo sapiens]" 93.10 163 100.00 100.00 1.82e-92 REF XP_001134678 "PREDICTED: retinoic acid receptor responder protein 2 [Pan troglodytes]" 93.10 163 99.26 100.00 7.30e-92 REF XP_003815095 "PREDICTED: retinoic acid receptor responder protein 2 [Pan paniscus]" 93.10 163 99.26 100.00 7.30e-92 REF XP_004046507 "PREDICTED: retinoic acid receptor responder protein 2 [Gorilla gorilla gorilla]" 93.10 163 100.00 100.00 1.91e-92 SP Q5R551 "RecName: Full=Retinoic acid receptor responder protein 2; AltName: Full=Chemerin; Flags: Precursor" 93.10 163 98.52 99.26 3.88e-91 SP Q99969 "RecName: Full=Retinoic acid receptor responder protein 2; AltName: Full=Chemerin; AltName: Full=RAR-responsive protein TIG2; Al" 93.10 163 100.00 100.00 1.82e-92 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Chemerin Human 9606 Eukaryota Metazoa Homo sapiens 'Tazarotene-induced gene 2' 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 $Chemerin 'recombinant technology' . Escherichia coli TAP302 pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_chemerin _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Chemerin . mM 0.8 1.5 '[U-98% 13C; U-98% 15N]' 'acetic acid' 10 mM . . [U-2H] EDTA 0.1 mM . . [U-2H] stop_ save_ save_15N_chemerin _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Chemerin 0.8 mM '[U-98% 15N]' EDTA 0.1 mM [U-2H] 'acetic acid' 10 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version 2.7 loop_ _Vendor _Address _Electronic_address Boucher 'University of Cambridge, Cambridge, UK' wb104@MOLE.BIO.CAM.AC.UK stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 1.0.14 loop_ _Vendor _Address _Electronic_address CCPN ; University of Cambridge, Cambridge, UK ; . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details 'With cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N_chemerin save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N_chemerin save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C_15N_chemerin save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N_chemerin save_ save_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $13C_15N_chemerin save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.49 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Reference_correction_type _Correction_value DSS C 13 'methyl protons' ppm 0 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.251449 No 0 DSS H 1 'methyl protons' ppm 0 external direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 1 No 0 DSS N 15 'methyl protons' ppm 0 external indirect cylindrical 'separate tube (no insert) similar to the experimental sample tube' parallel 0.101329 No 0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $AZARA $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' CBCANH stop_ loop_ _Sample_label $15N_chemerin $13C_15N_chemerin stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name chemerin _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 C C 171.78 0.000 1 2 1 1 MET CE C 16.97 0.000 1 3 2 2 GLU H H 8.81 0.005 1 4 2 2 GLU C C 175.65 0.000 1 5 2 2 GLU CA C 55.71 0.034 1 6 2 2 GLU CB C 30.33 0.031 1 7 2 2 GLU CG C 35.96 0.017 1 8 2 2 GLU N N 124.39 0.008 1 9 3 3 LEU H H 8.45 0.003 1 10 3 3 LEU C C 178.36 0.000 1 11 3 3 LEU CA C 54.52 0.045 1 12 3 3 LEU CB C 43.37 0.032 1 13 3 3 LEU CD1 C 22.90 0.000 1 14 3 3 LEU CG C 25.89 0.021 1 15 3 3 LEU N N 123.49 0.014 1 16 4 4 THR H H 7.74 0.003 1 17 4 4 THR C C 175.07 0.000 1 18 4 4 THR CA C 60.84 0.018 1 19 4 4 THR CB C 70.89 0.030 1 20 4 4 THR CG2 C 21.57 0.020 1 21 4 4 THR N N 112.47 0.007 1 22 5 5 GLU H H 8.93 0.003 1 23 5 5 GLU C C 179.21 0.000 1 24 5 5 GLU CA C 60.31 0.042 1 25 5 5 GLU CB C 28.99 0.034 1 26 5 5 GLU CG C 36.04 0.015 1 27 5 5 GLU N N 120.62 0.018 1 28 6 6 ALA H H 8.61 0.003 1 29 6 6 ALA C C 179.87 0.000 1 30 6 6 ALA CA C 55.15 0.031 1 31 6 6 ALA CB C 18.30 0.060 1 32 6 6 ALA N N 120.39 0.013 1 33 7 7 GLN H H 7.50 0.003 1 34 7 7 GLN C C 178.08 0.000 1 35 7 7 GLN CA C 58.75 0.025 1 36 7 7 GLN CB C 27.63 0.017 1 37 7 7 GLN CG C 34.47 0.020 1 38 7 7 GLN N N 116.49 0.010 1 39 8 8 ARG H H 8.65 0.003 1 40 8 8 ARG C C 179.46 0.000 1 41 8 8 ARG CA C 60.19 0.043 1 42 8 8 ARG CB C 29.95 0.054 1 43 8 8 ARG CD C 43.28 0.015 1 44 8 8 ARG CG C 28.51 0.010 1 45 8 8 ARG N N 118.88 0.022 1 46 9 9 ARG H H 8.11 0.004 1 47 9 9 ARG C C 179.17 0.000 1 48 9 9 ARG CA C 58.92 0.038 1 49 9 9 ARG CB C 29.51 0.064 1 50 9 9 ARG CD C 43.26 0.016 1 51 9 9 ARG CG C 27.64 0.020 1 52 9 9 ARG N N 119.93 0.006 1 53 10 10 GLY H H 8.89 0.002 1 54 10 10 GLY C C 173.90 0.000 1 55 10 10 GLY CA C 47.09 0.024 1 56 10 10 GLY N N 106.18 0.005 1 57 11 11 LEU H H 8.46 0.004 1 58 11 11 LEU C C 177.60 0.000 1 59 11 11 LEU CA C 57.97 0.016 1 60 11 11 LEU CB C 41.35 0.020 1 61 11 11 LEU CD1 C 22.29 0.018 1 62 11 11 LEU CG C 25.45 0.018 1 63 11 11 LEU N N 122.80 0.006 1 64 12 12 GLN H H 7.61 0.005 1 65 12 12 GLN C C 176.02 0.000 1 66 12 12 GLN CA C 59.45 0.041 1 67 12 12 GLN CB C 28.14 0.018 1 68 12 12 GLN CG C 33.54 0.164 1 69 12 12 GLN N N 117.27 0.009 1 70 13 13 VAL H H 8.14 0.006 1 71 13 13 VAL C C 178.46 0.000 1 72 13 13 VAL CA C 66.08 0.032 1 73 13 13 VAL CB C 31.90 0.038 1 74 13 13 VAL CG1 C 21.64 0.000 1 75 13 13 VAL CG2 C 22.66 0.000 1 76 13 13 VAL N N 119.21 0.080 1 77 14 14 ALA H H 8.52 0.003 1 78 14 14 ALA C C 179.05 0.000 1 79 14 14 ALA CA C 55.09 0.030 1 80 14 14 ALA CB C 18.92 0.020 1 81 14 14 ALA N N 121.44 0.020 1 82 15 15 LEU H H 8.56 0.003 1 83 15 15 LEU C C 180.11 0.000 1 84 15 15 LEU CA C 58.13 0.042 1 85 15 15 LEU CB C 42.43 0.035 1 86 15 15 LEU CD1 C 23.85 0.000 1 87 15 15 LEU CG C 25.94 0.000 1 88 15 15 LEU N N 117.63 0.008 1 89 16 16 GLU H H 8.19 0.004 1 90 16 16 GLU C C 178.66 0.000 1 91 16 16 GLU CA C 59.54 0.063 1 92 16 16 GLU CB C 29.63 0.015 1 93 16 16 GLU CG C 36.29 0.016 1 94 16 16 GLU N N 122.03 0.036 1 95 17 17 GLU H H 8.26 0.004 1 96 17 17 GLU C C 178.83 0.000 1 97 17 17 GLU CA C 58.59 0.032 1 98 17 17 GLU CB C 29.18 0.035 1 99 17 17 GLU CG C 35.73 0.012 1 100 17 17 GLU N N 118.12 0.019 1 101 18 18 PHE H H 8.62 0.006 1 102 18 18 PHE C C 176.17 0.000 1 103 18 18 PHE CA C 61.30 0.089 1 104 18 18 PHE CB C 39.05 0.003 1 105 18 18 PHE N N 118.35 0.055 1 106 19 19 HIS H H 6.98 0.003 1 107 19 19 HIS N N 110.29 0.035 1 108 23 23 PRO C C 176.84 0.000 1 109 23 23 PRO CA C 63.15 0.024 1 110 23 23 PRO CB C 32.00 0.032 1 111 23 23 PRO CD C 50.35 0.000 1 112 23 23 PRO CG C 27.28 0.023 1 113 24 24 VAL H H 8.40 0.009 1 114 24 24 VAL C C 173.82 0.000 1 115 24 24 VAL CA C 55.39 0.076 1 116 24 24 VAL CB C 29.41 0.042 1 117 24 24 VAL N N 117.20 0.013 1 118 25 25 GLN H H 8.27 0.012 1 119 25 25 GLN CA C 56.12 0.000 1 120 25 25 GLN N N 118.82 0.051 1 121 26 26 TRP C C 174.51 0.000 1 122 26 26 TRP CA C 55.68 0.103 1 123 26 26 TRP CB C 32.64 0.000 1 124 27 27 ALA H H 8.57 0.007 1 125 27 27 ALA CA C 51.41 0.000 1 126 27 27 ALA CB C 19.77 0.000 1 127 27 27 ALA N N 118.13 0.042 1 128 28 28 PHE C C 174.82 0.000 1 129 28 28 PHE CA C 57.17 0.014 1 130 28 28 PHE CB C 42.72 0.016 1 131 29 29 GLN H H 8.61 0.006 1 132 29 29 GLN C C 175.36 0.000 1 133 29 29 GLN CA C 53.75 0.072 1 134 29 29 GLN CB C 33.32 0.085 1 135 29 29 GLN CG C 34.51 0.041 1 136 29 29 GLN N N 117.45 0.034 1 137 30 30 GLU H H 9.41 0.005 1 138 30 30 GLU C C 175.75 0.000 1 139 30 30 GLU CA C 56.14 0.008 1 140 30 30 GLU CB C 27.89 0.096 1 141 30 30 GLU CG C 32.67 0.000 1 142 30 30 GLU N N 125.47 0.044 1 143 31 31 THR H H 8.74 0.002 1 144 31 31 THR C C 175.28 0.000 1 145 31 31 THR CA C 61.99 0.079 1 146 31 31 THR CB C 69.08 0.030 1 147 31 31 THR CG2 C 22.87 0.028 1 148 31 31 THR N N 116.91 0.066 1 149 32 32 SER H H 7.50 0.004 1 150 32 32 SER C C 173.05 0.000 1 151 32 32 SER CA C 58.97 0.024 1 152 32 32 SER CB C 64.31 0.051 1 153 32 32 SER N N 114.66 0.020 1 154 33 33 VAL H H 8.51 0.004 1 155 33 33 VAL C C 175.05 0.000 1 156 33 33 VAL CA C 62.67 0.020 1 157 33 33 VAL CB C 33.06 0.068 1 158 33 33 VAL CG1 C 21.00 0.016 1 159 33 33 VAL CG2 C 22.23 0.040 1 160 33 33 VAL N N 121.59 0.045 1 161 34 34 GLU H H 8.82 0.004 1 162 34 34 GLU C C 176.95 0.000 1 163 34 34 GLU CA C 57.68 0.045 1 164 34 34 GLU CB C 31.44 0.038 1 165 34 34 GLU CG C 37.11 0.013 1 166 34 34 GLU N N 126.57 0.019 1 167 35 35 SER H H 8.04 0.003 1 168 35 35 SER C C 172.16 0.000 1 169 35 35 SER CA C 57.90 0.026 1 170 35 35 SER CB C 64.66 0.026 1 171 35 35 SER N N 111.39 0.011 1 172 36 36 ALA H H 8.49 0.003 1 173 36 36 ALA C C 174.49 0.000 1 174 36 36 ALA CA C 52.60 0.025 1 175 36 36 ALA CB C 22.36 0.036 1 176 36 36 ALA N N 126.11 0.007 1 177 37 37 VAL H H 8.38 0.005 1 178 37 37 VAL C C 174.09 0.000 1 179 37 37 VAL CA C 61.31 0.019 1 180 37 37 VAL CB C 36.45 0.022 1 181 37 37 VAL CG1 C 21.20 0.019 1 182 37 37 VAL N N 120.50 0.008 1 183 38 38 ASP H H 8.57 0.003 1 184 38 38 ASP C C 175.60 0.000 1 185 38 38 ASP CA C 53.24 0.048 1 186 38 38 ASP CB C 44.17 0.032 1 187 38 38 ASP N N 124.45 0.009 1 188 39 39 THR H H 9.51 0.003 1 189 39 39 THR CA C 59.68 0.000 1 190 39 39 THR CB C 72.93 0.000 1 191 39 39 THR N N 117.48 0.006 1 192 40 40 PRO C C 174.89 0.000 1 193 40 40 PRO CA C 63.35 0.025 1 194 40 40 PRO CB C 32.26 0.039 1 195 40 40 PRO CD C 51.33 0.000 1 196 40 40 PRO CG C 26.99 0.011 1 197 41 41 PHE H H 8.64 0.005 1 198 41 41 PHE CA C 56.99 0.000 1 199 41 41 PHE CB C 41.10 0.000 1 200 41 41 PHE N N 123.03 0.005 1 201 42 42 PRO C C 178.73 0.000 1 202 42 42 PRO CA C 66.70 0.027 1 203 42 42 PRO CB C 31.29 0.023 1 204 42 42 PRO CG C 28.40 0.000 1 205 43 43 ALA H H 9.52 0.002 1 206 43 43 ALA C C 177.57 0.000 1 207 43 43 ALA CA C 51.92 0.031 1 208 43 43 ALA CB C 18.83 0.055 1 209 43 43 ALA N N 116.20 0.007 1 210 44 44 GLY H H 7.50 0.003 1 211 44 44 GLY C C 171.63 0.000 1 212 44 44 GLY CA C 45.44 0.031 1 213 44 44 GLY N N 103.64 0.003 1 214 45 45 ILE H H 8.56 0.004 1 215 45 45 ILE C C 175.33 0.000 1 216 45 45 ILE CA C 60.77 0.029 1 217 45 45 ILE CB C 40.82 0.057 1 218 45 45 ILE CD1 C 13.02 0.014 1 219 45 45 ILE CG1 C 28.13 0.029 1 220 45 45 ILE CG2 C 18.38 0.018 1 221 45 45 ILE N N 119.42 0.005 1 222 46 46 PHE H H 9.26 0.003 1 223 46 46 PHE C C 172.79 0.000 1 224 46 46 PHE CA C 56.27 0.032 1 225 46 46 PHE CB C 42.36 0.020 1 226 46 46 PHE N N 127.71 0.022 1 227 47 47 VAL H H 9.10 0.003 1 228 47 47 VAL C C 173.03 0.000 1 229 47 47 VAL CA C 60.47 0.044 1 230 47 47 VAL CB C 35.12 0.060 1 231 47 47 VAL CG1 C 20.97 0.012 1 232 47 47 VAL CG2 C 22.32 0.017 1 233 47 47 VAL N N 128.34 0.008 1 234 48 48 ARG H H 8.35 0.003 1 235 48 48 ARG C C 175.90 0.000 1 236 48 48 ARG CA C 54.49 0.047 1 237 48 48 ARG CB C 32.79 0.048 1 238 48 48 ARG CD C 43.75 0.000 1 239 48 48 ARG CG C 28.13 0.000 1 240 48 48 ARG N N 125.57 0.007 1 241 49 49 LEU H H 9.48 0.005 1 242 49 49 LEU C C 175.38 0.000 1 243 49 49 LEU CA C 53.49 0.038 1 244 49 49 LEU CB C 48.53 0.033 1 245 49 49 LEU N N 127.81 0.009 1 246 50 50 GLU H H 8.77 0.003 1 247 50 50 GLU C C 176.02 0.000 1 248 50 50 GLU CA C 55.37 0.061 1 249 50 50 GLU CB C 32.53 0.034 1 250 50 50 GLU CG C 37.13 0.023 1 251 50 50 GLU N N 118.80 0.010 1 252 51 51 PHE H H 8.44 0.008 1 253 51 51 PHE C C 171.61 0.000 1 254 51 51 PHE CA C 55.59 0.020 1 255 51 51 PHE CB C 41.14 0.045 1 256 51 51 PHE N N 118.71 0.033 1 257 52 52 LYS H H 8.91 0.005 1 258 52 52 LYS C C 175.62 0.000 1 259 52 52 LYS CA C 55.34 0.007 1 260 52 52 LYS CB C 35.11 0.011 1 261 52 52 LYS CD C 29.27 0.000 1 262 52 52 LYS CE C 42.03 0.000 1 263 52 52 LYS CG C 25.89 0.000 1 264 52 52 LYS N N 119.79 0.016 1 265 53 53 LEU H H 8.55 0.005 1 266 53 53 LEU C C 176.84 0.000 1 267 53 53 LEU CA C 52.72 0.084 1 268 53 53 LEU CB C 47.80 0.025 1 269 53 53 LEU CD1 C 23.53 0.022 1 270 53 53 LEU CG C 25.66 0.000 1 271 53 53 LEU N N 118.91 0.044 1 272 54 54 GLN H H 9.28 0.004 1 273 54 54 GLN C C 174.15 0.000 1 274 54 54 GLN CA C 55.29 0.038 1 275 54 54 GLN CB C 33.06 0.031 1 276 54 54 GLN CG C 34.33 0.012 1 277 54 54 GLN N N 119.96 0.022 1 278 55 55 GLN H H 8.30 0.006 1 279 55 55 GLN C C 174.68 0.000 1 280 55 55 GLN CA C 57.33 0.052 1 281 55 55 GLN CB C 31.21 0.064 1 282 55 55 GLN CG C 32.34 0.003 1 283 55 55 GLN N N 126.79 0.022 1 284 56 56 THR H H 8.23 0.006 1 285 56 56 THR C C 174.12 0.000 1 286 56 56 THR CA C 61.04 0.082 1 287 56 56 THR CB C 72.65 0.026 1 288 56 56 THR N N 114.65 0.050 1 289 57 57 SER H H 8.08 0.004 1 290 57 57 SER C C 174.85 0.000 1 291 57 57 SER CA C 58.64 0.047 1 292 57 57 SER CB C 63.36 0.023 1 293 57 57 SER N N 109.04 0.055 1 294 58 58 CYS H H 8.67 0.008 1 295 58 58 CYS C C 174.76 0.000 1 296 58 58 CYS CA C 54.05 0.037 1 297 58 58 CYS CB C 44.52 0.016 1 298 58 58 CYS N N 119.56 0.007 1 299 59 59 ARG H H 9.40 0.003 1 300 59 59 ARG C C 177.91 0.000 1 301 59 59 ARG CA C 55.87 0.055 1 302 59 59 ARG CB C 30.35 0.094 1 303 59 59 ARG N N 120.88 0.008 1 304 60 60 LYS H H 7.72 0.005 1 305 60 60 LYS C C 176.82 0.000 1 306 60 60 LYS CA C 61.32 0.048 1 307 60 60 LYS CB C 31.94 0.037 1 308 60 60 LYS CG C 23.32 0.000 1 309 60 60 LYS N N 120.28 0.045 1 310 61 61 ARG H H 8.39 0.003 1 311 61 61 ARG C C 176.90 0.000 1 312 61 61 ARG CA C 58.13 0.042 1 313 61 61 ARG CB C 29.45 0.031 1 314 61 61 ARG CD C 43.53 0.013 1 315 61 61 ARG CG C 26.21 0.013 1 316 61 61 ARG N N 114.81 0.042 1 317 62 62 ASP H H 7.86 0.002 1 318 62 62 ASP C C 175.92 0.000 1 319 62 62 ASP CA C 54.50 0.059 1 320 62 62 ASP CB C 41.76 0.054 1 321 62 62 ASP N N 119.10 0.014 1 322 63 63 TRP H H 7.45 0.011 1 323 63 63 TRP C C 176.28 0.000 1 324 63 63 TRP CA C 59.98 0.045 1 325 63 63 TRP CB C 27.41 0.038 1 326 63 63 TRP N N 115.84 0.045 1 327 64 64 LYS H H 7.66 0.005 1 328 64 64 LYS C C 177.61 0.000 1 329 64 64 LYS CA C 56.70 0.055 1 330 64 64 LYS CB C 31.85 0.024 1 331 64 64 LYS CD C 29.02 0.000 1 332 64 64 LYS CE C 41.71 0.000 1 333 64 64 LYS CG C 23.56 0.029 1 334 64 64 LYS N N 118.58 0.013 1 335 65 65 LYS H H 8.06 0.003 1 336 65 65 LYS CA C 55.82 0.000 1 337 65 65 LYS CB C 31.32 0.000 1 338 65 65 LYS N N 121.54 0.032 1 339 66 66 PRO C C 177.64 0.000 1 340 66 66 PRO CA C 64.35 0.038 1 341 66 66 PRO CB C 31.77 0.041 1 342 66 66 PRO CG C 27.25 0.000 1 343 67 67 GLU H H 8.75 0.004 1 344 67 67 GLU C C 176.85 0.000 1 345 67 67 GLU CA C 57.66 0.026 1 346 67 67 GLU CB C 28.67 0.031 1 347 67 67 GLU CG C 36.03 0.017 1 348 67 67 GLU N N 114.60 0.028 1 349 68 68 CYS H H 7.26 0.003 1 350 68 68 CYS C C 173.75 0.000 1 351 68 68 CYS CA C 56.42 0.036 1 352 68 68 CYS CB C 40.10 0.056 1 353 68 68 CYS N N 119.51 0.013 1 354 69 69 LYS H H 8.36 0.005 1 355 69 69 LYS C C 177.00 0.000 1 356 69 69 LYS CA C 54.26 0.050 1 357 69 69 LYS CB C 35.19 0.024 1 358 69 69 LYS CD C 28.88 0.000 1 359 69 69 LYS CE C 42.23 0.000 1 360 69 69 LYS CG C 24.22 0.000 1 361 69 69 LYS N N 122.19 0.021 1 362 70 70 VAL H H 8.57 0.004 1 363 70 70 VAL C C 176.00 0.000 1 364 70 70 VAL CA C 63.62 0.012 1 365 70 70 VAL CB C 32.47 0.040 1 366 70 70 VAL CG1 C 21.50 0.000 1 367 70 70 VAL CG2 C 22.06 0.051 1 368 70 70 VAL N N 120.89 0.030 1 369 71 71 ARG H H 8.73 0.003 1 370 71 71 ARG CA C 52.77 0.000 1 371 71 71 ARG CB C 30.80 0.000 1 372 71 71 ARG N N 126.52 0.019 1 373 72 72 PRO C C 177.05 0.000 1 374 72 72 PRO CA C 64.61 0.024 1 375 72 72 PRO CB C 31.77 0.010 1 376 72 72 PRO CD C 50.99 0.000 1 377 72 72 PRO CG C 27.52 0.001 1 378 73 73 ASN H H 8.38 0.004 1 379 73 73 ASN C C 175.52 0.000 1 380 73 73 ASN CA C 52.71 0.052 1 381 73 73 ASN CB C 37.48 0.021 1 382 73 73 ASN N N 114.14 0.019 1 383 74 74 GLY H H 7.83 0.006 1 384 74 74 GLY C C 172.70 0.000 1 385 74 74 GLY CA C 44.89 0.030 1 386 74 74 GLY N N 105.38 0.018 1 387 75 75 ARG H H 8.09 0.003 1 388 75 75 ARG C C 175.42 0.000 1 389 75 75 ARG CA C 57.10 0.042 1 390 75 75 ARG CB C 31.29 0.028 1 391 75 75 ARG CD C 43.50 0.000 1 392 75 75 ARG CG C 27.26 0.011 1 393 75 75 ARG N N 119.63 0.021 1 394 76 76 LYS H H 8.64 0.003 1 395 76 76 LYS C C 176.44 0.000 1 396 76 76 LYS CA C 55.58 0.073 1 397 76 76 LYS CB C 35.59 0.038 1 398 76 76 LYS CD C 29.60 0.025 1 399 76 76 LYS CE C 42.01 0.000 1 400 76 76 LYS CG C 25.68 0.016 1 401 76 76 LYS N N 121.60 0.043 1 402 77 77 ARG H H 8.77 0.006 1 403 77 77 ARG C C 174.06 0.000 1 404 77 77 ARG CA C 53.93 0.062 1 405 77 77 ARG CB C 34.35 0.037 1 406 77 77 ARG CD C 43.00 0.007 1 407 77 77 ARG CG C 28.58 0.004 1 408 77 77 ARG N N 118.78 0.012 1 409 78 78 LYS H H 8.29 0.013 1 410 78 78 LYS C C 175.06 0.000 1 411 78 78 LYS CA C 55.28 0.153 1 412 78 78 LYS CB C 34.35 0.022 1 413 78 78 LYS CE C 41.98 0.016 1 414 78 78 LYS CG C 24.90 0.025 1 415 78 78 LYS N N 122.76 0.015 1 416 79 79 CYS H H 8.68 0.005 1 417 79 79 CYS C C 173.92 0.000 1 418 79 79 CYS CA C 55.29 0.077 1 419 79 79 CYS CB C 46.57 0.046 1 420 79 79 CYS N N 119.94 0.008 1 421 80 80 LEU H H 8.74 0.003 1 422 80 80 LEU C C 174.66 0.000 1 423 80 80 LEU CA C 54.03 0.023 1 424 80 80 LEU CB C 45.21 0.049 1 425 80 80 LEU CD1 C 22.85 0.000 1 426 80 80 LEU CG C 26.17 0.015 1 427 80 80 LEU N N 124.13 0.020 1 428 81 81 ALA H H 9.40 0.004 1 429 81 81 ALA C C 174.92 0.000 1 430 81 81 ALA CA C 49.84 0.025 1 431 81 81 ALA CB C 23.68 0.040 1 432 81 81 ALA N N 125.40 0.011 1 433 82 82 CYS H H 9.22 0.003 1 434 82 82 CYS C C 172.28 0.000 1 435 82 82 CYS CA C 54.02 0.055 1 436 82 82 CYS CB C 48.07 0.041 1 437 82 82 CYS N N 120.26 0.017 1 438 83 83 ILE H H 9.32 0.004 1 439 83 83 ILE C C 172.85 0.000 1 440 83 83 ILE CA C 58.95 0.021 1 441 83 83 ILE CB C 41.86 0.013 1 442 83 83 ILE CD1 C 12.95 0.027 1 443 83 83 ILE CG1 C 26.79 0.000 1 444 83 83 ILE CG2 C 19.20 0.016 1 445 83 83 ILE N N 124.54 0.012 1 446 84 84 LYS H H 8.46 0.005 1 447 84 84 LYS C C 174.48 0.000 1 448 84 84 LYS CA C 53.32 0.020 1 449 84 84 LYS CB C 34.40 0.026 1 450 84 84 LYS CD C 30.01 0.000 1 451 84 84 LYS CE C 42.34 0.077 1 452 84 84 LYS CG C 25.39 0.014 1 453 84 84 LYS N N 127.05 0.012 1 454 85 85 LEU H H 9.43 0.003 1 455 85 85 LEU C C 176.62 0.000 1 456 85 85 LEU CA C 54.26 0.048 1 457 85 85 LEU CB C 43.38 0.032 1 458 85 85 LEU CD1 C 23.86 0.016 1 459 85 85 LEU CG C 26.44 0.009 1 460 85 85 LEU N N 129.96 0.013 1 461 86 86 GLY H H 8.65 0.007 1 462 86 86 GLY C C 173.89 0.000 1 463 86 86 GLY CA C 43.89 0.029 1 464 86 86 GLY N N 109.02 0.008 1 465 87 87 SER H H 8.46 0.005 1 466 87 87 SER C C 174.83 0.000 1 467 87 87 SER CA C 58.95 0.029 1 468 87 87 SER CB C 63.79 0.030 1 469 87 87 SER N N 115.64 0.012 1 470 88 88 GLU H H 8.98 0.003 1 471 88 88 GLU C C 175.44 0.000 1 472 88 88 GLU CA C 57.88 0.039 1 473 88 88 GLU CB C 27.37 0.042 1 474 88 88 GLU CG C 36.58 0.018 1 475 88 88 GLU N N 117.41 0.013 1 476 89 89 ASP H H 8.45 0.003 1 477 89 89 ASP C C 175.71 0.000 1 478 89 89 ASP CA C 54.88 0.009 1 479 89 89 ASP CB C 39.78 0.014 1 480 89 89 ASP N N 115.17 0.026 1 481 90 90 LYS H H 7.62 0.003 1 482 90 90 LYS C C 176.77 0.000 1 483 90 90 LYS CA C 56.87 0.025 1 484 90 90 LYS CB C 33.74 0.035 1 485 90 90 LYS CD C 27.16 0.000 1 486 90 90 LYS CE C 42.23 0.013 1 487 90 90 LYS CG C 25.23 0.021 1 488 90 90 LYS N N 118.89 0.007 1 489 91 91 VAL H H 8.82 0.003 1 490 91 91 VAL C C 176.19 0.000 1 491 91 91 VAL CA C 62.87 0.026 1 492 91 91 VAL CB C 32.60 0.034 1 493 91 91 VAL CG1 C 22.02 0.015 1 494 91 91 VAL N N 124.46 0.014 1 495 92 92 LEU H H 8.94 0.002 1 496 92 92 LEU C C 177.20 0.000 1 497 92 92 LEU CA C 55.59 0.017 1 498 92 92 LEU CB C 42.63 0.024 1 499 92 92 LEU CD1 C 22.54 0.021 1 500 92 92 LEU CD2 C 27.15 0.025 1 501 92 92 LEU CG C 25.87 0.014 1 502 92 92 LEU N N 127.01 0.006 1 503 93 93 GLY H H 7.57 0.003 1 504 93 93 GLY C C 170.91 0.000 1 505 93 93 GLY CA C 45.81 0.021 1 506 93 93 GLY N N 103.67 0.015 1 507 94 94 ARG H H 8.95 0.003 1 508 94 94 ARG C C 172.94 0.000 1 509 94 94 ARG CA C 55.61 0.030 1 510 94 94 ARG CB C 33.36 0.025 1 511 94 94 ARG CD C 43.73 0.030 1 512 94 94 ARG CG C 26.17 0.017 1 513 94 94 ARG N N 118.94 0.010 1 514 95 95 LEU H H 8.65 0.003 1 515 95 95 LEU C C 175.20 0.000 1 516 95 95 LEU CA C 54.87 0.020 1 517 95 95 LEU CB C 45.13 0.034 1 518 95 95 LEU CG C 24.89 0.020 1 519 95 95 LEU N N 124.71 0.007 1 520 96 96 VAL H H 9.07 0.003 1 521 96 96 VAL C C 173.70 0.000 1 522 96 96 VAL CA C 62.09 0.030 1 523 96 96 VAL CB C 34.80 0.043 1 524 96 96 VAL CG1 C 21.39 0.002 1 525 96 96 VAL N N 125.68 0.019 1 526 97 97 HIS H H 9.14 0.005 1 527 97 97 HIS C C 173.47 0.000 1 528 97 97 HIS CA C 55.11 0.049 1 529 97 97 HIS CB C 32.43 0.042 1 530 97 97 HIS N N 128.42 0.081 1 531 98 98 CYS H H 8.99 0.008 1 532 98 98 CYS N N 124.32 0.011 1 533 99 99 PRO C C 179.29 0.000 1 534 99 99 PRO CA C 62.56 0.038 1 535 100 100 ILE H H 8.15 0.006 1 536 100 100 ILE C C 177.51 0.000 1 537 100 100 ILE CA C 61.79 0.053 1 538 100 100 ILE CB C 38.21 0.060 1 539 100 100 ILE CD1 C 12.49 0.000 1 540 100 100 ILE CG1 C 28.01 0.008 1 541 100 100 ILE CG2 C 17.60 0.013 1 542 100 100 ILE N N 119.02 0.074 1 543 101 101 GLU H H 8.52 0.003 1 544 101 101 GLU C C 176.34 0.000 1 545 101 101 GLU CA C 58.40 0.036 1 546 101 101 GLU CB C 30.21 0.028 1 547 101 101 GLU CG C 36.49 0.008 1 548 101 101 GLU N N 125.26 0.063 1 549 102 102 THR H H 7.77 0.002 1 550 102 102 THR C C 174.48 0.000 1 551 102 102 THR CA C 61.59 0.012 1 552 102 102 THR CB C 69.43 0.017 1 553 102 102 THR CG2 C 21.80 0.016 1 554 102 102 THR N N 112.04 0.022 1 555 103 103 GLN H H 8.17 0.003 1 556 103 103 GLN C C 175.67 0.000 1 557 103 103 GLN CA C 56.07 0.038 1 558 103 103 GLN CB C 29.24 0.021 1 559 103 103 GLN CG C 33.92 0.057 1 560 103 103 GLN N N 120.83 0.012 1 561 104 104 VAL H H 7.94 0.005 1 562 104 104 VAL C C 175.93 0.000 1 563 104 104 VAL CA C 62.59 0.023 1 564 104 104 VAL CB C 32.54 0.044 1 565 104 104 VAL CG1 C 21.06 0.026 1 566 104 104 VAL N N 120.68 0.014 1 567 105 105 LEU H H 8.37 0.002 1 568 105 105 LEU C C 177.38 0.000 1 569 105 105 LEU CA C 54.95 0.035 1 570 105 105 LEU CB C 42.60 0.030 1 571 105 105 LEU CD1 C 23.62 0.015 1 572 105 105 LEU CD2 C 24.92 0.017 1 573 105 105 LEU CG C 26.99 0.000 1 574 105 105 LEU N N 126.31 0.024 1 575 106 106 ARG H H 8.53 0.002 1 576 106 106 ARG C C 177.12 0.000 1 577 106 106 ARG CA C 57.38 0.035 1 578 106 106 ARG CB C 30.45 0.029 1 579 106 106 ARG CD C 43.26 0.015 1 580 106 106 ARG CG C 26.99 0.027 1 581 106 106 ARG N N 122.60 0.019 1 582 107 107 GLU H H 8.66 0.003 1 583 107 107 GLU C C 177.13 0.000 1 584 107 107 GLU CA C 57.93 0.029 1 585 107 107 GLU CB C 29.71 0.024 1 586 107 107 GLU CG C 36.26 0.016 1 587 107 107 GLU N N 119.74 0.014 1 588 108 108 ALA H H 7.94 0.003 1 589 108 108 ALA C C 178.85 0.000 1 590 108 108 ALA CA C 53.52 0.024 1 591 108 108 ALA CB C 19.00 0.045 1 592 108 108 ALA N N 122.34 0.020 1 593 109 109 GLU H H 8.17 0.003 1 594 109 109 GLU C C 177.76 0.000 1 595 109 109 GLU CA C 57.88 0.042 1 596 109 109 GLU CB C 29.94 0.005 1 597 109 109 GLU CG C 36.28 0.013 1 598 109 109 GLU N N 119.14 0.012 1 599 110 110 GLU H H 8.37 0.003 1 600 110 110 GLU C C 178.04 0.000 1 601 110 110 GLU CA C 58.33 0.040 1 602 110 110 GLU CB C 29.67 0.040 1 603 110 110 GLU CG C 36.04 0.020 1 604 110 110 GLU N N 120.02 0.038 1 605 111 111 HIS H H 8.28 0.005 1 606 111 111 HIS C C 176.62 0.000 1 607 111 111 HIS CA C 57.40 0.051 1 608 111 111 HIS CB C 28.69 0.082 1 609 111 111 HIS N N 117.41 0.039 1 610 112 112 GLN H H 8.19 0.004 1 611 112 112 GLN C C 177.58 0.000 1 612 112 112 GLN CA C 57.90 0.022 1 613 112 112 GLN CB C 27.92 0.039 1 614 112 112 GLN CG C 33.24 0.018 1 615 112 112 GLN N N 118.22 0.011 1 616 113 113 GLU H H 8.39 0.005 1 617 113 113 GLU C C 179.46 0.000 1 618 113 113 GLU CA C 59.25 0.030 1 619 113 113 GLU CB C 28.71 0.022 1 620 113 113 GLU CG C 35.47 0.014 1 621 113 113 GLU N N 119.79 0.013 1 622 114 114 THR H H 8.10 0.003 1 623 114 114 THR C C 177.06 0.000 1 624 114 114 THR CA C 66.20 0.042 1 625 114 114 THR CB C 68.51 0.037 1 626 114 114 THR CG2 C 22.00 0.021 1 627 114 114 THR N N 114.95 0.014 1 628 115 115 GLN H H 7.93 0.004 1 629 115 115 GLN C C 178.57 0.000 1 630 115 115 GLN CA C 58.90 0.035 1 631 115 115 GLN CB C 28.53 0.029 1 632 115 115 GLN CG C 33.91 0.031 1 633 115 115 GLN N N 120.32 0.011 1 634 116 116 CYS H H 8.48 0.003 1 635 116 116 CYS C C 176.03 0.000 1 636 116 116 CYS N N 118.96 0.037 1 637 117 117 LEU H H 7.87 0.002 1 638 117 117 LEU C C 179.23 0.000 1 639 117 117 LEU CA C 57.69 0.027 1 640 117 117 LEU CB C 41.31 0.037 1 641 117 117 LEU CD1 C 23.32 0.023 1 642 117 117 LEU CD2 C 24.60 0.029 1 643 117 117 LEU CG C 26.78 0.000 1 644 117 117 LEU N N 118.88 0.008 1 645 118 118 ARG H H 7.52 0.006 1 646 118 118 ARG C C 179.49 0.000 1 647 118 118 ARG CA C 59.45 0.042 1 648 118 118 ARG CB C 29.44 0.035 1 649 118 118 ARG CD C 43.44 0.002 1 650 118 118 ARG CG C 27.67 0.020 1 651 118 118 ARG N N 118.03 0.008 1 652 119 119 VAL H H 7.53 0.004 1 653 119 119 VAL C C 177.58 0.000 1 654 119 119 VAL CA C 66.28 0.031 1 655 119 119 VAL CB C 31.43 0.039 1 656 119 119 VAL CG1 C 22.92 0.029 1 657 119 119 VAL N N 119.49 0.024 1 658 120 120 GLN H H 7.50 0.007 1 659 120 120 GLN C C 176.89 0.000 1 660 120 120 GLN CA C 59.99 0.020 1 661 120 120 GLN CB C 28.35 0.044 1 662 120 120 GLN CG C 33.37 0.019 1 663 120 120 GLN N N 117.31 0.024 1 664 121 121 ARG H H 6.96 0.006 1 665 121 121 ARG C C 176.09 0.000 1 666 121 121 ARG CA C 55.51 0.036 1 667 121 121 ARG CB C 29.98 0.025 1 668 121 121 ARG CD C 43.03 0.016 1 669 121 121 ARG CG C 27.04 0.028 1 670 121 121 ARG N N 113.03 0.008 1 671 122 122 ALA H H 7.51 0.003 1 672 122 122 ALA C C 178.93 0.000 1 673 122 122 ALA CA C 54.05 0.011 1 674 122 122 ALA CB C 18.01 0.057 1 675 122 122 ALA N N 125.04 0.008 1 676 123 123 GLY H H 8.99 0.004 1 677 123 123 GLY C C 173.70 0.000 1 678 123 123 GLY CA C 45.51 0.026 1 679 123 123 GLY N N 110.75 0.010 1 680 124 124 GLU H H 7.45 0.004 1 681 124 124 GLU C C 176.60 0.000 1 682 124 124 GLU CA C 54.48 0.042 1 683 124 124 GLU CB C 29.45 0.017 1 684 124 124 GLU CG C 34.77 0.019 1 685 124 124 GLU N N 115.56 0.007 1 686 125 125 ASP H H 8.98 0.003 1 687 125 125 ASP CA C 51.97 0.000 1 688 125 125 ASP CB C 41.83 0.000 1 689 125 125 ASP N N 123.16 0.007 1 690 126 126 PRO C C 177.60 0.000 1 691 126 126 PRO CA C 64.10 0.021 1 692 126 126 PRO CB C 32.06 0.022 1 693 126 126 PRO CD C 51.10 0.010 1 694 126 126 PRO CG C 27.06 0.041 1 695 127 127 HIS H H 8.61 0.007 1 696 127 127 HIS C C 175.13 0.000 1 697 127 127 HIS CA C 56.35 0.124 1 698 127 127 HIS CB C 28.36 0.025 1 699 127 127 HIS N N 115.09 0.018 1 700 128 128 SER H H 7.91 0.003 1 701 128 128 SER C C 173.98 0.000 1 702 128 128 SER CA C 58.68 0.047 1 703 128 128 SER CB C 64.31 0.022 1 704 128 128 SER N N 113.88 0.008 1 705 129 129 PHE H H 7.92 0.003 1 706 129 129 PHE C C 174.69 0.000 1 707 129 129 PHE CA C 57.85 0.016 1 708 129 129 PHE CB C 39.52 0.014 1 709 129 129 PHE N N 121.31 0.011 1 710 130 130 TYR H H 7.73 0.002 1 711 130 130 TYR C C 174.79 0.000 1 712 130 130 TYR CA C 57.86 0.160 1 713 130 130 TYR CB C 39.26 0.012 1 714 130 130 TYR N N 120.82 0.010 1 715 131 131 PHE H H 7.71 0.001 1 716 131 131 PHE CA C 57.33 0.000 1 717 131 131 PHE CB C 39.11 0.000 1 718 131 131 PHE N N 119.59 0.032 1 719 132 132 PRO C C 177.44 0.000 1 720 132 132 PRO CA C 63.64 0.026 1 721 132 132 PRO CB C 31.77 0.017 1 722 132 132 PRO CD C 50.54 0.018 1 723 132 132 PRO CG C 27.31 0.028 1 724 133 133 GLY H H 8.12 0.003 1 725 133 133 GLY C C 174.27 0.000 1 726 133 133 GLY CA C 45.46 0.032 1 727 133 133 GLY N N 108.27 0.008 1 728 134 134 GLN H H 7.95 0.003 1 729 134 134 GLN C C 175.61 0.000 1 730 134 134 GLN CA C 56.33 0.035 1 731 134 134 GLN CB C 29.41 0.090 1 732 134 134 GLN CG C 33.55 0.014 1 733 134 134 GLN N N 118.93 0.003 1 734 135 135 PHE H H 8.17 0.003 1 735 135 135 PHE C C 174.86 0.000 1 736 135 135 PHE CA C 57.19 0.025 1 737 135 135 PHE CB C 39.53 0.014 1 738 135 135 PHE N N 119.45 0.017 1 739 136 136 ALA H H 8.00 0.003 1 740 136 136 ALA CA C 50.33 0.000 1 741 136 136 ALA CB C 18.54 0.000 1 742 136 136 ALA N N 125.92 0.017 1 stop_ save_