data_17943 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N NMR assignment of CGC-19, a single domain proteic constituent of a non ribosomal peptide synthetase. ; _BMRB_accession_number 17943 _BMRB_flat_file_name bmr17943.str _Entry_type original _Submission_date 2011-09-15 _Accession_date 2011-09-15 _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 Nogaret Sophie . . 2 Guittet Eric . . 3 Birlirakis Nicolas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 675 "13C chemical shifts" 540 "15N chemical shifts" 135 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-03-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_CGC-19_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N NMR assignment of CGC-19, a single domain proteic constituent of a non ribosomal peptide synthetase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22419055 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nogaret Sophie . . 2 Guittet Eric . . 3 Birlirakis Nicolas . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1 _Page_last 4 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CGC-19 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CGC-19 major form' $CGC-19 'CGC-19 minor form' $CGC-19 stop_ _System_molecular_weight 13790 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Monomeric protein' save_ ######################## # Monomeric polymers # ######################## save_CGC-19 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CGC-19 _Molecular_mass 13790 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 127 _Mol_residue_sequence ; GIDPFTMTNHADNPTTHVWA TLADREAEHLTGDAEAAAEV VRGIWAEVLEADAESIDVHR GDFFELGGYSLLALQAIGRI LTEYGVGEVESVEWEGELLN RLFENATPMGQAEFLAEKGY GRPNETP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 ASP 4 PRO 5 PHE 6 THR 7 MET 8 THR 9 ASN 10 HIS 11 ALA 12 ASP 13 ASN 14 PRO 15 THR 16 THR 17 HIS 18 VAL 19 TRP 20 ALA 21 THR 22 LEU 23 ALA 24 ASP 25 ARG 26 GLU 27 ALA 28 GLU 29 HIS 30 LEU 31 THR 32 GLY 33 ASP 34 ALA 35 GLU 36 ALA 37 ALA 38 ALA 39 GLU 40 VAL 41 VAL 42 ARG 43 GLY 44 ILE 45 TRP 46 ALA 47 GLU 48 VAL 49 LEU 50 GLU 51 ALA 52 ASP 53 ALA 54 GLU 55 SER 56 ILE 57 ASP 58 VAL 59 HIS 60 ARG 61 GLY 62 ASP 63 PHE 64 PHE 65 GLU 66 LEU 67 GLY 68 GLY 69 TYR 70 SER 71 LEU 72 LEU 73 ALA 74 LEU 75 GLN 76 ALA 77 ILE 78 GLY 79 ARG 80 ILE 81 LEU 82 THR 83 GLU 84 TYR 85 GLY 86 VAL 87 GLY 88 GLU 89 VAL 90 GLU 91 SER 92 VAL 93 GLU 94 TRP 95 GLU 96 GLY 97 GLU 98 LEU 99 LEU 100 ASN 101 ARG 102 LEU 103 PHE 104 GLU 105 ASN 106 ALA 107 THR 108 PRO 109 MET 110 GLY 111 GLN 112 ALA 113 GLU 114 PHE 115 LEU 116 ALA 117 GLU 118 LYS 119 GLY 120 TYR 121 GLY 122 ARG 123 PRO 124 ASN 125 GLU 126 THR 127 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 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 EMBL CAJ88609 "putative nonribosomal peptide synthetase [Streptomyces ambofaciens ATCC 23877]" 95.28 121 100.00 100.00 9.20e-80 GB AKZ59720 "putative nonribosomal peptide synthetase PCP domain [Streptomyces ambofaciens ATCC 23877]" 95.28 121 100.00 100.00 9.20e-80 REF WP_053140600 "hypothetical protein [Streptomyces ambofaciens]" 95.28 121 100.00 100.00 9.20e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CGC-19 'Streptomyces ambofaciens' 1889 Bacteria . Streptomyces ambofaciens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $CGC-19 'recombinant technology' . Escherichia coli BL21 star pET151/D-TOPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_CGC-19 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CGC-19 0.5 mM '[U-13C; U-15N]' stop_ save_ save_sample_CGC-19a _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CGC-19 0.5 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 800 _Details '5mm TCI z-gradient cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_CGC-19 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_CGC-19a save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_CGC-19 save_ save_3D_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_CGC-19 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_CGC-19 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_CGC-19 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_CGC-19 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_CGC-19 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_CGC-19 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_CGC-19 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_CGC-19 save_ save_3D_(H)C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH' _Sample_label $sample_CGC-19 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_CGC-19a save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_CGC-19 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_CGC-19a save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_CGC-19_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 90 . mM pH 5.6 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_CGC-19a_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 90 . mM pH 5.6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct cylindrical 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_Assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D H(CCO)NH' '3D (H)C(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_CGC-19 $sample_CGC-19a stop_ _Sample_conditions_label $CGC-19_sample_conditions _Chem_shift_reference_set_label $Chemical_shift_reference _Mol_system_component_name 'CGC-19 major form' _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 GLY HA2 H 3.860 0.020 2 2 1 1 GLY HA3 H 3.210 0.020 2 3 1 1 GLY C C 170.000 0.200 1 4 1 1 GLY CA C 43.300 0.200 1 5 2 2 ILE H H 8.450 0.020 1 6 2 2 ILE HA H 4.200 0.020 1 7 2 2 ILE HB H 1.800 0.020 1 8 2 2 ILE HG12 H 1.430 0.020 2 9 2 2 ILE HG13 H 1.140 0.020 2 10 2 2 ILE HG2 H 0.850 0.020 1 11 2 2 ILE HD1 H 0.850 0.020 1 12 2 2 ILE C C 175.700 0.200 1 13 2 2 ILE CA C 61.000 0.200 1 14 2 2 ILE CB C 39.100 0.200 1 15 2 2 ILE CG1 C 27.000 0.200 1 16 2 2 ILE CG2 C 17.600 0.200 1 17 2 2 ILE CD1 C 13.400 0.200 1 18 2 2 ILE N N 119.800 0.200 1 19 3 3 ASP H H 8.460 0.020 1 20 3 3 ASP HA H 4.890 0.020 1 21 3 3 ASP HB2 H 2.790 0.020 2 22 3 3 ASP HB3 H 2.580 0.020 2 23 3 3 ASP C C 175.000 0.200 1 24 3 3 ASP CA C 52.000 0.200 1 25 3 3 ASP CB C 41.500 0.200 1 26 3 3 ASP CG C 180.200 0.200 1 27 3 3 ASP N N 126.600 0.200 1 28 4 4 PRO HA H 4.330 0.020 1 29 4 4 PRO HB2 H 2.170 0.020 2 30 4 4 PRO HB3 H 1.650 0.020 2 31 4 4 PRO HG2 H 1.910 0.020 2 32 4 4 PRO HG3 H 1.750 0.020 2 33 4 4 PRO HD2 H 3.890 0.020 2 34 4 4 PRO HD3 H 3.780 0.020 2 35 4 4 PRO C C 177.200 0.200 1 36 4 4 PRO CA C 63.800 0.200 1 37 4 4 PRO CB C 32.000 0.200 1 38 4 4 PRO CG C 27.200 0.200 1 39 4 4 PRO CD C 51.000 0.200 1 40 4 4 PRO N N 136.700 0.200 1 41 5 5 PHE H H 8.270 0.020 1 42 5 5 PHE HA H 4.590 0.020 1 43 5 5 PHE HB2 H 3.200 0.020 2 44 5 5 PHE HB3 H 3.120 0.020 2 45 5 5 PHE HD1 H 7.280 0.020 3 46 5 5 PHE HD2 H 7.280 0.020 3 47 5 5 PHE HE1 H 7.380 0.020 3 48 5 5 PHE HE2 H 7.380 0.020 3 49 5 5 PHE C C 176.400 0.200 1 50 5 5 PHE CA C 58.500 0.200 1 51 5 5 PHE CB C 38.900 0.200 1 52 5 5 PHE CD1 C 131.500 0.200 3 53 5 5 PHE CD2 C 131.500 0.200 3 54 5 5 PHE N N 118.500 0.200 1 55 6 6 THR H H 7.810 0.020 1 56 6 6 THR HA H 4.290 0.020 1 57 6 6 THR HB H 4.220 0.020 1 58 6 6 THR HG2 H 1.220 0.020 1 59 6 6 THR C C 174.600 0.200 1 60 6 6 THR CA C 62.300 0.200 1 61 6 6 THR CB C 69.900 0.200 1 62 6 6 THR CG2 C 21.700 0.200 1 63 6 6 THR N N 113.900 0.200 1 64 7 7 MET H H 8.170 0.020 1 65 7 7 MET HA H 4.490 0.020 1 66 7 7 MET HB2 H 2.120 0.020 2 67 7 7 MET HB3 H 2.040 0.020 2 68 7 7 MET HG2 H 2.610 0.020 2 69 7 7 MET HG3 H 2.520 0.020 2 70 7 7 MET HE H 2.060 0.020 1 71 7 7 MET C C 176.300 0.200 1 72 7 7 MET CA C 55.800 0.200 1 73 7 7 MET CB C 32.600 0.200 1 74 7 7 MET CG C 32.100 0.200 1 75 7 7 MET CE C 17.000 0.200 1 76 7 7 MET N N 122.100 0.200 1 77 8 8 THR H H 8.030 0.020 1 78 8 8 THR HA H 4.310 0.020 1 79 8 8 THR HB H 4.160 0.020 1 80 8 8 THR HG2 H 1.150 0.020 1 81 8 8 THR C C 174.100 0.200 1 82 8 8 THR CA C 62.000 0.200 1 83 8 8 THR CB C 69.900 0.200 1 84 8 8 THR CG2 C 21.500 0.200 1 85 8 8 THR N N 114.400 0.200 1 86 9 9 ASN H H 8.380 0.020 1 87 9 9 ASN HA H 4.690 0.020 1 88 9 9 ASN HB2 H 2.780 0.020 2 89 9 9 ASN HB3 H 2.720 0.020 2 90 9 9 ASN HD21 H 7.540 0.020 2 91 9 9 ASN HD22 H 6.870 0.020 2 92 9 9 ASN C C 175.000 0.200 1 93 9 9 ASN CA C 53.200 0.200 1 94 9 9 ASN CB C 38.800 0.200 1 95 9 9 ASN CG C 177.000 0.200 1 96 9 9 ASN N N 120.900 0.200 1 97 9 9 ASN ND2 N 112.600 0.200 1 98 10 10 HIS H H 8.410 0.020 1 99 10 10 HIS HA H 4.610 0.020 1 100 10 10 HIS HB2 H 3.240 0.020 2 101 10 10 HIS HB3 H 3.120 0.020 2 102 10 10 HIS C C 174.300 0.200 1 103 10 10 HIS CA C 55.800 0.200 1 104 10 10 HIS CB C 29.500 0.200 1 105 10 10 HIS N N 119.800 0.200 1 106 11 11 ALA H H 8.300 0.020 1 107 11 11 ALA HA H 4.300 0.020 1 108 11 11 ALA HB H 1.360 0.020 1 109 11 11 ALA C C 177.200 0.200 1 110 11 11 ALA CA C 52.600 0.200 1 111 11 11 ALA CB C 19.300 0.200 1 112 11 11 ALA N N 125.100 0.200 1 113 12 12 ASP H H 8.320 0.020 1 114 12 12 ASP HA H 4.570 0.020 1 115 12 12 ASP HB2 H 2.670 0.020 2 116 12 12 ASP HB3 H 2.580 0.020 2 117 12 12 ASP C C 175.600 0.200 1 118 12 12 ASP CA C 54.300 0.200 1 119 12 12 ASP CB C 41.200 0.200 1 120 12 12 ASP CG C 180.100 0.200 1 121 12 12 ASP N N 119.400 0.200 1 122 13 13 ASN H H 8.250 0.020 1 123 13 13 ASN HA H 4.980 0.020 1 124 13 13 ASN HB2 H 2.830 0.020 2 125 13 13 ASN HB3 H 2.660 0.020 2 126 13 13 ASN HD21 H 7.600 0.020 2 127 13 13 ASN HD22 H 6.900 0.020 2 128 13 13 ASN C C 173.300 0.200 1 129 13 13 ASN CA C 51.400 0.200 1 130 13 13 ASN CB C 38.800 0.200 1 131 13 13 ASN CG C 177.200 0.200 1 132 13 13 ASN N N 119.400 0.200 1 133 13 13 ASN ND2 N 113.400 0.200 1 134 14 14 PRO HA H 4.460 0.020 1 135 14 14 PRO HB2 H 2.290 0.020 2 136 14 14 PRO HB3 H 1.970 0.020 2 137 14 14 PRO HG2 H 2.000 0.020 2 138 14 14 PRO HG3 H 2.000 0.020 2 139 14 14 PRO HD2 H 3.760 0.020 2 140 14 14 PRO HD3 H 3.720 0.020 2 141 14 14 PRO C C 177.400 0.200 1 142 14 14 PRO CA C 63.700 0.200 1 143 14 14 PRO CB C 32.300 0.200 1 144 14 14 PRO CG C 27.500 0.200 1 145 14 14 PRO CD C 50.800 0.200 1 146 14 14 PRO N N 136.500 0.200 1 147 15 15 THR H H 8.240 0.020 1 148 15 15 THR HA H 4.330 0.020 1 149 15 15 THR HB H 4.220 0.020 1 150 15 15 THR HG2 H 1.190 0.020 1 151 15 15 THR C C 174.800 0.200 1 152 15 15 THR CA C 62.400 0.200 1 153 15 15 THR CB C 69.700 0.200 1 154 15 15 THR CG2 C 21.700 0.200 1 155 15 15 THR N N 113.500 0.200 1 156 16 16 THR H H 7.930 0.020 1 157 16 16 THR HA H 4.280 0.020 1 158 16 16 THR HB H 4.170 0.020 1 159 16 16 THR HG2 H 1.130 0.020 1 160 16 16 THR C C 174.200 0.200 1 161 16 16 THR CA C 62.000 0.200 1 162 16 16 THR CB C 69.900 0.200 1 163 16 16 THR CG2 C 21.600 0.200 1 164 16 16 THR N N 115.600 0.200 1 165 17 17 HIS H H 8.310 0.020 1 166 17 17 HIS HA H 4.540 0.020 1 167 17 17 HIS HB2 H 2.880 0.020 2 168 17 17 HIS HB3 H 2.880 0.020 2 169 17 17 HIS C C 174.300 0.200 1 170 17 17 HIS CA C 55.400 0.200 1 171 17 17 HIS CB C 29.400 0.200 1 172 17 17 HIS N N 121.300 0.200 1 173 18 18 VAL H H 8.040 0.020 1 174 18 18 VAL HA H 3.990 0.020 1 175 18 18 VAL HB H 1.940 0.020 1 176 18 18 VAL HG1 H 0.800 0.020 2 177 18 18 VAL HG2 H 0.820 0.020 2 178 18 18 VAL C C 175.700 0.200 1 179 18 18 VAL CA C 62.400 0.200 1 180 18 18 VAL CB C 32.700 0.200 1 181 18 18 VAL CG1 C 21.300 0.200 2 182 18 18 VAL CG2 C 20.600 0.200 2 183 18 18 VAL N N 121.800 0.200 1 184 19 19 TRP H H 8.140 0.020 1 185 19 19 TRP HA H 4.670 0.020 1 186 19 19 TRP HB2 H 3.300 0.020 2 187 19 19 TRP HB3 H 3.180 0.020 2 188 19 19 TRP HD1 H 7.230 0.020 1 189 19 19 TRP HE1 H 10.160 0.020 1 190 19 19 TRP HZ2 H 7.380 0.020 1 191 19 19 TRP HH2 H 7.150 0.020 1 192 19 19 TRP C C 176.000 0.200 1 193 19 19 TRP CA C 57.000 0.200 1 194 19 19 TRP CB C 29.800 0.200 1 195 19 19 TRP CD1 C 127.600 0.200 1 196 19 19 TRP CZ2 C 114.900 0.200 1 197 19 19 TRP CH2 C 124.000 0.200 1 198 19 19 TRP N N 124.600 0.200 1 199 19 19 TRP NE1 N 129.400 0.200 1 200 20 20 ALA H H 8.230 0.020 1 201 20 20 ALA HA H 4.340 0.020 1 202 20 20 ALA HB H 1.360 0.020 1 203 20 20 ALA C C 177.700 0.200 1 204 20 20 ALA CA C 52.900 0.200 1 205 20 20 ALA CB C 19.700 0.200 1 206 20 20 ALA N N 125.400 0.200 1 207 21 21 THR H H 8.080 0.020 1 208 21 21 THR HA H 4.330 0.020 1 209 21 21 THR HB H 4.250 0.020 1 210 21 21 THR HG2 H 1.220 0.020 1 211 21 21 THR C C 174.700 0.200 1 212 21 21 THR CA C 61.700 0.200 1 213 21 21 THR CB C 70.400 0.200 1 214 21 21 THR CG2 C 21.700 0.200 1 215 21 21 THR N N 112.700 0.200 1 216 22 22 LEU H H 8.250 0.020 1 217 22 22 LEU HA H 4.280 0.020 1 218 22 22 LEU HB2 H 1.640 0.020 2 219 22 22 LEU HB3 H 1.640 0.020 2 220 22 22 LEU HG H 1.590 0.020 1 221 22 22 LEU HD1 H 0.900 0.020 2 222 22 22 LEU HD2 H 0.860 0.020 2 223 22 22 LEU C C 177.500 0.200 1 224 22 22 LEU CA C 55.800 0.200 1 225 22 22 LEU CB C 42.300 0.200 1 226 22 22 LEU CG C 27.000 0.200 1 227 22 22 LEU CD1 C 24.900 0.200 2 228 22 22 LEU CD2 C 23.800 0.200 2 229 22 22 LEU N N 124.100 0.200 1 230 23 23 ALA H H 8.190 0.020 1 231 23 23 ALA HA H 4.240 0.020 1 232 23 23 ALA HB H 1.370 0.020 1 233 23 23 ALA C C 178.000 0.200 1 234 23 23 ALA CA C 53.100 0.200 1 235 23 23 ALA CB C 19.400 0.200 1 236 23 23 ALA N N 123.700 0.200 1 237 24 24 ASP H H 8.110 0.020 1 238 24 24 ASP HA H 4.530 0.020 1 239 24 24 ASP HB2 H 2.730 0.020 2 240 24 24 ASP HB3 H 2.680 0.020 2 241 24 24 ASP C C 176.600 0.200 1 242 24 24 ASP CA C 54.900 0.200 1 243 24 24 ASP CB C 41.200 0.200 1 244 24 24 ASP CG C 180.200 0.200 1 245 24 24 ASP N N 119.000 0.200 1 246 25 25 ARG H H 8.060 0.020 1 247 25 25 ARG HA H 4.190 0.020 1 248 25 25 ARG HB2 H 1.850 0.020 2 249 25 25 ARG HB3 H 1.740 0.020 2 250 25 25 ARG HG2 H 1.570 0.020 2 251 25 25 ARG HG3 H 1.570 0.020 2 252 25 25 ARG HD2 H 3.120 0.020 2 253 25 25 ARG HD3 H 3.120 0.020 2 254 25 25 ARG C C 176.900 0.200 1 255 25 25 ARG CA C 56.800 0.200 1 256 25 25 ARG CB C 30.600 0.200 1 257 25 25 ARG CG C 27.200 0.200 1 258 25 25 ARG CD C 43.600 0.200 1 259 25 25 ARG N N 120.600 0.200 1 260 26 26 GLU H H 8.320 0.020 1 261 26 26 GLU HA H 4.200 0.020 1 262 26 26 GLU HB2 H 2.060 0.020 2 263 26 26 GLU HB3 H 1.970 0.020 2 264 26 26 GLU HG2 H 2.320 0.020 2 265 26 26 GLU HG3 H 2.260 0.020 2 266 26 26 GLU C C 176.800 0.200 1 267 26 26 GLU CA C 57.100 0.200 1 268 26 26 GLU CB C 30.300 0.200 1 269 26 26 GLU CG C 36.400 0.200 1 270 26 26 GLU N N 121.000 0.200 1 271 27 27 ALA H H 8.090 0.020 1 272 27 27 ALA HA H 4.230 0.020 1 273 27 27 ALA HB H 1.360 0.020 1 274 27 27 ALA C C 177.800 0.200 1 275 27 27 ALA CA C 53.100 0.200 1 276 27 27 ALA CB C 19.400 0.200 1 277 27 27 ALA N N 123.700 0.200 1 278 28 28 GLU H H 8.180 0.020 1 279 28 28 GLU HA H 4.170 0.020 1 280 28 28 GLU HB2 H 1.410 0.020 2 281 28 28 GLU HB3 H 1.410 0.020 2 282 28 28 GLU HG2 H 2.260 0.020 2 283 28 28 GLU HG3 H 2.180 0.020 2 284 28 28 GLU C C 176.300 0.200 1 285 28 28 GLU CA C 56.900 0.200 1 286 28 28 GLU CB C 30.500 0.200 1 287 28 28 GLU CG C 36.300 0.200 1 288 28 28 GLU N N 119.200 0.200 1 289 29 29 HIS H H 8.340 0.020 1 290 29 29 HIS HA H 4.700 0.020 1 291 29 29 HIS HB2 H 3.240 0.020 2 292 29 29 HIS HB3 H 3.160 0.020 2 293 29 29 HIS HD2 H 7.230 0.020 1 294 29 29 HIS C C 174.300 0.200 1 295 29 29 HIS CA C 55.000 0.200 1 296 29 29 HIS CB C 29.000 0.200 1 297 29 29 HIS N N 118.900 0.200 1 298 30 30 LEU H H 8.340 0.020 1 299 30 30 LEU HA H 4.420 0.020 1 300 30 30 LEU HB2 H 1.640 0.020 2 301 30 30 LEU HB3 H 1.530 0.020 2 302 30 30 LEU HG H 1.570 0.020 1 303 30 30 LEU HD1 H 0.870 0.020 2 304 30 30 LEU HD2 H 0.820 0.020 2 305 30 30 LEU C C 177.400 0.200 1 306 30 30 LEU CA C 55.300 0.200 1 307 30 30 LEU CB C 42.400 0.200 1 308 30 30 LEU CG C 27.000 0.200 1 309 30 30 LEU CD1 C 25.200 0.200 2 310 30 30 LEU CD2 C 23.400 0.200 2 311 30 30 LEU N N 123.600 0.200 1 312 31 31 THR H H 8.120 0.020 1 313 31 31 THR HA H 4.320 0.020 1 314 31 31 THR HB H 4.190 0.020 1 315 31 31 THR HG2 H 1.190 0.020 1 316 31 31 THR C C 175.200 0.200 1 317 31 31 THR CA C 62.000 0.200 1 318 31 31 THR CB C 70.100 0.200 1 319 31 31 THR CG2 C 21.700 0.200 1 320 31 31 THR N N 114.200 0.200 1 321 32 32 GLY H H 8.310 0.020 1 322 32 32 GLY HA2 H 3.890 0.020 2 323 32 32 GLY HA3 H 3.820 0.020 2 324 32 32 GLY C C 173.300 0.200 1 325 32 32 GLY CA C 44.600 0.200 1 326 32 32 GLY N N 110.500 0.200 1 327 33 33 ASP H H 7.950 0.020 1 328 33 33 ASP HA H 4.720 0.020 1 329 33 33 ASP HB2 H 2.790 0.020 2 330 33 33 ASP HB3 H 2.550 0.020 2 331 33 33 ASP C C 175.700 0.200 1 332 33 33 ASP CA C 54.000 0.200 1 333 33 33 ASP CB C 41.800 0.200 1 334 33 33 ASP N N 119.900 0.200 1 335 34 34 ALA H H 8.940 0.020 1 336 34 34 ALA HA H 3.850 0.020 1 337 34 34 ALA HB H 1.330 0.020 1 338 34 34 ALA C C 179.000 0.200 1 339 34 34 ALA CA C 55.200 0.200 1 340 34 34 ALA CB C 18.300 0.200 1 341 34 34 ALA N N 127.000 0.200 1 342 35 35 GLU H H 8.080 0.020 1 343 35 35 GLU HA H 3.820 0.020 1 344 35 35 GLU HB2 H 2.110 0.020 2 345 35 35 GLU HB3 H 2.110 0.020 2 346 35 35 GLU HG2 H 2.410 0.020 2 347 35 35 GLU HG3 H 2.280 0.020 2 348 35 35 GLU C C 179.300 0.200 1 349 35 35 GLU CA C 60.000 0.200 1 350 35 35 GLU CB C 28.700 0.200 1 351 35 35 GLU CG C 36.400 0.200 1 352 35 35 GLU CD C 183.400 0.200 1 353 35 35 GLU N N 116.700 0.200 1 354 36 36 ALA H H 7.690 0.020 1 355 36 36 ALA HA H 4.110 0.020 1 356 36 36 ALA HB H 1.360 0.020 1 357 36 36 ALA C C 180.900 0.200 1 358 36 36 ALA CA C 54.600 0.200 1 359 36 36 ALA CB C 18.800 0.200 1 360 36 36 ALA N N 122.300 0.200 1 361 37 37 ALA H H 8.300 0.020 1 362 37 37 ALA HA H 4.220 0.020 1 363 37 37 ALA HB H 1.450 0.020 1 364 37 37 ALA C C 179.600 0.200 1 365 37 37 ALA CA C 54.800 0.200 1 366 37 37 ALA CB C 17.800 0.200 1 367 37 37 ALA N N 120.200 0.200 1 368 38 38 ALA H H 8.570 0.020 1 369 38 38 ALA HA H 3.550 0.020 1 370 38 38 ALA HB H 1.280 0.020 1 371 38 38 ALA C C 179.100 0.200 1 372 38 38 ALA CA C 55.600 0.200 1 373 38 38 ALA CB C 17.400 0.200 1 374 38 38 ALA N N 120.800 0.200 1 375 39 39 GLU H H 7.200 0.020 1 376 39 39 GLU HA H 3.950 0.020 1 377 39 39 GLU HB2 H 2.150 0.020 2 378 39 39 GLU HB3 H 2.150 0.020 2 379 39 39 GLU HG2 H 2.420 0.020 2 380 39 39 GLU HG3 H 2.290 0.020 2 381 39 39 GLU C C 179.600 0.200 1 382 39 39 GLU CA C 59.100 0.200 1 383 39 39 GLU CB C 29.300 0.200 1 384 39 39 GLU CG C 35.800 0.200 1 385 39 39 GLU CD C 183.200 0.200 1 386 39 39 GLU N N 116.500 0.200 1 387 40 40 VAL H H 7.260 0.020 1 388 40 40 VAL HA H 3.690 0.020 1 389 40 40 VAL HB H 1.100 0.020 1 390 40 40 VAL HG1 H 0.880 0.020 2 391 40 40 VAL HG2 H 0.880 0.020 2 392 40 40 VAL C C 179.700 0.200 1 393 40 40 VAL CA C 65.800 0.200 1 394 40 40 VAL CB C 31.300 0.200 1 395 40 40 VAL CG1 C 22.600 0.200 2 396 40 40 VAL CG2 C 22.600 0.200 2 397 40 40 VAL N N 122.300 0.200 1 398 41 41 VAL H H 8.430 0.020 1 399 41 41 VAL HA H 3.200 0.020 1 400 41 41 VAL HB H 1.780 0.020 1 401 41 41 VAL HG1 H 0.870 0.020 2 402 41 41 VAL HG2 H 0.150 0.020 2 403 41 41 VAL C C 176.500 0.200 1 404 41 41 VAL CA C 67.200 0.200 1 405 41 41 VAL CB C 31.400 0.200 1 406 41 41 VAL CG1 C 22.100 0.200 2 407 41 41 VAL CG2 C 20.700 0.200 2 408 41 41 VAL N N 119.900 0.200 1 409 42 42 ARG H H 8.460 0.020 1 410 42 42 ARG HA H 3.440 0.020 1 411 42 42 ARG HB2 H 1.860 0.020 2 412 42 42 ARG HB3 H 1.650 0.020 2 413 42 42 ARG HG2 H 1.570 0.020 2 414 42 42 ARG HG3 H 1.570 0.020 2 415 42 42 ARG HD2 H 3.350 0.020 2 416 42 42 ARG HD3 H 3.140 0.020 2 417 42 42 ARG C C 177.500 0.200 1 418 42 42 ARG CA C 60.200 0.200 1 419 42 42 ARG CB C 30.300 0.200 1 420 42 42 ARG CG C 26.500 0.200 1 421 42 42 ARG CD C 44.000 0.200 1 422 42 42 ARG N N 117.900 0.200 1 423 43 43 GLY H H 7.710 0.020 1 424 43 43 GLY HA2 H 4.080 0.020 2 425 43 43 GLY HA3 H 3.830 0.020 2 426 43 43 GLY C C 176.800 0.200 1 427 43 43 GLY CA C 47.300 0.200 1 428 43 43 GLY N N 105.300 0.200 1 429 44 44 ILE H H 7.710 0.020 1 430 44 44 ILE HA H 3.950 0.020 1 431 44 44 ILE HB H 2.070 0.020 1 432 44 44 ILE HG12 H 1.780 0.020 2 433 44 44 ILE HG13 H 1.150 0.020 2 434 44 44 ILE HG2 H 1.160 0.020 1 435 44 44 ILE HD1 H 0.770 0.020 1 436 44 44 ILE C C 178.500 0.200 1 437 44 44 ILE CA C 64.900 0.200 1 438 44 44 ILE CB C 38.100 0.200 1 439 44 44 ILE CG1 C 29.800 0.200 1 440 44 44 ILE CG2 C 18.100 0.200 1 441 44 44 ILE CD1 C 14.000 0.200 1 442 44 44 ILE N N 123.800 0.200 1 443 45 45 TRP H H 9.450 0.020 1 444 45 45 TRP HA H 4.340 0.020 1 445 45 45 TRP HB2 H 3.400 0.020 2 446 45 45 TRP HB3 H 3.150 0.020 2 447 45 45 TRP HD1 H 6.760 0.020 1 448 45 45 TRP HE1 H 10.220 0.020 1 449 45 45 TRP HZ2 H 7.130 0.020 1 450 45 45 TRP HH2 H 7.370 0.020 1 451 45 45 TRP C C 177.700 0.200 1 452 45 45 TRP CA C 60.200 0.200 1 453 45 45 TRP CB C 28.500 0.200 1 454 45 45 TRP CD1 C 122.600 0.200 1 455 45 45 TRP CZ2 C 114.500 0.200 1 456 45 45 TRP CH2 C 124.500 0.200 1 457 45 45 TRP N N 121.400 0.200 1 458 45 45 TRP NE1 N 127.400 0.200 1 459 46 46 ALA H H 8.520 0.020 1 460 46 46 ALA HA H 3.900 0.020 1 461 46 46 ALA HB H 1.620 0.020 1 462 46 46 ALA C C 179.500 0.200 1 463 46 46 ALA CA C 56.100 0.200 1 464 46 46 ALA CB C 17.600 0.200 1 465 46 46 ALA N N 120.100 0.200 1 466 47 47 GLU H H 7.440 0.020 1 467 47 47 GLU HA H 4.160 0.020 1 468 47 47 GLU HB2 H 2.330 0.020 2 469 47 47 GLU HB3 H 2.260 0.020 2 470 47 47 GLU HG2 H 2.590 0.020 2 471 47 47 GLU HG3 H 2.590 0.020 2 472 47 47 GLU C C 180.000 0.200 1 473 47 47 GLU CA C 59.400 0.200 1 474 47 47 GLU CB C 30.100 0.200 1 475 47 47 GLU CG C 36.400 0.200 1 476 47 47 GLU N N 116.100 0.200 1 477 48 48 VAL H H 8.320 0.020 1 478 48 48 VAL HA H 3.960 0.020 1 479 48 48 VAL HB H 2.160 0.020 1 480 48 48 VAL HG1 H 1.100 0.020 2 481 48 48 VAL HG2 H 1.000 0.020 2 482 48 48 VAL C C 177.300 0.200 1 483 48 48 VAL CA C 65.200 0.200 1 484 48 48 VAL CB C 32.200 0.200 1 485 48 48 VAL CG1 C 21.800 0.200 2 486 48 48 VAL CG2 C 21.800 0.200 2 487 48 48 VAL N N 116.400 0.200 1 488 49 49 LEU H H 8.610 0.020 1 489 49 49 LEU HA H 3.980 0.020 1 490 49 49 LEU HB2 H 1.650 0.020 2 491 49 49 LEU HB3 H 1.270 0.020 2 492 49 49 LEU HG H 1.310 0.020 1 493 49 49 LEU HD1 H 0.370 0.020 2 494 49 49 LEU HD2 H -0.080 0.020 2 495 49 49 LEU C C 176.000 0.200 1 496 49 49 LEU CA C 55.000 0.200 1 497 49 49 LEU CB C 42.000 0.200 1 498 49 49 LEU CG C 26.700 0.200 1 499 49 49 LEU CD1 C 25.700 0.200 2 500 49 49 LEU CD2 C 21.300 0.200 2 501 49 49 LEU N N 117.600 0.200 1 502 50 50 GLU H H 7.590 0.020 1 503 50 50 GLU HA H 3.880 0.020 1 504 50 50 GLU HB2 H 2.090 0.020 2 505 50 50 GLU HB3 H 2.090 0.020 2 506 50 50 GLU HG2 H 2.220 0.020 2 507 50 50 GLU HG3 H 2.160 0.020 2 508 50 50 GLU C C 174.600 0.200 1 509 50 50 GLU CA C 57.200 0.200 1 510 50 50 GLU CB C 26.800 0.200 1 511 50 50 GLU CG C 36.500 0.200 1 512 50 50 GLU N N 117.200 0.200 1 513 51 51 ALA H H 8.400 0.020 1 514 51 51 ALA HA H 4.720 0.020 1 515 51 51 ALA HB H 1.200 0.020 1 516 51 51 ALA C C 175.900 0.200 1 517 51 51 ALA CA C 50.000 0.200 1 518 51 51 ALA CB C 22.700 0.200 1 519 51 51 ALA N N 121.800 0.200 1 520 52 52 ASP H H 8.380 0.020 1 521 52 52 ASP HA H 4.610 0.020 1 522 52 52 ASP HB2 H 2.730 0.020 2 523 52 52 ASP HB3 H 2.630 0.020 2 524 52 52 ASP C C 178.600 0.200 1 525 52 52 ASP CA C 53.800 0.200 1 526 52 52 ASP CB C 41.500 0.200 1 527 52 52 ASP CG C 179.800 0.200 1 528 52 52 ASP N N 119.000 0.200 1 529 53 53 ALA H H 9.250 0.020 1 530 53 53 ALA HA H 3.790 0.020 1 531 53 53 ALA HB H 1.380 0.020 1 532 53 53 ALA C C 179.200 0.200 1 533 53 53 ALA CA C 56.300 0.200 1 534 53 53 ALA CB C 18.200 0.200 1 535 53 53 ALA N N 130.700 0.200 1 536 54 54 GLU H H 8.520 0.020 1 537 54 54 GLU HA H 3.970 0.020 1 538 54 54 GLU HB2 H 2.060 0.020 2 539 54 54 GLU HB3 H 2.010 0.020 2 540 54 54 GLU HG2 H 2.340 0.020 2 541 54 54 GLU HG3 H 2.300 0.020 2 542 54 54 GLU C C 177.700 0.200 1 543 54 54 GLU CA C 58.400 0.200 1 544 54 54 GLU CB C 29.200 0.200 1 545 54 54 GLU CG C 36.700 0.200 1 546 54 54 GLU N N 113.300 0.200 1 547 55 55 SER H H 7.880 0.020 1 548 55 55 SER HA H 4.430 0.020 1 549 55 55 SER HB2 H 4.090 0.020 2 550 55 55 SER HB3 H 3.990 0.020 2 551 55 55 SER C C 173.500 0.200 1 552 55 55 SER CA C 59.400 0.200 1 553 55 55 SER CB C 64.200 0.200 1 554 55 55 SER N N 113.700 0.200 1 555 56 56 ILE H H 7.640 0.020 1 556 56 56 ILE HA H 4.000 0.020 1 557 56 56 ILE HB H 2.020 0.020 1 558 56 56 ILE HG12 H 1.780 0.020 2 559 56 56 ILE HG13 H 1.780 0.020 2 560 56 56 ILE HG2 H 0.780 0.020 1 561 56 56 ILE HD1 H 0.900 0.020 1 562 56 56 ILE C C 173.400 0.200 1 563 56 56 ILE CA C 60.900 0.200 1 564 56 56 ILE CB C 38.100 0.200 1 565 56 56 ILE CG1 C 26.000 0.200 1 566 56 56 ILE CG2 C 17.500 0.200 1 567 56 56 ILE CD1 C 13.900 0.200 1 568 56 56 ILE N N 123.500 0.200 1 569 57 57 ASP H H 8.520 0.020 1 570 57 57 ASP HA H 4.660 0.020 1 571 57 57 ASP HB2 H 2.640 0.020 2 572 57 57 ASP HB3 H 2.640 0.020 2 573 57 57 ASP C C 178.700 0.200 1 574 57 57 ASP CA C 54.100 0.200 1 575 57 57 ASP CB C 43.300 0.200 1 576 57 57 ASP CG C 180.300 0.200 1 577 57 57 ASP N N 128.700 0.200 1 578 58 58 VAL H H 8.790 0.020 1 579 58 58 VAL HA H 3.460 0.020 1 580 58 58 VAL HB H 1.770 0.020 1 581 58 58 VAL HG1 H 0.660 0.020 2 582 58 58 VAL HG2 H 0.570 0.020 2 583 58 58 VAL C C 174.800 0.200 1 584 58 58 VAL CA C 65.500 0.200 1 585 58 58 VAL CB C 32.000 0.200 1 586 58 58 VAL CG1 C 21.700 0.200 2 587 58 58 VAL CG2 C 19.000 0.200 2 588 58 58 VAL N N 121.700 0.200 1 589 59 59 HIS H H 8.190 0.020 1 590 59 59 HIS HA H 4.610 0.020 1 591 59 59 HIS HB2 H 3.320 0.020 2 592 59 59 HIS HB3 H 3.170 0.020 2 593 59 59 HIS C C 176.500 0.200 1 594 59 59 HIS CA C 58.200 0.200 1 595 59 59 HIS CB C 30.300 0.200 1 596 59 59 HIS N N 113.500 0.200 1 597 60 60 ARG H H 8.680 0.020 1 598 60 60 ARG HA H 4.690 0.020 1 599 60 60 ARG HB2 H 2.050 0.020 2 600 60 60 ARG HB3 H 1.610 0.020 2 601 60 60 ARG HG2 H 1.610 0.020 2 602 60 60 ARG HG3 H 1.610 0.020 2 603 60 60 ARG HD2 H 3.220 0.020 2 604 60 60 ARG HD3 H 3.220 0.020 2 605 60 60 ARG C C 177.000 0.200 1 606 60 60 ARG CA C 55.500 0.200 1 607 60 60 ARG CB C 32.700 0.200 1 608 60 60 ARG CG C 27.500 0.200 1 609 60 60 ARG CD C 43.200 0.200 1 610 60 60 ARG N N 116.100 0.200 1 611 61 61 GLY H H 8.620 0.020 1 612 61 61 GLY HA2 H 4.130 0.020 2 613 61 61 GLY HA3 H 3.660 0.020 2 614 61 61 GLY C C 170.100 0.200 1 615 61 61 GLY CA C 46.900 0.200 1 616 61 61 GLY N N 112.900 0.200 1 617 62 62 ASP H H 8.090 0.020 1 618 62 62 ASP HA H 5.260 0.020 1 619 62 62 ASP HB2 H 2.910 0.020 2 620 62 62 ASP HB3 H 2.440 0.020 2 621 62 62 ASP C C 175.900 0.200 1 622 62 62 ASP CA C 52.400 0.200 1 623 62 62 ASP CB C 44.400 0.200 1 624 62 62 ASP N N 123.300 0.200 1 625 63 63 PHE H H 9.210 0.020 1 626 63 63 PHE HA H 3.180 0.020 1 627 63 63 PHE HB2 H 2.570 0.020 2 628 63 63 PHE HB3 H 2.320 0.020 2 629 63 63 PHE C C 175.600 0.200 1 630 63 63 PHE CA C 62.400 0.200 1 631 63 63 PHE CB C 40.900 0.200 1 632 63 63 PHE N N 124.700 0.200 1 633 64 64 PHE H H 7.770 0.020 1 634 64 64 PHE HA H 4.090 0.020 1 635 64 64 PHE HB2 H 3.190 0.020 2 636 64 64 PHE HB3 H 3.190 0.020 2 637 64 64 PHE HD1 H 7.370 0.020 3 638 64 64 PHE HD2 H 7.370 0.020 3 639 64 64 PHE C C 180.300 0.200 1 640 64 64 PHE CA C 60.100 0.200 1 641 64 64 PHE CB C 37.800 0.200 1 642 64 64 PHE CD1 C 132.400 0.200 3 643 64 64 PHE CD2 C 132.400 0.200 3 644 64 64 PHE N N 113.700 0.200 1 645 65 65 GLU H H 8.950 0.020 1 646 65 65 GLU HA H 4.110 0.020 1 647 65 65 GLU HB2 H 2.200 0.020 2 648 65 65 GLU HB3 H 2.200 0.020 2 649 65 65 GLU HG2 H 2.350 0.020 2 650 65 65 GLU HG3 H 2.470 0.020 2 651 65 65 GLU C C 179.300 0.200 1 652 65 65 GLU CA C 59.400 0.200 1 653 65 65 GLU CB C 29.700 0.200 1 654 65 65 GLU CG C 36.400 0.200 1 655 65 65 GLU CD C 183.400 0.200 1 656 65 65 GLU N N 126.000 0.200 1 657 66 66 LEU H H 7.910 0.020 1 658 66 66 LEU HA H 4.180 0.020 1 659 66 66 LEU HB2 H 1.750 0.020 2 660 66 66 LEU HB3 H 1.530 0.020 2 661 66 66 LEU HG H 1.560 0.020 1 662 66 66 LEU HD1 H 0.890 0.020 2 663 66 66 LEU HD2 H 0.810 0.020 2 664 66 66 LEU C C 176.000 0.200 1 665 66 66 LEU CA C 55.500 0.200 1 666 66 66 LEU CB C 43.000 0.200 1 667 66 66 LEU CG C 26.500 0.200 1 668 66 66 LEU CD1 C 23.000 0.200 2 669 66 66 LEU CD2 C 23.100 0.200 2 670 66 66 LEU N N 116.900 0.200 1 671 67 67 GLY H H 7.500 0.020 1 672 67 67 GLY HA2 H 4.370 0.020 2 673 67 67 GLY HA3 H 3.670 0.020 2 674 67 67 GLY C C 175.000 0.200 1 675 67 67 GLY CA C 44.500 0.200 1 676 67 67 GLY N N 105.200 0.200 1 677 68 68 GLY H H 8.140 0.020 1 678 68 68 GLY HA2 H 3.090 0.020 2 679 68 68 GLY HA3 H 2.250 0.020 2 680 68 68 GLY C C 170.300 0.200 1 681 68 68 GLY CA C 45.300 0.200 1 682 68 68 GLY N N 108.800 0.200 1 683 69 69 TYR H H 6.070 0.020 1 684 69 69 TYR HA H 5.170 0.020 1 685 69 69 TYR HB2 H 3.510 0.020 2 686 69 69 TYR HB3 H 3.350 0.020 2 687 69 69 TYR HD1 H 7.320 0.020 3 688 69 69 TYR HD2 H 7.320 0.020 3 689 69 69 TYR HE1 H 6.900 0.020 3 690 69 69 TYR HE2 H 6.900 0.020 3 691 69 69 TYR C C 177.100 0.200 1 692 69 69 TYR CA C 55.700 0.200 1 693 69 69 TYR CB C 38.500 0.200 1 694 69 69 TYR CD1 C 134.300 0.200 3 695 69 69 TYR CD2 C 134.300 0.200 3 696 69 69 TYR CE1 C 118.600 0.200 3 697 69 69 TYR CE2 C 118.600 0.200 3 698 69 69 TYR N N 110.900 0.200 1 699 70 70 SER H H 9.700 0.020 1 700 70 70 SER HA H 4.120 0.020 1 701 70 70 SER HB2 H 4.180 0.020 2 702 70 70 SER HB3 H 4.180 0.020 2 703 70 70 SER C C 175.900 0.200 1 704 70 70 SER CA C 64.200 0.200 1 705 70 70 SER CB C 62.400 0.200 1 706 70 70 SER N N 119.300 0.200 1 707 71 71 LEU H H 8.200 0.020 1 708 71 71 LEU HA H 4.170 0.020 1 709 71 71 LEU HB2 H 1.860 0.020 2 710 71 71 LEU HB3 H 1.680 0.020 2 711 71 71 LEU HG H 1.770 0.020 1 712 71 71 LEU HD1 H 1.070 0.020 2 713 71 71 LEU HD2 H 1.010 0.020 2 714 71 71 LEU C C 179.400 0.200 1 715 71 71 LEU CA C 58.900 0.200 1 716 71 71 LEU CB C 42.300 0.200 1 717 71 71 LEU CG C 27.200 0.200 1 718 71 71 LEU CD1 C 24.400 0.200 2 719 71 71 LEU CD2 C 24.400 0.200 2 720 71 71 LEU N N 119.600 0.200 1 721 72 72 LEU H H 6.260 0.020 1 722 72 72 LEU HA H 3.980 0.020 1 723 72 72 LEU HB2 H 1.210 0.020 2 724 72 72 LEU HB3 H 0.820 0.020 2 725 72 72 LEU HG H 1.000 0.020 1 726 72 72 LEU HD1 H 0.760 0.020 2 727 72 72 LEU HD2 H 0.640 0.020 2 728 72 72 LEU C C 178.700 0.200 1 729 72 72 LEU CA C 56.300 0.200 1 730 72 72 LEU CB C 41.900 0.200 1 731 72 72 LEU CG C 26.400 0.200 1 732 72 72 LEU CD1 C 25.400 0.200 2 733 72 72 LEU CD2 C 23.300 0.200 2 734 72 72 LEU N N 117.200 0.200 1 735 73 73 ALA H H 8.080 0.020 1 736 73 73 ALA HA H 3.350 0.020 1 737 73 73 ALA HB H 1.040 0.020 1 738 73 73 ALA C C 179.300 0.200 1 739 73 73 ALA CA C 55.000 0.200 1 740 73 73 ALA CB C 17.400 0.200 1 741 73 73 ALA N N 121.900 0.200 1 742 74 74 LEU H H 7.700 0.020 1 743 74 74 LEU HA H 3.980 0.020 1 744 74 74 LEU HB2 H 1.920 0.020 2 745 74 74 LEU HB3 H 1.580 0.020 2 746 74 74 LEU HG H 1.750 0.020 1 747 74 74 LEU HD1 H 0.950 0.020 2 748 74 74 LEU HD2 H 0.880 0.020 2 749 74 74 LEU C C 180.400 0.200 1 750 74 74 LEU CA C 58.000 0.200 1 751 74 74 LEU CB C 41.400 0.200 1 752 74 74 LEU CG C 27.500 0.200 1 753 74 74 LEU CD1 C 25.000 0.200 2 754 74 74 LEU CD2 C 23.200 0.200 2 755 74 74 LEU N N 116.800 0.200 1 756 75 75 GLN H H 7.640 0.020 1 757 75 75 GLN HA H 4.120 0.020 1 758 75 75 GLN HB2 H 2.280 0.020 2 759 75 75 GLN HB3 H 2.160 0.020 2 760 75 75 GLN HG2 H 2.580 0.020 2 761 75 75 GLN HG3 H 2.280 0.020 2 762 75 75 GLN HE21 H 7.310 0.020 2 763 75 75 GLN HE22 H 6.790 0.020 2 764 75 75 GLN C C 179.100 0.200 1 765 75 75 GLN CA C 59.000 0.200 1 766 75 75 GLN CB C 28.400 0.200 1 767 75 75 GLN CG C 33.900 0.200 1 768 75 75 GLN CD C 179.000 0.200 1 769 75 75 GLN N N 120.700 0.200 1 770 75 75 GLN NE2 N 109.700 0.200 1 771 76 76 ALA H H 8.400 0.020 1 772 76 76 ALA HA H 3.940 0.020 1 773 76 76 ALA HB H 1.420 0.020 1 774 76 76 ALA C C 178.800 0.200 1 775 76 76 ALA CA C 55.400 0.200 1 776 76 76 ALA CB C 17.800 0.200 1 777 76 76 ALA N N 121.800 0.200 1 778 77 77 ILE H H 8.540 0.020 1 779 77 77 ILE HA H 3.610 0.020 1 780 77 77 ILE HB H 1.820 0.020 1 781 77 77 ILE HG12 H 1.740 0.020 2 782 77 77 ILE HG13 H 1.050 0.020 2 783 77 77 ILE HG2 H 1.040 0.020 1 784 77 77 ILE HD1 H 0.680 0.020 1 785 77 77 ILE C C 177.600 0.200 1 786 77 77 ILE CA C 66.300 0.200 1 787 77 77 ILE CB C 38.500 0.200 1 788 77 77 ILE CG1 C 31.000 0.200 1 789 77 77 ILE CG2 C 18.000 0.200 1 790 77 77 ILE CD1 C 14.000 0.200 1 791 77 77 ILE N N 118.400 0.200 1 792 78 78 GLY H H 8.290 0.020 1 793 78 78 GLY HA2 H 3.960 0.020 2 794 78 78 GLY HA3 H 3.880 0.020 2 795 78 78 GLY C C 177.000 0.200 1 796 78 78 GLY CA C 47.700 0.200 1 797 78 78 GLY N N 106.700 0.200 1 798 79 79 ARG H H 7.790 0.020 1 799 79 79 ARG HA H 4.220 0.020 1 800 79 79 ARG HB2 H 2.210 0.020 2 801 79 79 ARG HB3 H 1.930 0.020 2 802 79 79 ARG HG2 H 1.770 0.020 2 803 79 79 ARG HG3 H 1.770 0.020 2 804 79 79 ARG HD2 H 3.220 0.020 2 805 79 79 ARG HD3 H 3.220 0.020 2 806 79 79 ARG C C 179.100 0.200 1 807 79 79 ARG CA C 58.600 0.200 1 808 79 79 ARG CB C 29.700 0.200 1 809 79 79 ARG CG C 27.700 0.200 1 810 79 79 ARG CD C 42.000 0.200 1 811 79 79 ARG N N 121.300 0.200 1 812 80 80 ILE H H 8.330 0.020 1 813 80 80 ILE HA H 3.540 0.020 1 814 80 80 ILE HB H 2.320 0.020 1 815 80 80 ILE HG12 H 2.190 0.020 2 816 80 80 ILE HG13 H 0.910 0.020 2 817 80 80 ILE HG2 H 1.020 0.020 1 818 80 80 ILE HD1 H 1.050 0.020 1 819 80 80 ILE C C 177.200 0.200 1 820 80 80 ILE CA C 66.400 0.200 1 821 80 80 ILE CB C 38.400 0.200 1 822 80 80 ILE CG1 C 30.700 0.200 1 823 80 80 ILE CG2 C 18.500 0.200 1 824 80 80 ILE CD1 C 15.500 0.200 1 825 80 80 ILE N N 122.200 0.200 1 826 81 81 LEU H H 8.340 0.020 1 827 81 81 LEU HA H 3.930 0.020 1 828 81 81 LEU HB2 H 2.060 0.020 2 829 81 81 LEU HB3 H 1.420 0.020 2 830 81 81 LEU HG H 2.020 0.020 1 831 81 81 LEU HD1 H 0.990 0.020 2 832 81 81 LEU HD2 H 0.950 0.020 2 833 81 81 LEU C C 179.800 0.200 1 834 81 81 LEU CA C 58.500 0.200 1 835 81 81 LEU CB C 40.400 0.200 1 836 81 81 LEU CG C 27.200 0.200 1 837 81 81 LEU CD1 C 26.500 0.200 2 838 81 81 LEU CD2 C 24.100 0.200 2 839 81 81 LEU N N 118.000 0.200 1 840 82 82 THR H H 8.070 0.020 1 841 82 82 THR HA H 4.100 0.020 1 842 82 82 THR HB H 4.270 0.020 1 843 82 82 THR HG2 H 1.260 0.020 1 844 82 82 THR C C 178.100 0.200 1 845 82 82 THR CA C 66.400 0.200 1 846 82 82 THR CB C 68.900 0.200 1 847 82 82 THR CG2 C 21.900 0.200 1 848 82 82 THR N N 114.600 0.200 1 849 83 83 GLU H H 8.520 0.020 1 850 83 83 GLU HA H 3.930 0.020 1 851 83 83 GLU HB2 H 2.070 0.020 2 852 83 83 GLU HB3 H 1.870 0.020 2 853 83 83 GLU HG2 H 2.190 0.020 2 854 83 83 GLU HG3 H 2.060 0.020 2 855 83 83 GLU C C 178.200 0.200 1 856 83 83 GLU CA C 59.400 0.200 1 857 83 83 GLU CB C 28.500 0.200 1 858 83 83 GLU CG C 34.900 0.200 1 859 83 83 GLU N N 124.600 0.200 1 860 84 84 TYR H H 7.670 0.020 1 861 84 84 TYR HA H 4.260 0.020 1 862 84 84 TYR HB2 H 2.840 0.020 2 863 84 84 TYR HB3 H 2.410 0.020 2 864 84 84 TYR HD1 H 7.240 0.020 3 865 84 84 TYR HD2 H 7.240 0.020 3 866 84 84 TYR HE1 H 6.470 0.020 3 867 84 84 TYR HE2 H 6.470 0.020 3 868 84 84 TYR C C 176.000 0.200 1 869 84 84 TYR CA C 60.200 0.200 1 870 84 84 TYR CB C 38.300 0.200 1 871 84 84 TYR CD1 C 133.000 0.200 3 872 84 84 TYR CD2 C 133.000 0.200 3 873 84 84 TYR CE1 C 117.100 0.200 3 874 84 84 TYR CE2 C 117.100 0.200 3 875 84 84 TYR N N 113.200 0.200 1 876 85 85 GLY H H 7.800 0.020 1 877 85 85 GLY HA2 H 3.880 0.020 2 878 85 85 GLY HA3 H 3.880 0.020 2 879 85 85 GLY C C 174.800 0.200 1 880 85 85 GLY CA C 47.100 0.200 1 881 85 85 GLY N N 110.200 0.200 1 882 86 86 VAL H H 7.520 0.020 1 883 86 86 VAL HA H 3.540 0.020 1 884 86 86 VAL HB H 1.560 0.020 1 885 86 86 VAL HG1 H 0.440 0.020 2 886 86 86 VAL HG2 H 0.440 0.020 2 887 86 86 VAL C C 176.800 0.200 1 888 86 86 VAL CA C 63.800 0.200 1 889 86 86 VAL CB C 31.700 0.200 1 890 86 86 VAL CG1 C 21.500 0.200 2 891 86 86 VAL CG2 C 21.500 0.200 2 892 86 86 VAL N N 119.800 0.200 1 893 87 87 GLY H H 8.570 0.020 1 894 87 87 GLY HA2 H 4.110 0.020 2 895 87 87 GLY HA3 H 3.960 0.020 2 896 87 87 GLY C C 174.800 0.200 1 897 87 87 GLY CA C 45.000 0.200 1 898 87 87 GLY N N 113.700 0.200 1 899 88 88 GLU H H 8.600 0.020 1 900 88 88 GLU HA H 3.950 0.020 1 901 88 88 GLU HB2 H 2.040 0.020 2 902 88 88 GLU HB3 H 2.010 0.020 2 903 88 88 GLU HG2 H 2.310 0.020 2 904 88 88 GLU HG3 H 2.250 0.020 2 905 88 88 GLU C C 178.900 0.200 1 906 88 88 GLU CA C 60.200 0.200 1 907 88 88 GLU CB C 30.300 0.200 1 908 88 88 GLU CG C 36.300 0.200 1 909 88 88 GLU N N 120.800 0.200 1 910 89 89 VAL H H 8.250 0.020 1 911 89 89 VAL HA H 3.730 0.020 1 912 89 89 VAL HB H 2.000 0.020 1 913 89 89 VAL HG1 H 1.020 0.020 2 914 89 89 VAL HG2 H 0.910 0.020 2 915 89 89 VAL C C 178.700 0.200 1 916 89 89 VAL CA C 66.300 0.200 1 917 89 89 VAL CB C 31.700 0.200 1 918 89 89 VAL CG1 C 22.500 0.200 2 919 89 89 VAL CG2 C 21.200 0.200 2 920 89 89 VAL N N 119.500 0.200 1 921 90 90 GLU H H 8.350 0.020 1 922 90 90 GLU HA H 3.850 0.020 1 923 90 90 GLU HB2 H 1.550 0.020 2 924 90 90 GLU HB3 H 0.840 0.020 2 925 90 90 GLU HG2 H 2.150 0.020 2 926 90 90 GLU HG3 H 2.060 0.020 2 927 90 90 GLU C C 177.500 0.200 1 928 90 90 GLU CA C 59.400 0.200 1 929 90 90 GLU CB C 28.600 0.200 1 930 90 90 GLU CG C 37.600 0.200 1 931 90 90 GLU N N 120.100 0.200 1 932 91 91 SER H H 8.150 0.020 1 933 91 91 SER HA H 3.740 0.020 1 934 91 91 SER HB2 H 3.860 0.020 2 935 91 91 SER HB3 H 3.860 0.020 2 936 91 91 SER C C 175.400 0.200 1 937 91 91 SER CA C 63.000 0.200 1 938 91 91 SER CB C 62.800 0.200 1 939 91 91 SER N N 114.200 0.200 1 940 92 92 VAL H H 7.200 0.020 1 941 92 92 VAL HA H 3.790 0.020 1 942 92 92 VAL HB H 2.130 0.020 1 943 92 92 VAL HG1 H 1.090 0.020 2 944 92 92 VAL HG2 H 0.990 0.020 2 945 92 92 VAL C C 178.800 0.200 1 946 92 92 VAL CA C 66.000 0.200 1 947 92 92 VAL CB C 32.000 0.200 1 948 92 92 VAL CG1 C 22.200 0.200 2 949 92 92 VAL CG2 C 21.200 0.200 2 950 92 92 VAL N N 120.000 0.200 1 951 93 93 GLU H H 7.490 0.020 1 952 93 93 GLU HA H 4.230 0.020 1 953 93 93 GLU HB2 H 2.350 0.020 2 954 93 93 GLU HB3 H 2.240 0.020 2 955 93 93 GLU HG2 H 2.530 0.020 2 956 93 93 GLU HG3 H 2.530 0.020 2 957 93 93 GLU C C 179.600 0.200 1 958 93 93 GLU CA C 59.000 0.200 1 959 93 93 GLU CB C 29.700 0.200 1 960 93 93 GLU CG C 36.100 0.200 1 961 93 93 GLU CD C 183.100 0.200 1 962 93 93 GLU N N 120.400 0.200 1 963 94 94 TRP H H 9.110 0.020 1 964 94 94 TRP HA H 4.490 0.020 1 965 94 94 TRP HB2 H 3.260 0.020 2 966 94 94 TRP HB3 H 3.260 0.020 2 967 94 94 TRP HD1 H 7.270 0.020 1 968 94 94 TRP HE1 H 10.390 0.020 1 969 94 94 TRP HZ2 H 7.470 0.020 1 970 94 94 TRP HH2 H 6.890 0.020 1 971 94 94 TRP C C 177.900 0.200 1 972 94 94 TRP CA C 59.500 0.200 1 973 94 94 TRP CB C 29.500 0.200 1 974 94 94 TRP CD1 C 125.300 0.200 1 975 94 94 TRP CZ2 C 114.600 0.200 1 976 94 94 TRP CH2 C 124.100 0.200 1 977 94 94 TRP N N 119.500 0.200 1 978 94 94 TRP NE1 N 128.200 0.200 1 979 95 95 GLU H H 8.520 0.020 1 980 95 95 GLU HA H 3.890 0.020 1 981 95 95 GLU HB2 H 2.240 0.020 2 982 95 95 GLU HB3 H 2.240 0.020 2 983 95 95 GLU HG2 H 2.120 0.020 2 984 95 95 GLU HG3 H 2.120 0.020 2 985 95 95 GLU C C 177.800 0.200 1 986 95 95 GLU CA C 60.300 0.200 1 987 95 95 GLU CB C 29.500 0.200 1 988 95 95 GLU CG C 36.100 0.200 1 989 95 95 GLU N N 119.500 0.200 1 990 96 96 GLY H H 7.510 0.020 1 991 96 96 GLY HA2 H 3.990 0.020 2 992 96 96 GLY HA3 H 3.840 0.020 2 993 96 96 GLY C C 176.600 0.200 1 994 96 96 GLY CA C 47.200 0.200 1 995 96 96 GLY N N 103.100 0.200 1 996 97 97 GLU H H 7.560 0.020 1 997 97 97 GLU HA H 4.120 0.020 1 998 97 97 GLU HB2 H 1.680 0.020 2 999 97 97 GLU HB3 H 1.490 0.020 2 1000 97 97 GLU HG2 H 2.310 0.020 2 1001 97 97 GLU HG3 H 2.220 0.020 2 1002 97 97 GLU C C 179.600 0.200 1 1003 97 97 GLU CA C 58.900 0.200 1 1004 97 97 GLU CB C 29.500 0.200 1 1005 97 97 GLU CG C 35.800 0.200 1 1006 97 97 GLU CD C 182.900 0.200 1 1007 97 97 GLU N N 121.200 0.200 1 1008 98 98 LEU H H 8.510 0.020 1 1009 98 98 LEU HA H 3.650 0.020 1 1010 98 98 LEU HB2 H 1.800 0.020 2 1011 98 98 LEU HB3 H 1.650 0.020 2 1012 98 98 LEU HG H 1.060 0.020 1 1013 98 98 LEU HD1 H 0.860 0.020 2 1014 98 98 LEU HD2 H 0.710 0.020 2 1015 98 98 LEU C C 179.800 0.200 1 1016 98 98 LEU CA C 58.500 0.200 1 1017 98 98 LEU CB C 40.500 0.200 1 1018 98 98 LEU CG C 27.700 0.200 1 1019 98 98 LEU CD1 C 26.700 0.200 2 1020 98 98 LEU CD2 C 23.500 0.200 2 1021 98 98 LEU N N 120.300 0.200 1 1022 99 99 LEU H H 8.020 0.020 1 1023 99 99 LEU HA H 3.810 0.020 1 1024 99 99 LEU HB2 H 1.750 0.020 2 1025 99 99 LEU HB3 H 1.570 0.020 2 1026 99 99 LEU HG H 1.550 0.020 1 1027 99 99 LEU HD1 H 0.860 0.020 2 1028 99 99 LEU HD2 H 0.740 0.020 2 1029 99 99 LEU C C 177.900 0.200 1 1030 99 99 LEU CA C 58.200 0.200 1 1031 99 99 LEU CB C 41.700 0.200 1 1032 99 99 LEU CG C 26.800 0.200 1 1033 99 99 LEU CD1 C 24.700 0.200 2 1034 99 99 LEU CD2 C 24.200 0.200 2 1035 99 99 LEU N N 121.900 0.200 1 1036 100 100 ASN H H 7.820 0.020 1 1037 100 100 ASN HA H 4.490 0.020 1 1038 100 100 ASN HB2 H 2.910 0.020 2 1039 100 100 ASN HB3 H 2.840 0.020 2 1040 100 100 ASN HD21 H 7.570 0.020 2 1041 100 100 ASN HD22 H 6.760 0.020 2 1042 100 100 ASN C C 178.900 0.200 1 1043 100 100 ASN CA C 56.600 0.200 1 1044 100 100 ASN CB C 38.100 0.200 1 1045 100 100 ASN CG C 176.100 0.200 1 1046 100 100 ASN N N 116.800 0.200 1 1047 100 100 ASN ND2 N 112.200 0.200 1 1048 101 101 ARG H H 8.110 0.020 1 1049 101 101 ARG HA H 4.080 0.020 1 1050 101 101 ARG HB2 H 1.820 0.020 2 1051 101 101 ARG HB3 H 1.820 0.020 2 1052 101 101 ARG HG2 H 1.680 0.020 2 1053 101 101 ARG HG3 H 1.680 0.020 2 1054 101 101 ARG HD2 H 3.280 0.020 2 1055 101 101 ARG HD3 H 3.010 0.020 2 1056 101 101 ARG C C 178.300 0.200 1 1057 101 101 ARG CA C 58.500 0.200 1 1058 101 101 ARG CB C 29.300 0.200 1 1059 101 101 ARG CG C 28.000 0.200 1 1060 101 101 ARG CD C 42.500 0.200 1 1061 101 101 ARG N N 118.000 0.200 1 1062 102 102 LEU H H 7.790 0.020 1 1063 102 102 LEU HA H 4.160 0.020 1 1064 102 102 LEU HB2 H 1.750 0.020 2 1065 102 102 LEU HB3 H 1.530 0.020 2 1066 102 102 LEU HG H 1.350 0.020 1 1067 102 102 LEU HD1 H 0.390 0.020 2 1068 102 102 LEU HD2 H 0.120 0.020 2 1069 102 102 LEU C C 177.600 0.200 1 1070 102 102 LEU CA C 57.400 0.200 1 1071 102 102 LEU CB C 42.100 0.200 1 1072 102 102 LEU CG C 26.800 0.200 1 1073 102 102 LEU CD1 C 24.300 0.200 2 1074 102 102 LEU CD2 C 26.400 0.200 2 1075 102 102 LEU N N 121.600 0.200 1 1076 103 103 PHE H H 7.660 0.020 1 1077 103 103 PHE HA H 4.440 0.020 1 1078 103 103 PHE HB2 H 3.240 0.020 2 1079 103 103 PHE HB3 H 3.060 0.020 2 1080 103 103 PHE HD1 H 7.350 0.020 3 1081 103 103 PHE HD2 H 7.350 0.020 3 1082 103 103 PHE C C 178.000 0.200 1 1083 103 103 PHE CA C 60.100 0.200 1 1084 103 103 PHE CB C 38.500 0.200 1 1085 103 103 PHE CD1 C 131.400 0.200 3 1086 103 103 PHE N N 112.700 0.200 1 1087 104 104 GLU H H 7.720 0.020 1 1088 104 104 GLU HA H 4.290 0.020 1 1089 104 104 GLU HB2 H 2.130 0.020 2 1090 104 104 GLU HB3 H 2.130 0.020 2 1091 104 104 GLU HG2 H 2.450 0.020 2 1092 104 104 GLU HG3 H 2.310 0.020 2 1093 104 104 GLU C C 176.800 0.200 1 1094 104 104 GLU CA C 58.300 0.200 1 1095 104 104 GLU CB C 30.700 0.200 1 1096 104 104 GLU CG C 36.200 0.200 1 1097 104 104 GLU CD C 183.600 0.200 1 1098 104 104 GLU N N 118.800 0.200 1 1099 105 105 ASN H H 8.140 0.020 1 1100 105 105 ASN HA H 4.810 0.020 1 1101 105 105 ASN HB2 H 2.960 0.020 2 1102 105 105 ASN HB3 H 2.960 0.020 2 1103 105 105 ASN HD21 H 7.820 0.020 2 1104 105 105 ASN HD22 H 6.900 0.020 2 1105 105 105 ASN C C 174.700 0.200 1 1106 105 105 ASN CA C 53.600 0.200 1 1107 105 105 ASN CB C 39.000 0.200 1 1108 105 105 ASN N N 117.100 0.200 1 1109 105 105 ASN ND2 N 112.400 0.200 1 1110 106 106 ALA H H 8.900 0.020 1 1111 106 106 ALA HA H 4.930 0.020 1 1112 106 106 ALA HB H 1.800 0.020 1 1113 106 106 ALA C C 176.400 0.200 1 1114 106 106 ALA CA C 54.000 0.200 1 1115 106 106 ALA CB C 18.800 0.200 1 1116 106 106 ALA N N 130.200 0.200 1 1117 107 107 THR H H 8.090 0.020 1 1118 107 107 THR HA H 6.020 0.020 1 1119 107 107 THR HB H 4.220 0.020 1 1120 107 107 THR HG2 H 1.250 0.020 1 1121 107 107 THR C C 176.500 0.200 1 1122 107 107 THR CA C 59.000 0.200 1 1123 107 107 THR CB C 70.700 0.200 1 1124 107 107 THR CG2 C 21.300 0.200 1 1125 107 107 THR N N 109.100 0.200 1 1126 108 108 PRO HA H 3.230 0.020 1 1127 108 108 PRO HB2 H 1.630 0.020 2 1128 108 108 PRO HB3 H 1.400 0.020 2 1129 108 108 PRO C C 179.200 0.200 1 1130 108 108 PRO CA C 65.000 0.200 1 1131 108 108 PRO CB C 30.700 0.200 1 1132 108 108 PRO CG C 27.500 0.200 1 1133 108 108 PRO CD C 50.300 0.200 1 1134 109 109 MET H H 7.640 0.020 1 1135 109 109 MET HA H 4.350 0.020 1 1136 109 109 MET HB2 H 2.050 0.020 2 1137 109 109 MET HB3 H 1.860 0.020 2 1138 109 109 MET HG2 H 2.500 0.020 2 1139 109 109 MET HG3 H 2.470 0.020 2 1140 109 109 MET HE H 2.040 0.020 1 1141 109 109 MET C C 177.600 0.200 1 1142 109 109 MET CA C 56.200 0.200 1 1143 109 109 MET CB C 30.300 0.200 1 1144 109 109 MET CG C 32.500 0.200 1 1145 109 109 MET CE C 17.100 0.200 1 1146 109 109 MET N N 113.700 0.200 1 1147 110 110 GLY H H 8.060 0.020 1 1148 110 110 GLY HA2 H 4.070 0.020 2 1149 110 110 GLY HA3 H 3.900 0.020 2 1150 110 110 GLY C C 177.100 0.200 1 1151 110 110 GLY CA C 47.500 0.200 1 1152 110 110 GLY N N 107.800 0.200 1 1153 111 111 GLN H H 6.930 0.020 1 1154 111 111 GLN HA H 4.140 0.020 1 1155 111 111 GLN HB2 H 2.050 0.020 2 1156 111 111 GLN HB3 H 1.910 0.020 2 1157 111 111 GLN HG2 H 2.560 0.020 2 1158 111 111 GLN HG3 H 2.200 0.020 2 1159 111 111 GLN HE21 H 7.510 0.020 2 1160 111 111 GLN HE22 H 6.850 0.020 2 1161 111 111 GLN C C 177.700 0.200 1 1162 111 111 GLN CA C 56.900 0.200 1 1163 111 111 GLN CB C 30.500 0.200 1 1164 111 111 GLN CG C 34.400 0.200 1 1165 111 111 GLN N N 117.600 0.200 1 1166 111 111 GLN NE2 N 111.300 0.200 1 1167 112 112 ALA H H 8.280 0.020 1 1168 112 112 ALA HA H 3.760 0.020 1 1169 112 112 ALA HB H 1.640 0.020 1 1170 112 112 ALA C C 179.100 0.200 1 1171 112 112 ALA CA C 54.900 0.200 1 1172 112 112 ALA CB C 19.700 0.200 1 1173 112 112 ALA N N 121.300 0.200 1 1174 113 113 GLU H H 8.730 0.020 1 1175 113 113 GLU HA H 3.860 0.020 1 1176 113 113 GLU HB2 H 2.060 0.020 2 1177 113 113 GLU HB3 H 2.020 0.020 2 1178 113 113 GLU HG2 H 2.520 0.020 2 1179 113 113 GLU HG3 H 2.220 0.020 2 1180 113 113 GLU C C 179.000 0.200 1 1181 113 113 GLU CA C 59.700 0.200 1 1182 113 113 GLU CB C 29.500 0.200 1 1183 113 113 GLU CG C 37.000 0.200 1 1184 113 113 GLU N N 116.600 0.200 1 1185 114 114 PHE H H 6.840 0.020 1 1186 114 114 PHE HA H 4.020 0.020 1 1187 114 114 PHE HB2 H 3.160 0.020 2 1188 114 114 PHE HB3 H 2.800 0.020 2 1189 114 114 PHE HD1 H 6.720 0.020 3 1190 114 114 PHE HD2 H 6.720 0.020 3 1191 114 114 PHE HE1 H 6.580 0.020 3 1192 114 114 PHE HE2 H 6.580 0.020 3 1193 114 114 PHE C C 175.900 0.200 1 1194 114 114 PHE CA C 61.100 0.200 1 1195 114 114 PHE CB C 38.700 0.200 1 1196 114 114 PHE CD1 C 131.300 0.200 3 1197 114 114 PHE CD2 C 131.300 0.200 3 1198 114 114 PHE CE1 C 131.100 0.200 3 1199 114 114 PHE CE2 C 131.100 0.200 3 1200 114 114 PHE N N 118.800 0.200 1 1201 115 115 LEU H H 7.180 0.020 1 1202 115 115 LEU HA H 3.360 0.020 1 1203 115 115 LEU HB2 H 1.710 0.020 2 1204 115 115 LEU HB3 H 0.950 0.020 2 1205 115 115 LEU HG H 1.620 0.020 1 1206 115 115 LEU HD1 H 0.610 0.020 2 1207 115 115 LEU HD2 H 0.330 0.020 2 1208 115 115 LEU C C 179.000 0.200 1 1209 115 115 LEU CA C 57.900 0.200 1 1210 115 115 LEU CB C 40.600 0.200 1 1211 115 115 LEU CG C 27.000 0.200 1 1212 115 115 LEU CD1 C 25.500 0.200 2 1213 115 115 LEU CD2 C 22.100 0.200 2 1214 115 115 LEU N N 118.200 0.200 1 1215 116 116 ALA H H 8.660 0.020 1 1216 116 116 ALA HA H 4.570 0.020 1 1217 116 116 ALA HB H 1.290 0.020 1 1218 116 116 ALA C C 182.100 0.200 1 1219 116 116 ALA CA C 54.700 0.200 1 1220 116 116 ALA CB C 17.900 0.200 1 1221 116 116 ALA N N 121.200 0.200 1 1222 117 117 GLU H H 7.840 0.020 1 1223 117 117 GLU HA H 3.940 0.020 1 1224 117 117 GLU HB2 H 2.090 0.020 2 1225 117 117 GLU HB3 H 1.890 0.020 2 1226 117 117 GLU HG2 H 2.380 0.020 2 1227 117 117 GLU HG3 H 2.180 0.020 2 1228 117 117 GLU C C 178.400 0.200 1 1229 117 117 GLU CA C 59.100 0.200 1 1230 117 117 GLU CB C 28.800 0.200 1 1231 117 117 GLU CG C 36.300 0.200 1 1232 117 117 GLU CD C 183.500 0.200 1 1233 117 117 GLU N N 121.900 0.200 1 1234 118 118 LYS H H 7.010 0.020 1 1235 118 118 LYS HA H 4.040 0.020 1 1236 118 118 LYS HB2 H 1.900 0.020 2 1237 118 118 LYS HB3 H 1.580 0.020 2 1238 118 118 LYS HG2 H 0.380 0.020 2 1239 118 118 LYS HG3 H -0.210 0.020 2 1240 118 118 LYS HD2 H 1.080 0.020 2 1241 118 118 LYS HD3 H 1.080 0.020 2 1242 118 118 LYS HE2 H 2.120 0.020 2 1243 118 118 LYS HE3 H 1.960 0.020 2 1244 118 118 LYS C C 176.000 0.200 1 1245 118 118 LYS CA C 54.100 0.200 1 1246 118 118 LYS CB C 31.700 0.200 1 1247 118 118 LYS CG C 22.700 0.200 1 1248 118 118 LYS CD C 27.500 0.200 1 1249 118 118 LYS CE C 42.300 0.200 1 1250 118 118 LYS N N 115.400 0.200 1 1251 119 119 GLY H H 7.680 0.020 1 1252 119 119 GLY HA2 H 3.980 0.020 2 1253 119 119 GLY HA3 H 3.430 0.020 2 1254 119 119 GLY C C 174.000 0.200 1 1255 119 119 GLY CA C 44.900 0.200 1 1256 119 119 GLY N N 105.900 0.200 1 1257 120 120 TYR H H 7.990 0.020 1 1258 120 120 TYR HA H 4.470 0.020 1 1259 120 120 TYR HB2 H 2.670 0.020 2 1260 120 120 TYR HB3 H 2.250 0.020 2 1261 120 120 TYR HD1 H 7.080 0.020 3 1262 120 120 TYR HD2 H 7.080 0.020 3 1263 120 120 TYR HE1 H 6.960 0.020 3 1264 120 120 TYR HE2 H 6.960 0.020 3 1265 120 120 TYR C C 175.400 0.200 1 1266 120 120 TYR CA C 58.800 0.200 1 1267 120 120 TYR CB C 40.000 0.200 1 1268 120 120 TYR CD1 C 133.100 0.200 3 1269 120 120 TYR CD2 C 133.100 0.200 3 1270 120 120 TYR CE1 C 118.000 0.200 3 1271 120 120 TYR CE2 C 118.000 0.200 3 1272 120 120 TYR N N 120.300 0.200 1 1273 121 121 GLY H H 8.560 0.020 1 1274 121 121 GLY HA2 H 4.470 0.020 2 1275 121 121 GLY HA3 H 3.850 0.020 2 1276 121 121 GLY C C 173.100 0.200 1 1277 121 121 GLY CA C 46.500 0.200 1 1278 121 121 GLY N N 107.800 0.200 1 1279 122 122 ARG H H 9.140 0.020 1 1280 122 122 ARG HA H 4.620 0.020 1 1281 122 122 ARG HB2 H 1.870 0.020 2 1282 122 122 ARG HB3 H 1.690 0.020 2 1283 122 122 ARG HG2 H 1.620 0.020 2 1284 122 122 ARG HG3 H 1.620 0.020 2 1285 122 122 ARG HD2 H 3.210 0.020 2 1286 122 122 ARG HD3 H 3.210 0.020 2 1287 122 122 ARG C C 174.700 0.200 1 1288 122 122 ARG CA C 54.700 0.200 1 1289 122 122 ARG CB C 30.100 0.200 1 1290 122 122 ARG CG C 26.700 0.200 1 1291 122 122 ARG CD C 43.100 0.200 1 1292 122 122 ARG N N 129.500 0.200 1 1293 123 123 PRO HA H 4.330 0.020 1 1294 123 123 PRO HB2 H 1.750 0.020 2 1295 123 123 PRO HB3 H 1.750 0.020 2 1296 123 123 PRO HG2 H 1.850 0.020 2 1297 123 123 PRO HG3 H 1.190 0.020 2 1298 123 123 PRO HD2 H 3.700 0.020 2 1299 123 123 PRO HD3 H 3.560 0.020 2 1300 123 123 PRO C C 176.300 0.200 1 1301 123 123 PRO CA C 63.600 0.200 1 1302 123 123 PRO CB C 31.800 0.200 1 1303 123 123 PRO CG C 27.300 0.200 1 1304 123 123 PRO CD C 50.600 0.200 1 1305 123 123 PRO N N 136.700 0.200 1 1306 124 124 ASN H H 8.690 0.020 1 1307 124 124 ASN HA H 4.630 0.020 1 1308 124 124 ASN HB2 H 2.860 0.020 2 1309 124 124 ASN HB3 H 2.760 0.020 2 1310 124 124 ASN HD21 H 7.590 0.020 2 1311 124 124 ASN HD22 H 6.900 0.020 2 1312 124 124 ASN C C 175.100 0.200 1 1313 124 124 ASN CA C 53.700 0.200 1 1314 124 124 ASN CB C 38.800 0.200 1 1315 124 124 ASN CG C 177.200 0.200 1 1316 124 124 ASN N N 118.300 0.200 1 1317 124 124 ASN ND2 N 113.100 0.200 1 1318 125 125 GLU H H 8.320 0.020 1 1319 125 125 GLU HA H 4.360 0.020 1 1320 125 125 GLU HB2 H 2.070 0.020 2 1321 125 125 GLU HB3 H 1.930 0.020 2 1322 125 125 GLU HG2 H 2.270 0.020 2 1323 125 125 GLU HG3 H 2.220 0.020 2 1324 125 125 GLU C C 176.200 0.200 1 1325 125 125 GLU CA C 56.500 0.200 1 1326 125 125 GLU CB C 30.600 0.200 1 1327 125 125 GLU CG C 36.300 0.200 1 1328 125 125 GLU N N 121.200 0.200 1 1329 126 126 THR H H 8.220 0.020 1 1330 126 126 THR HA H 4.610 0.020 1 1331 126 126 THR HB H 4.160 0.020 1 1332 126 126 THR HG2 H 1.240 0.020 1 1333 126 126 THR C C 172.100 0.200 1 1334 126 126 THR CA C 59.500 0.200 1 1335 126 126 THR CB C 69.900 0.200 1 1336 126 126 THR CG2 C 21.200 0.200 1 1337 126 126 THR N N 117.700 0.200 1 1338 127 127 PRO HA H 4.230 0.020 1 1339 127 127 PRO HB2 H 2.220 0.020 2 1340 127 127 PRO HB3 H 1.890 0.020 2 1341 127 127 PRO HG2 H 1.970 0.020 2 1342 127 127 PRO HG3 H 1.900 0.020 2 1343 127 127 PRO HD2 H 3.750 0.020 2 1344 127 127 PRO HD3 H 3.670 0.020 2 1345 127 127 PRO C C 182.200 0.200 1 1346 127 127 PRO CA C 65.000 0.200 1 1347 127 127 PRO CB C 32.100 0.200 1 1348 127 127 PRO CG C 27.200 0.200 1 1349 127 127 PRO CD C 50.800 0.200 1 1350 127 127 PRO N N 143.500 0.200 1 stop_ save_