data_16646 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RBD1,2 domains from human nucleolin ; _BMRB_accession_number 16646 _BMRB_flat_file_name bmr16646.str _Entry_type original _Submission_date 2009-12-22 _Accession_date 2009-12-22 _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 Arumugam Sengodagounder . . 2 Miller Clarke . . 3 Maliekal James . . 4 Bates Paula J. . 5 Trent John O. . 6 Lane Andrew N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 915 "13C chemical shifts" 725 "15N chemical shifts" 180 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-13 original author . stop_ _Original_release_date 2010-05-13 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the RBD1,2 domains from human nucleolin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20376532 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Arumugam Sengodagounder . . 2 Miller 'M. Clarke' . . 3 Maliekal James . . 4 Bates Paula J. . 5 Trent John O. . 6 Lane Andrew N. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 47 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 79 _Page_last 83 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RBD1,2 domains from human nucleolin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $RBD1_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RBD1_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RBD1,2 _Molecular_mass 20175.620 _Mol_thiol_state 'not present' loop_ _Biological_function 'RNA packaging' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 180 _Mol_residue_sequence ; GTEPTTAFNLFVGNLNFNKS APELKTGISDVFAKNDLAVV DVRIGMTRKFGYVDFESAED LEKALELTGLKVFGNEIKLE KPKGKDSKKERDARTLLAKN LPYKVTQDELKEVFEDAAEI RLVSKDGKSKGIAYIEFKTE ADAEKTFEEKQGTEIDGRSI SLYYTGEPKGEGLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 THR 3 GLU 4 PRO 5 THR 6 THR 7 ALA 8 PHE 9 ASN 10 LEU 11 PHE 12 VAL 13 GLY 14 ASN 15 LEU 16 ASN 17 PHE 18 ASN 19 LYS 20 SER 21 ALA 22 PRO 23 GLU 24 LEU 25 LYS 26 THR 27 GLY 28 ILE 29 SER 30 ASP 31 VAL 32 PHE 33 ALA 34 LYS 35 ASN 36 ASP 37 LEU 38 ALA 39 VAL 40 VAL 41 ASP 42 VAL 43 ARG 44 ILE 45 GLY 46 MET 47 THR 48 ARG 49 LYS 50 PHE 51 GLY 52 TYR 53 VAL 54 ASP 55 PHE 56 GLU 57 SER 58 ALA 59 GLU 60 ASP 61 LEU 62 GLU 63 LYS 64 ALA 65 LEU 66 GLU 67 LEU 68 THR 69 GLY 70 LEU 71 LYS 72 VAL 73 PHE 74 GLY 75 ASN 76 GLU 77 ILE 78 LYS 79 LEU 80 GLU 81 LYS 82 PRO 83 LYS 84 GLY 85 LYS 86 ASP 87 SER 88 LYS 89 LYS 90 GLU 91 ARG 92 ASP 93 ALA 94 ARG 95 THR 96 LEU 97 LEU 98 ALA 99 LYS 100 ASN 101 LEU 102 PRO 103 TYR 104 LYS 105 VAL 106 THR 107 GLN 108 ASP 109 GLU 110 LEU 111 LYS 112 GLU 113 VAL 114 PHE 115 GLU 116 ASP 117 ALA 118 ALA 119 GLU 120 ILE 121 ARG 122 LEU 123 VAL 124 SER 125 LYS 126 ASP 127 GLY 128 LYS 129 SER 130 LYS 131 GLY 132 ILE 133 ALA 134 TYR 135 ILE 136 GLU 137 PHE 138 LYS 139 THR 140 GLU 141 ALA 142 ASP 143 ALA 144 GLU 145 LYS 146 THR 147 PHE 148 GLU 149 GLU 150 LYS 151 GLN 152 GLY 153 THR 154 GLU 155 ILE 156 ASP 157 GLY 158 ARG 159 SER 160 ILE 161 SER 162 LEU 163 TYR 164 TYR 165 THR 166 GLY 167 GLU 168 PRO 169 LYS 170 GLY 171 GLU 172 GLY 173 LEU 174 GLU 175 HIS 176 HIS 177 HIS 178 HIS 179 HIS 180 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KRR "Solution Structure Of The Rbd1,2 Domains From Human Nucleoli" 100.00 180 100.00 100.00 5.57e-125 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RBD1_2 Human 9606 Eukaryota Metazoa Homo sapiens 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 $RBD1_2 'recombinant technology' 'E. coli' Escherichia coli Rosetta pET21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RBD1_2 1.0 mM '[U-13C; U-15N]' 'potassium chloride' 100 mM 'natural abundance' 'sodium acetate' 20 mM [U-2H] 'sodium azide' 3 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RBD1_2 1.0 mM [U-15N] 'potassium chloride' 100 mM 'natural abundance' 'sodium acetate' 20 mM [U-2H] 'sodium azide' 3 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'P.GUNTERT ET AL.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCACO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 123 . mM pH 5.0 . pH pressure 1 . atm temperature 293 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D HCACO' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 3.980 0.020 2 2 1 1 GLY HA3 H 3.980 0.020 2 3 1 1 GLY C C 170.560 0.400 1 4 1 1 GLY CA C 43.490 0.400 1 5 2 2 THR H H 8.610 0.020 1 6 2 2 THR HA H 4.350 0.020 1 7 2 2 THR HB H 4.240 0.020 1 8 2 2 THR HG2 H 1.200 0.020 1 9 2 2 THR C C 174.430 0.400 1 10 2 2 THR CA C 62.000 0.400 1 11 2 2 THR CB C 69.620 0.400 1 12 2 2 THR CG2 C 21.760 0.400 1 13 2 2 THR N N 112.970 0.400 1 14 3 3 GLU H H 8.370 0.020 1 15 3 3 GLU HA H 4.590 0.020 1 16 3 3 GLU HB2 H 1.830 0.020 2 17 3 3 GLU HB3 H 2.013 0.020 2 18 3 3 GLU HG3 H 2.290 0.020 2 19 3 3 GLU C C 173.900 0.400 1 20 3 3 GLU CA C 54.330 0.400 1 21 3 3 GLU CB C 29.600 0.400 1 22 3 3 GLU CG C 35.230 0.400 1 23 3 3 GLU N N 124.050 0.400 1 24 4 4 PRO HA H 4.370 0.020 1 25 4 4 PRO HB2 H 1.940 0.020 2 26 4 4 PRO HB3 H 2.270 0.020 2 27 4 4 PRO HD2 H 3.640 0.020 2 28 4 4 PRO HD3 H 3.730 0.020 2 29 4 4 PRO HG2 H 1.900 0.020 2 30 4 4 PRO HG3 H 1.970 0.020 2 31 4 4 PRO C C 177.330 0.400 1 32 4 4 PRO CA C 63.040 0.400 1 33 4 4 PRO CB C 32.470 0.400 1 34 4 4 PRO CD C 50.650 0.400 1 35 4 4 PRO CG C 27.660 0.400 1 36 4 4 PRO N N 135.180 0.400 1 37 5 5 THR H H 8.670 0.020 1 38 5 5 THR HA H 4.240 0.020 1 39 5 5 THR HB H 4.190 0.020 1 40 5 5 THR HG2 H 1.200 0.020 1 41 5 5 THR C C 174.870 0.400 1 42 5 5 THR CA C 62.980 0.400 1 43 5 5 THR CB C 69.880 0.400 1 44 5 5 THR CG2 C 22.360 0.400 1 45 5 5 THR N N 115.080 0.400 1 46 6 6 THR H H 7.400 0.020 1 47 6 6 THR HA H 4.530 0.020 1 48 6 6 THR HB H 4.490 0.020 1 49 6 6 THR HG2 H 1.190 0.020 1 50 6 6 THR C C 173.320 0.400 1 51 6 6 THR CA C 59.240 0.400 1 52 6 6 THR CB C 72.250 0.400 1 53 6 6 THR CG2 C 21.960 0.400 1 54 6 6 THR N N 111.010 0.400 1 55 7 7 ALA H H 8.150 0.020 1 56 7 7 ALA HA H 4.210 0.020 1 57 7 7 ALA HB H 0.780 0.020 1 58 7 7 ALA C C 176.460 0.400 1 59 7 7 ALA CA C 51.730 0.400 1 60 7 7 ALA CB C 18.590 0.400 1 61 7 7 ALA N N 120.510 0.400 1 62 8 8 PHE H H 7.890 0.020 1 63 8 8 PHE HA H 4.880 0.020 1 64 8 8 PHE HB2 H 2.880 0.020 2 65 8 8 PHE HB3 H 3.150 0.020 2 66 8 8 PHE HD1 H 7.130 0.020 1 67 8 8 PHE HD2 H 7.130 0.020 1 68 8 8 PHE HE1 H 7.390 0.020 1 69 8 8 PHE HE2 H 7.390 0.020 1 70 8 8 PHE C C 173.480 0.400 1 71 8 8 PHE CA C 55.700 0.400 1 72 8 8 PHE CB C 37.910 0.400 1 73 8 8 PHE CD1 C 131.600 0.400 1 74 8 8 PHE CE1 C 131.600 0.400 1 75 8 8 PHE N N 120.380 0.400 1 76 9 9 ASN H H 8.060 0.020 1 77 9 9 ASN HA H 6.070 0.020 1 78 9 9 ASN HB2 H 2.930 0.020 2 79 9 9 ASN HB3 H 2.490 0.020 2 80 9 9 ASN HD21 H 6.810 0.020 2 81 9 9 ASN HD22 H 7.630 0.020 2 82 9 9 ASN C C 173.790 0.400 1 83 9 9 ASN CA C 51.890 0.400 1 84 9 9 ASN CB C 42.870 0.400 1 85 9 9 ASN CG C 177.100 0.400 1 86 9 9 ASN N N 120.070 0.400 1 87 9 9 ASN ND2 N 112.450 0.400 1 88 10 10 LEU H H 9.420 0.020 1 89 10 10 LEU HA H 5.040 0.020 1 90 10 10 LEU HB2 H 1.880 0.020 2 91 10 10 LEU HB3 H 1.690 0.020 2 92 10 10 LEU HD1 H 1.040 0.020 2 93 10 10 LEU HG H 1.000 0.020 1 94 10 10 LEU C C 175.660 0.400 1 95 10 10 LEU CA C 53.740 0.400 1 96 10 10 LEU CB C 46.520 0.400 1 97 10 10 LEU CD1 C 25.950 0.400 1 98 10 10 LEU CG C 26.680 0.400 1 99 10 10 LEU N N 120.200 0.400 1 100 11 11 PHE H H 9.010 0.020 1 101 11 11 PHE HA H 4.640 0.020 1 102 11 11 PHE HB2 H 2.900 0.020 2 103 11 11 PHE HB3 H 3.090 0.020 2 104 11 11 PHE HD1 H 6.880 0.020 1 105 11 11 PHE HD2 H 6.880 0.020 1 106 11 11 PHE HE1 H 6.940 0.020 1 107 11 11 PHE HE2 H 6.940 0.020 1 108 11 11 PHE C C 173.700 0.400 1 109 11 11 PHE CA C 57.710 0.400 1 110 11 11 PHE CB C 40.550 0.400 1 111 11 11 PHE CD1 C 131.880 0.400 1 112 11 11 PHE CE1 C 130.960 0.400 1 113 11 11 PHE N N 124.790 0.400 1 114 12 12 VAL H H 8.210 0.020 1 115 12 12 VAL HA H 4.950 0.020 1 116 12 12 VAL HB H 1.640 0.020 1 117 12 12 VAL HG1 H 0.780 0.020 2 118 12 12 VAL HG2 H 0.760 0.020 2 119 12 12 VAL C C 173.380 0.400 1 120 12 12 VAL CA C 58.850 0.400 1 121 12 12 VAL CB C 33.870 0.400 1 122 12 12 VAL CG1 C 21.300 0.400 1 123 12 12 VAL CG2 C 22.010 0.400 1 124 12 12 VAL N N 124.640 0.400 1 125 13 13 GLY H H 9.110 0.020 1 126 13 13 GLY HA2 H 4.750 0.020 2 127 13 13 GLY HA3 H 3.860 0.020 2 128 13 13 GLY C C 174.120 0.400 1 129 13 13 GLY CA C 43.140 0.400 1 130 13 13 GLY N N 111.200 0.400 1 131 14 14 ASN H H 8.750 0.020 1 132 14 14 ASN HA H 4.650 0.020 1 133 14 14 ASN HB2 H 3.810 0.020 2 134 14 14 ASN HB3 H 2.430 0.020 2 135 14 14 ASN HD21 H 8.200 0.020 2 136 14 14 ASN HD22 H 6.880 0.020 2 137 14 14 ASN C C 176.140 0.400 1 138 14 14 ASN CA C 54.290 0.400 1 139 14 14 ASN CB C 38.470 0.400 1 140 14 14 ASN CG C 179.230 0.400 1 141 14 14 ASN N N 114.430 0.400 1 142 14 14 ASN ND2 N 111.480 0.400 1 143 15 15 LEU H H 7.600 0.020 1 144 15 15 LEU HA H 4.040 0.020 1 145 15 15 LEU HB2 H 1.990 0.020 2 146 15 15 LEU HB3 H 1.070 0.020 2 147 15 15 LEU HD1 H 0.560 0.020 2 148 15 15 LEU HD2 H 0.410 0.020 2 149 15 15 LEU HG H 1.270 0.020 1 150 15 15 LEU C C 177.940 0.400 1 151 15 15 LEU CA C 54.550 0.400 1 152 15 15 LEU CB C 41.320 0.400 1 153 15 15 LEU CD1 C 22.830 0.400 1 154 15 15 LEU CD2 C 25.710 0.400 1 155 15 15 LEU CG C 27.230 0.400 1 156 15 15 LEU N N 113.740 0.400 1 157 16 16 ASN H H 8.310 0.020 1 158 16 16 ASN HA H 4.460 0.020 1 159 16 16 ASN HB2 H 2.470 0.020 2 160 16 16 ASN HB3 H 3.040 0.020 2 161 16 16 ASN HD21 H 7.130 0.020 2 162 16 16 ASN HD22 H 7.870 0.020 2 163 16 16 ASN C C 173.750 0.400 1 164 16 16 ASN CA C 52.230 0.400 1 165 16 16 ASN CB C 36.560 0.400 1 166 16 16 ASN CG C 176.320 0.400 1 167 16 16 ASN N N 116.280 0.400 1 168 16 16 ASN ND2 N 109.450 0.400 1 169 17 17 PHE H H 7.020 0.020 1 170 17 17 PHE HA H 4.490 0.020 1 171 17 17 PHE HB2 H 2.540 0.020 2 172 17 17 PHE HB3 H 3.520 0.020 2 173 17 17 PHE HD1 H 7.250 0.020 1 174 17 17 PHE HD2 H 7.250 0.020 1 175 17 17 PHE HE1 H 7.480 0.020 1 176 17 17 PHE HE2 H 7.480 0.020 1 177 17 17 PHE C C 175.180 0.400 1 178 17 17 PHE CA C 57.150 0.400 1 179 17 17 PHE CB C 38.870 0.400 1 180 17 17 PHE CD1 C 132.170 0.400 1 181 17 17 PHE CE1 C 132.060 0.400 1 182 17 17 PHE N N 122.710 0.400 1 183 18 18 ASN H H 7.570 0.020 1 184 18 18 ASN HA H 4.530 0.020 1 185 18 18 ASN HB2 H 2.520 0.020 2 186 18 18 ASN HB3 H 2.620 0.020 2 187 18 18 ASN HD21 H 7.270 0.020 2 188 18 18 ASN HD22 H 6.590 0.020 2 189 18 18 ASN C C 176.270 0.400 1 190 18 18 ASN CA C 54.460 0.400 1 191 18 18 ASN CB C 38.610 0.400 1 192 18 18 ASN CG C 176.380 0.400 1 193 18 18 ASN N N 118.750 0.400 1 194 18 18 ASN ND2 N 114.380 0.400 1 195 19 19 LYS H H 7.490 0.020 1 196 19 19 LYS HA H 4.270 0.020 1 197 19 19 LYS HB2 H 1.760 0.020 2 198 19 19 LYS HB3 H 1.390 0.020 2 199 19 19 LYS C C 174.810 0.400 1 200 19 19 LYS CA C 52.610 0.400 1 201 19 19 LYS CB C 31.070 0.400 1 202 19 19 LYS N N 119.400 0.400 1 203 20 20 SER H H 8.410 0.020 1 204 20 20 SER HA H 4.290 0.020 1 205 20 20 SER HB2 H 3.990 0.020 2 206 20 20 SER HB3 H 4.180 0.020 2 207 20 20 SER C C 174.440 0.400 1 208 20 20 SER CA C 57.590 0.400 1 209 20 20 SER CB C 65.080 0.400 1 210 20 20 SER N N 114.540 0.400 1 211 21 21 ALA H H 9.430 0.020 1 212 21 21 ALA HA H 4.240 0.020 1 213 21 21 ALA HB H 1.530 0.020 1 214 21 21 ALA C C 176.740 0.400 1 215 21 21 ALA CA C 57.280 0.400 1 216 21 21 ALA CB C 15.590 0.400 1 217 21 21 ALA N N 122.540 0.400 1 218 22 22 PRO HA H 4.260 0.020 1 219 22 22 PRO HB2 H 2.420 0.020 2 220 22 22 PRO HB3 H 1.830 0.020 2 221 22 22 PRO HD2 H 3.840 0.020 2 222 22 22 PRO HG2 H 1.970 0.020 2 223 22 22 PRO HG3 H 2.170 0.020 2 224 22 22 PRO C C 179.920 0.400 1 225 22 22 PRO CA C 66.480 0.400 1 226 22 22 PRO CB C 31.240 0.400 1 227 22 22 PRO CD C 51.230 0.400 1 228 22 22 PRO CG C 28.630 0.400 1 229 23 23 GLU H H 7.250 0.020 1 230 23 23 GLU HA H 4.130 0.020 1 231 23 23 GLU HB2 H 2.290 0.020 2 232 23 23 GLU HB3 H 1.810 0.020 2 233 23 23 GLU HG2 H 2.060 0.020 2 234 23 23 GLU HG3 H 2.250 0.020 2 235 23 23 GLU C C 179.700 0.400 1 236 23 23 GLU CA C 59.040 0.400 1 237 23 23 GLU CB C 29.820 0.400 1 238 23 23 GLU CG C 37.550 0.400 1 239 23 23 GLU N N 116.350 0.400 1 240 24 24 LEU H H 8.550 0.020 1 241 24 24 LEU HA H 4.140 0.020 1 242 24 24 LEU HB2 H 1.170 0.020 2 243 24 24 LEU HB3 H 2.090 0.020 2 244 24 24 LEU HD1 H 0.800 0.020 2 245 24 24 LEU HD2 H 1.030 0.020 2 246 24 24 LEU C C 178.440 0.400 1 247 24 24 LEU CA C 58.580 0.400 1 248 24 24 LEU CB C 42.660 0.400 1 249 24 24 LEU CD1 C 26.130 0.400 1 250 24 24 LEU CD2 C 23.020 0.400 1 251 24 24 LEU CG C 26.270 0.400 1 252 24 24 LEU N N 120.960 0.400 1 253 25 25 LYS H H 8.670 0.020 1 254 25 25 LYS HA H 3.740 0.020 1 255 25 25 LYS HB2 H 1.860 0.020 2 256 25 25 LYS HB3 H 1.970 0.020 2 257 25 25 LYS HE2 H 3.060 0.020 2 258 25 25 LYS HG2 H 1.240 0.020 2 259 25 25 LYS HG3 H 1.550 0.020 2 260 25 25 LYS C C 179.170 0.400 1 261 25 25 LYS CA C 61.030 0.400 1 262 25 25 LYS CB C 32.290 0.400 1 263 25 25 LYS CD C 29.820 0.400 1 264 25 25 LYS CG C 25.770 0.400 1 265 25 25 LYS N N 119.580 0.400 1 266 26 26 THR H H 8.000 0.020 1 267 26 26 THR HA H 3.980 0.020 1 268 26 26 THR HB H 4.300 0.020 1 269 26 26 THR HG2 H 1.300 0.020 1 270 26 26 THR C C 176.270 0.400 1 271 26 26 THR CA C 66.300 0.400 1 272 26 26 THR CB C 68.920 0.400 1 273 26 26 THR CG2 C 22.160 0.400 1 274 26 26 THR N N 116.490 0.400 1 275 27 27 GLY H H 8.960 0.020 1 276 27 27 GLY HA2 H 3.880 0.020 2 277 27 27 GLY HA3 H 3.390 0.020 2 278 27 27 GLY C C 176.660 0.400 1 279 27 27 GLY CA C 47.390 0.400 1 280 27 27 GLY N N 109.490 0.400 1 281 28 28 ILE H H 8.750 0.020 1 282 28 28 ILE HA H 3.650 0.020 1 283 28 28 ILE HB H 1.960 0.020 1 284 28 28 ILE HD1 H 0.610 0.020 1 285 28 28 ILE HG12 H 1.890 0.020 2 286 28 28 ILE HG13 H 0.770 0.020 2 287 28 28 ILE HG2 H 0.950 0.020 1 288 28 28 ILE C C 176.960 0.400 1 289 28 28 ILE CA C 64.690 0.400 1 290 28 28 ILE CB C 37.850 0.400 1 291 28 28 ILE CD1 C 14.090 0.400 1 292 28 28 ILE CG1 C 30.050 0.400 1 293 28 28 ILE CG2 C 18.510 0.400 1 294 28 28 ILE N N 121.770 0.400 1 295 29 29 SER H H 8.100 0.020 1 296 29 29 SER HA H 4.030 0.020 1 297 29 29 SER HB2 H 4.100 0.020 2 298 29 29 SER C C 177.880 0.400 1 299 29 29 SER CA C 62.470 0.400 1 300 29 29 SER CB C 62.750 0.400 1 301 29 29 SER N N 114.410 0.400 1 302 30 30 ASP H H 8.790 0.020 1 303 30 30 ASP HA H 4.520 0.020 1 304 30 30 ASP HB2 H 2.870 0.020 2 305 30 30 ASP HB3 H 2.610 0.020 2 306 30 30 ASP C C 178.380 0.400 1 307 30 30 ASP CA C 57.480 0.400 1 308 30 30 ASP CB C 41.020 0.400 1 309 30 30 ASP N N 120.250 0.400 1 310 31 31 VAL H H 7.680 0.020 1 311 31 31 VAL HA H 3.970 0.020 1 312 31 31 VAL HB H 1.950 0.020 1 313 31 31 VAL HG1 H 0.620 0.020 2 314 31 31 VAL HG2 H 0.870 0.020 2 315 31 31 VAL C C 177.910 0.400 1 316 31 31 VAL CA C 65.680 0.400 1 317 31 31 VAL CB C 30.990 0.400 1 318 31 31 VAL CG1 C 20.660 0.400 1 319 31 31 VAL CG2 C 23.850 0.400 1 320 31 31 VAL N N 119.660 0.400 1 321 32 32 PHE H H 7.530 0.020 1 322 32 32 PHE HA H 4.350 0.020 1 323 32 32 PHE HB2 H 2.900 0.020 2 324 32 32 PHE HB3 H 3.460 0.020 2 325 32 32 PHE HD1 H 7.350 0.020 1 326 32 32 PHE HD2 H 7.350 0.020 1 327 32 32 PHE HE1 H 7.120 0.020 1 328 32 32 PHE HE2 H 7.120 0.020 1 329 32 32 PHE HZ H 7.160 0.020 1 330 32 32 PHE C C 178.820 0.400 1 331 32 32 PHE CA C 63.860 0.400 1 332 32 32 PHE CB C 37.850 0.400 1 333 32 32 PHE CD1 C 131.520 0.400 1 334 32 32 PHE CE1 C 130.520 0.400 1 335 32 32 PHE CZ C 128.630 0.400 1 336 32 32 PHE N N 120.020 0.400 1 337 33 33 ALA H H 8.630 0.020 1 338 33 33 ALA HA H 4.330 0.020 1 339 33 33 ALA HB H 1.680 0.020 1 340 33 33 ALA C C 182.320 0.400 1 341 33 33 ALA CA C 55.850 0.400 1 342 33 33 ALA CB C 17.930 0.400 1 343 33 33 ALA N N 125.830 0.400 1 344 34 34 LYS H H 8.170 0.020 1 345 34 34 LYS HA H 4.210 0.020 1 346 34 34 LYS HB2 H 1.960 0.020 2 347 34 34 LYS HD2 H 1.680 0.020 2 348 34 34 LYS HG2 H 1.580 0.020 2 349 34 34 LYS C C 176.750 0.400 1 350 34 34 LYS CA C 58.260 0.400 1 351 34 34 LYS CB C 32.250 0.400 1 352 34 34 LYS CD C 29.110 0.400 1 353 34 34 LYS CG C 25.290 0.400 1 354 34 34 LYS N N 119.010 0.400 1 355 35 35 ASN H H 7.600 0.020 1 356 35 35 ASN HA H 4.770 0.020 1 357 35 35 ASN HB2 H 3.090 0.020 2 358 35 35 ASN HB3 H 2.450 0.020 2 359 35 35 ASN HD21 H 7.570 0.020 2 360 35 35 ASN HD22 H 7.380 0.020 2 361 35 35 ASN C C 172.100 0.400 1 362 35 35 ASN CA C 53.690 0.400 1 363 35 35 ASN CB C 41.100 0.400 1 364 35 35 ASN CG C 178.060 0.400 1 365 35 35 ASN N N 117.650 0.400 1 366 35 35 ASN ND2 N 116.020 0.400 1 367 36 36 ASP H H 7.940 0.020 1 368 36 36 ASP HA H 4.350 0.020 1 369 36 36 ASP HB2 H 2.760 0.020 2 370 36 36 ASP HB3 H 3.090 0.020 2 371 36 36 ASP C C 174.150 0.400 1 372 36 36 ASP CA C 55.620 0.400 1 373 36 36 ASP CB C 38.660 0.400 1 374 36 36 ASP N N 112.880 0.400 1 375 37 37 LEU H H 7.950 0.020 1 376 37 37 LEU HA H 4.740 0.020 1 377 37 37 LEU HB2 H 1.830 0.020 2 378 37 37 LEU HB3 H 1.170 0.020 2 379 37 37 LEU HD2 H 0.880 0.020 2 380 37 37 LEU HG H 1.660 0.020 1 381 37 37 LEU C C 174.840 0.400 1 382 37 37 LEU CA C 53.640 0.400 1 383 37 37 LEU CB C 45.620 0.400 1 384 37 37 LEU CD2 C 24.290 0.400 1 385 37 37 LEU CG C 26.700 0.400 1 386 37 37 LEU N N 119.350 0.400 1 387 38 38 ALA H H 8.910 0.020 1 388 38 38 ALA HA H 4.430 0.020 1 389 38 38 ALA HB H 1.340 0.020 1 390 38 38 ALA C C 176.750 0.400 1 391 38 38 ALA CA C 50.920 0.400 1 392 38 38 ALA CB C 18.650 0.400 1 393 38 38 ALA N N 127.870 0.400 1 394 39 39 VAL H H 7.950 0.020 1 395 39 39 VAL HA H 3.930 0.020 1 396 39 39 VAL HB H 1.840 0.020 1 397 39 39 VAL HG1 H 0.500 0.020 2 398 39 39 VAL HG2 H 0.730 0.020 2 399 39 39 VAL C C 176.000 0.400 1 400 39 39 VAL CA C 61.230 0.400 1 401 39 39 VAL CB C 32.210 0.400 1 402 39 39 VAL CG1 C 22.710 0.400 1 403 39 39 VAL CG2 C 19.810 0.400 1 404 39 39 VAL N N 119.500 0.400 1 405 40 40 VAL H H 8.710 0.020 1 406 40 40 VAL HA H 3.900 0.020 1 407 40 40 VAL HB H 1.590 0.020 1 408 40 40 VAL HG1 H 0.890 0.020 2 409 40 40 VAL HG2 H 0.860 0.020 2 410 40 40 VAL C C 176.000 0.400 1 411 40 40 VAL CA C 64.070 0.400 1 412 40 40 VAL CB C 32.570 0.400 1 413 40 40 VAL CG1 C 21.260 0.400 1 414 40 40 VAL CG2 C 22.000 0.400 1 415 40 40 VAL N N 123.550 0.400 1 416 41 41 ASP H H 7.320 0.020 1 417 41 41 ASP HA H 4.770 0.020 1 418 41 41 ASP HB2 H 2.610 0.020 2 419 41 41 ASP HB3 H 2.700 0.020 2 420 41 41 ASP C C 173.630 0.400 1 421 41 41 ASP CA C 53.500 0.400 1 422 41 41 ASP CB C 43.970 0.400 1 423 41 41 ASP N N 114.580 0.400 1 424 42 42 VAL H H 8.180 0.020 1 425 42 42 VAL HA H 4.670 0.020 1 426 42 42 VAL HB H 1.860 0.020 1 427 42 42 VAL HG1 H 0.950 0.020 2 428 42 42 VAL HG2 H 0.850 0.020 2 429 42 42 VAL C C 174.100 0.400 1 430 42 42 VAL CA C 61.580 0.400 1 431 42 42 VAL CB C 35.160 0.400 1 432 42 42 VAL CG1 C 21.800 0.400 1 433 42 42 VAL CG2 C 22.140 0.400 1 434 42 42 VAL N N 120.680 0.400 1 435 43 43 ARG H H 9.260 0.020 1 436 43 43 ARG HA H 4.640 0.020 1 437 43 43 ARG HB2 H 1.740 0.020 2 438 43 43 ARG HB3 H 1.790 0.020 2 439 43 43 ARG HG2 H 1.500 0.020 2 440 43 43 ARG C C 174.950 0.400 1 441 43 43 ARG CA C 54.390 0.400 1 442 43 43 ARG CB C 32.420 0.400 1 443 43 43 ARG CG C 27.840 0.400 1 444 43 43 ARG N N 126.690 0.400 1 445 44 44 ILE H H 8.860 0.020 1 446 44 44 ILE HA H 4.160 0.020 1 447 44 44 ILE HB H 2.040 0.020 1 448 44 44 ILE HD1 H 0.380 0.020 1 449 44 44 ILE HG12 H 1.470 0.020 2 450 44 44 ILE HG2 H 1.010 0.020 1 451 44 44 ILE C C 176.630 0.400 1 452 44 44 ILE CA C 58.170 0.400 1 453 44 44 ILE CB C 36.530 0.400 1 454 44 44 ILE CD1 C 9.850 0.400 1 455 44 44 ILE CG1 C 26.550 0.400 1 456 44 44 ILE CG2 C 17.710 0.400 1 457 44 44 ILE N N 124.320 0.400 1 458 45 45 GLY H H 8.670 0.020 1 459 45 45 GLY HA2 H 2.970 0.020 2 460 45 45 GLY HA3 H 4.060 0.020 2 461 45 45 GLY C C 176.100 0.400 1 462 45 45 GLY CA C 45.040 0.400 1 463 45 45 GLY N N 114.780 0.400 1 464 46 46 MET H H 8.870 0.020 1 465 46 46 MET HA H 4.220 0.020 1 466 46 46 MET HB2 H 2.170 0.020 2 467 46 46 MET HB3 H 2.270 0.020 2 468 46 46 MET HG2 H 2.700 0.020 2 469 46 46 MET HG3 H 2.740 0.020 2 470 46 46 MET C C 177.890 0.400 1 471 46 46 MET CA C 59.090 0.400 1 472 46 46 MET CB C 32.450 0.400 1 473 46 46 MET CG C 32.090 0.400 1 474 46 46 MET N N 121.160 0.400 1 475 47 47 THR HA H 4.180 0.020 1 476 47 47 THR HB H 4.380 0.020 1 477 47 47 THR HG2 H 1.360 0.020 1 478 47 47 THR C C 174.710 0.400 1 479 47 47 THR CA C 61.780 0.400 1 480 47 47 THR CB C 70.350 0.400 1 481 47 47 THR CG2 C 22.020 0.400 1 482 48 48 ARG H H 7.770 0.020 1 483 48 48 ARG HA H 3.380 0.020 1 484 48 48 ARG HB2 H 1.840 0.020 2 485 48 48 ARG HB3 H 1.710 0.020 2 486 48 48 ARG HD2 H 2.920 0.020 2 487 48 48 ARG HD3 H 2.490 0.020 2 488 48 48 ARG C C 172.270 0.400 1 489 48 48 ARG CA C 58.200 0.400 1 490 48 48 ARG CB C 26.540 0.400 1 491 48 48 ARG CD C 43.307 0.400 1 492 48 48 ARG N N 111.410 0.400 1 493 49 49 LYS H H 7.080 0.020 1 494 49 49 LYS HA H 4.400 0.020 1 495 49 49 LYS HB2 H 1.620 0.020 2 496 49 49 LYS HB3 H 2.210 0.020 2 497 49 49 LYS C C 176.340 0.400 1 498 49 49 LYS CA C 57.860 0.400 1 499 49 49 LYS CB C 34.280 0.400 1 500 49 49 LYS CD C 29.380 0.400 1 501 49 49 LYS CG C 27.390 0.400 1 502 49 49 LYS N N 110.970 0.400 1 503 50 50 PHE H H 7.340 0.020 1 504 50 50 PHE HA H 5.240 0.020 1 505 50 50 PHE HB2 H 3.040 0.020 2 506 50 50 PHE HB3 H 2.840 0.020 2 507 50 50 PHE HD1 H 6.930 0.020 1 508 50 50 PHE HD2 H 6.930 0.020 1 509 50 50 PHE HE1 H 7.590 0.020 1 510 50 50 PHE HE2 H 7.590 0.020 1 511 50 50 PHE C C 173.320 0.400 1 512 50 50 PHE CA C 54.700 0.400 1 513 50 50 PHE CB C 42.760 0.400 1 514 50 50 PHE CD1 C 132.800 0.400 1 515 50 50 PHE CE1 C 131.380 0.400 1 516 50 50 PHE N N 114.000 0.400 1 517 51 51 GLY H H 8.840 0.020 1 518 51 51 GLY HA2 H 3.780 0.020 2 519 51 51 GLY HA3 H 4.080 0.020 2 520 51 51 GLY C C 169.470 0.400 1 521 51 51 GLY CA C 45.450 0.400 1 522 51 51 GLY N N 108.020 0.400 1 523 52 52 TYR H H 9.130 0.020 1 524 52 52 TYR HA H 5.670 0.020 1 525 52 52 TYR HB2 H 2.570 0.020 2 526 52 52 TYR HB3 H 2.940 0.020 2 527 52 52 TYR HD1 H 7.110 0.020 1 528 52 52 TYR HD2 H 7.110 0.020 1 529 52 52 TYR HE1 H 7.030 0.020 1 530 52 52 TYR HE2 H 7.030 0.020 1 531 52 52 TYR C C 174.440 0.400 1 532 52 52 TYR CA C 56.790 0.400 1 533 52 52 TYR CB C 43.740 0.400 1 534 52 52 TYR CD1 C 133.400 0.400 1 535 52 52 TYR CE1 C 118.010 0.400 1 536 52 52 TYR N N 116.510 0.400 1 537 53 53 VAL H H 9.210 0.020 1 538 53 53 VAL HA H 4.580 0.020 1 539 53 53 VAL HB H 1.650 0.020 1 540 53 53 VAL HG1 H 0.740 0.020 2 541 53 53 VAL HG2 H 0.330 0.020 2 542 53 53 VAL C C 173.040 0.400 1 543 53 53 VAL CA C 60.160 0.400 1 544 53 53 VAL CB C 34.890 0.400 1 545 53 53 VAL CG1 C 22.580 0.400 1 546 53 53 VAL CG2 C 22.650 0.400 1 547 53 53 VAL N N 119.610 0.400 1 548 54 54 ASP H H 8.130 0.020 1 549 54 54 ASP HA H 5.470 0.020 1 550 54 54 ASP HB2 H 2.820 0.020 2 551 54 54 ASP HB3 H 2.320 0.020 2 552 54 54 ASP C C 175.220 0.400 1 553 54 54 ASP CA C 52.650 0.400 1 554 54 54 ASP CB C 42.510 0.400 1 555 54 54 ASP N N 124.680 0.400 1 556 55 55 PHE H H 9.160 0.020 1 557 55 55 PHE HA H 4.850 0.020 1 558 55 55 PHE HB2 H 2.760 0.020 2 559 55 55 PHE HB3 H 3.480 0.020 2 560 55 55 PHE HD1 H 7.240 0.020 1 561 55 55 PHE HD2 H 7.240 0.020 1 562 55 55 PHE HE1 H 6.610 0.020 1 563 55 55 PHE HE2 H 6.610 0.020 1 564 55 55 PHE HZ H 5.790 0.020 1 565 55 55 PHE C C 176.100 0.400 1 566 55 55 PHE CA C 57.540 0.400 1 567 55 55 PHE CB C 42.640 0.400 1 568 55 55 PHE CD1 C 131.190 0.400 1 569 55 55 PHE CE1 C 130.700 0.400 1 570 55 55 PHE CZ C 129.090 0.400 1 571 55 55 PHE N N 119.720 0.400 1 572 56 56 GLU H H 10.330 0.020 1 573 56 56 GLU HA H 4.270 0.020 1 574 56 56 GLU HB2 H 2.140 0.020 2 575 56 56 GLU HG2 H 2.460 0.020 2 576 56 56 GLU C C 176.040 0.400 1 577 56 56 GLU CA C 57.960 0.400 1 578 56 56 GLU CB C 30.380 0.400 1 579 56 56 GLU CG C 35.200 0.400 1 580 56 56 GLU N N 119.560 0.400 1 581 57 57 SER H H 7.270 0.020 1 582 57 57 SER HA H 4.090 0.020 1 583 57 57 SER HB2 H 3.930 0.020 2 584 57 57 SER HB3 H 4.080 0.020 2 585 57 57 SER C C 172.670 0.400 1 586 57 57 SER CA C 55.680 0.400 1 587 57 57 SER CB C 67.220 0.400 1 588 57 57 SER N N 108.270 0.400 1 589 58 58 ALA H H 7.900 0.020 1 590 58 58 ALA HA H 3.530 0.020 1 591 58 58 ALA HB H 1.270 0.020 1 592 58 58 ALA C C 179.870 0.400 1 593 58 58 ALA CA C 54.370 0.400 1 594 58 58 ALA CB C 18.020 0.400 1 595 58 58 ALA N N 123.030 0.400 1 596 59 59 GLU H H 8.410 0.020 1 597 59 59 GLU HA H 3.890 0.020 1 598 59 59 GLU HB2 H 1.850 0.020 2 599 59 59 GLU HB3 H 2.000 0.020 2 600 59 59 GLU HG2 H 2.390 0.020 2 601 59 59 GLU HG3 H 2.230 0.020 2 602 59 59 GLU C C 178.900 0.400 1 603 59 59 GLU CA C 60.050 0.400 1 604 59 59 GLU CB C 28.540 0.400 1 605 59 59 GLU CG C 36.680 0.400 1 606 59 59 GLU N N 118.160 0.400 1 607 60 60 ASP H H 7.680 0.020 1 608 60 60 ASP HA H 4.160 0.020 1 609 60 60 ASP HB2 H 2.550 0.020 2 610 60 60 ASP HB3 H 2.690 0.020 2 611 60 60 ASP C C 176.460 0.400 1 612 60 60 ASP CA C 56.880 0.400 1 613 60 60 ASP CB C 40.300 0.400 1 614 60 60 ASP N N 121.710 0.400 1 615 61 61 LEU H H 7.010 0.020 1 616 61 61 LEU HA H 2.890 0.020 1 617 61 61 LEU HB2 H 1.900 0.020 2 618 61 61 LEU HB3 H 1.360 0.020 2 619 61 61 LEU HD1 H 0.980 0.020 2 620 61 61 LEU HD2 H 0.980 0.020 2 621 61 61 LEU HG H 1.490 0.020 1 622 61 61 LEU C C 177.330 0.400 1 623 61 61 LEU CA C 58.470 0.400 1 624 61 61 LEU CB C 42.040 0.400 1 625 61 61 LEU CD1 C 26.030 0.400 1 626 61 61 LEU CD2 C 27.280 0.400 1 627 61 61 LEU CG C 27.210 0.400 1 628 61 61 LEU N N 119.940 0.400 1 629 62 62 GLU H H 7.930 0.020 1 630 62 62 GLU HA H 3.860 0.020 1 631 62 62 GLU HB2 H 2.000 0.020 2 632 62 62 GLU HG2 H 2.370 0.020 2 633 62 62 GLU C C 179.160 0.400 1 634 62 62 GLU CA C 58.490 0.400 1 635 62 62 GLU CB C 28.420 0.400 1 636 62 62 GLU CG C 34.880 0.400 1 637 62 62 GLU N N 116.710 0.400 1 638 63 63 LYS H H 7.680 0.020 1 639 63 63 LYS HA H 3.910 0.020 1 640 63 63 LYS HB2 H 1.840 0.020 2 641 63 63 LYS HB3 H 1.930 0.020 2 642 63 63 LYS HE2 H 2.950 0.020 2 643 63 63 LYS HG2 H 1.380 0.020 2 644 63 63 LYS C C 179.730 0.400 1 645 63 63 LYS CA C 59.360 0.400 1 646 63 63 LYS CB C 32.420 0.400 1 647 63 63 LYS CD C 29.500 0.400 1 648 63 63 LYS CG C 25.740 0.400 1 649 63 63 LYS N N 118.920 0.400 1 650 64 64 ALA H H 8.020 0.020 1 651 64 64 ALA HA H 3.810 0.020 1 652 64 64 ALA HB H 1.040 0.020 1 653 64 64 ALA C C 178.980 0.400 1 654 64 64 ALA CA C 55.110 0.400 1 655 64 64 ALA CB C 19.580 0.400 1 656 64 64 ALA N N 122.370 0.400 1 657 65 65 LEU H H 7.490 0.020 1 658 65 65 LEU HA H 3.990 0.020 1 659 65 65 LEU HB2 H 1.610 0.020 2 660 65 65 LEU HB3 H 1.870 0.020 2 661 65 65 LEU HD1 H 0.930 0.020 2 662 65 65 LEU HG H 1.780 0.020 1 663 65 65 LEU C C 178.150 0.400 1 664 65 65 LEU CA C 56.710 0.400 1 665 65 65 LEU CB C 42.500 0.400 1 666 65 65 LEU CD1 C 26.210 0.400 1 667 65 65 LEU CG C 27.190 0.400 1 668 65 65 LEU N N 113.740 0.400 1 669 66 66 GLU H H 7.380 0.020 1 670 66 66 GLU HA H 4.320 0.020 1 671 66 66 GLU HB2 H 1.960 0.020 2 672 66 66 GLU HB3 H 2.070 0.020 2 673 66 66 GLU HG2 H 2.380 0.020 2 674 66 66 GLU HG3 H 2.650 0.020 2 675 66 66 GLU C C 177.140 0.400 1 676 66 66 GLU CA C 56.630 0.400 1 677 66 66 GLU CB C 30.190 0.400 1 678 66 66 GLU CG C 35.020 0.400 1 679 66 66 GLU N N 116.080 0.400 1 680 67 67 LEU H H 7.470 0.020 1 681 67 67 LEU HA H 4.400 0.020 1 682 67 67 LEU HB2 H 2.130 0.020 2 683 67 67 LEU HB3 H 1.300 0.020 2 684 67 67 LEU HD1 H 1.030 0.020 2 685 67 67 LEU HD2 H 0.900 0.020 2 686 67 67 LEU HG H 2.180 0.020 1 687 67 67 LEU C C 176.800 0.400 1 688 67 67 LEU CA C 55.400 0.400 1 689 67 67 LEU CB C 41.960 0.400 1 690 67 67 LEU CD1 C 26.820 0.400 1 691 67 67 LEU CD2 C 22.560 0.400 1 692 67 67 LEU CG C 26.010 0.400 1 693 67 67 LEU N N 120.710 0.400 1 694 68 68 THR H H 8.160 0.020 1 695 68 68 THR HA H 4.660 0.020 1 696 68 68 THR HB H 4.220 0.020 1 697 68 68 THR HG2 H 1.220 0.020 1 698 68 68 THR C C 174.580 0.400 1 699 68 68 THR CA C 60.470 0.400 1 700 68 68 THR CB C 71.210 0.400 1 701 68 68 THR CG2 C 21.380 0.400 1 702 68 68 THR N N 112.570 0.400 1 703 69 69 GLY H H 8.680 0.020 1 704 69 69 GLY HA2 H 3.790 0.020 2 705 69 69 GLY HA3 H 3.900 0.020 2 706 69 69 GLY C C 175.040 0.400 1 707 69 69 GLY CA C 46.320 0.400 1 708 69 69 GLY N N 110.010 0.400 1 709 70 70 LEU H H 8.300 0.020 1 710 70 70 LEU HA H 4.100 0.020 1 711 70 70 LEU HB2 H 1.820 0.020 2 712 70 70 LEU HB3 H 0.840 0.020 2 713 70 70 LEU HD1 H 0.570 0.020 2 714 70 70 LEU HD2 H 0.580 0.020 2 715 70 70 LEU HG H 1.390 0.020 1 716 70 70 LEU C C 175.970 0.400 1 717 70 70 LEU CA C 54.910 0.400 1 718 70 70 LEU CB C 41.690 0.400 1 719 70 70 LEU CD1 C 22.840 0.400 1 720 70 70 LEU CD2 C 22.840 0.400 1 721 70 70 LEU CG C 26.270 0.400 1 722 70 70 LEU N N 120.520 0.400 1 723 71 71 LYS H H 8.160 0.020 1 724 71 71 LYS HA H 5.040 0.020 1 725 71 71 LYS HB2 H 1.550 0.020 2 726 71 71 LYS HB3 H 1.360 0.020 2 727 71 71 LYS HD2 H 1.510 0.020 2 728 71 71 LYS HE2 H 2.860 0.020 2 729 71 71 LYS HG2 H 1.240 0.020 2 730 71 71 LYS HG3 H 1.000 0.020 2 731 71 71 LYS C C 175.700 0.400 1 732 71 71 LYS CA C 54.870 0.400 1 733 71 71 LYS CB C 35.320 0.400 1 734 71 71 LYS CD C 29.360 0.400 1 735 71 71 LYS CE C 41.990 0.400 1 736 71 71 LYS CG C 25.150 0.400 1 737 71 71 LYS N N 122.960 0.400 1 738 72 72 VAL H H 8.410 0.020 1 739 72 72 VAL HA H 3.910 0.020 1 740 72 72 VAL HB H 1.630 0.020 1 741 72 72 VAL HG1 H 0.590 0.020 2 742 72 72 VAL HG2 H 0.530 0.020 2 743 72 72 VAL C C 176.140 0.400 1 744 72 72 VAL CA C 61.330 0.400 1 745 72 72 VAL CB C 34.170 0.400 1 746 72 72 VAL CG1 C 22.190 0.400 1 747 72 72 VAL CG2 C 20.990 0.400 1 748 72 72 VAL N N 120.380 0.400 1 749 73 73 PHE H H 9.540 0.020 1 750 73 73 PHE HA H 4.470 0.020 1 751 73 73 PHE HB2 H 2.980 0.020 2 752 73 73 PHE HB3 H 3.410 0.020 2 753 73 73 PHE HD1 H 7.210 0.020 1 754 73 73 PHE HD2 H 7.210 0.020 1 755 73 73 PHE HE1 H 6.760 0.020 1 756 73 73 PHE HE2 H 6.760 0.020 1 757 73 73 PHE C C 175.690 0.400 1 758 73 73 PHE CA C 58.510 0.400 1 759 73 73 PHE CB C 37.220 0.400 1 760 73 73 PHE CD1 C 131.950 0.400 1 761 73 73 PHE CE1 C 131.330 0.400 1 762 73 73 PHE N N 128.890 0.400 1 763 74 74 GLY H H 8.670 0.020 1 764 74 74 GLY HA2 H 3.510 0.020 2 765 74 74 GLY HA3 H 4.320 0.020 2 766 74 74 GLY C C 173.270 0.400 1 767 74 74 GLY CA C 45.480 0.400 1 768 74 74 GLY N N 103.120 0.400 1 769 75 75 ASN H H 7.490 0.020 1 770 75 75 ASN HA H 4.890 0.020 1 771 75 75 ASN HB2 H 2.680 0.020 2 772 75 75 ASN HB3 H 2.940 0.020 2 773 75 75 ASN HD21 H 6.560 0.020 2 774 75 75 ASN HD22 H 6.880 0.020 2 775 75 75 ASN C C 174.890 0.400 1 776 75 75 ASN CA C 51.330 0.400 1 777 75 75 ASN CB C 39.190 0.400 1 778 75 75 ASN CG C 176.640 0.400 1 779 75 75 ASN N N 120.300 0.400 1 780 75 75 ASN ND2 N 108.360 0.400 1 781 76 76 GLU H H 9.060 0.020 1 782 76 76 GLU HA H 4.590 0.020 1 783 76 76 GLU HB2 H 1.860 0.020 2 784 76 76 GLU HB3 H 2.000 0.020 2 785 76 76 GLU HG2 H 2.150 0.020 2 786 76 76 GLU C C 176.450 0.400 1 787 76 76 GLU CA C 55.930 0.400 1 788 76 76 GLU CB C 29.340 0.400 1 789 76 76 GLU CG C 36.210 0.400 1 790 76 76 GLU N N 124.230 0.400 1 791 77 77 ILE H H 8.200 0.020 1 792 77 77 ILE HA H 4.510 0.020 1 793 77 77 ILE HB H 1.860 0.020 1 794 77 77 ILE HD1 H 0.620 0.020 1 795 77 77 ILE HG12 H 1.350 0.020 2 796 77 77 ILE HG13 H 1.060 0.020 2 797 77 77 ILE HG2 H 0.790 0.020 1 798 77 77 ILE C C 174.680 0.400 1 799 77 77 ILE CA C 61.550 0.400 1 800 77 77 ILE CB C 38.220 0.400 1 801 77 77 ILE CD1 C 13.360 0.400 1 802 77 77 ILE CG1 C 25.560 0.400 1 803 77 77 ILE CG2 C 18.579 0.400 1 804 77 77 ILE N N 124.640 0.400 1 805 78 78 LYS H H 7.800 0.020 1 806 78 78 LYS HA H 4.740 0.020 1 807 78 78 LYS HB2 H 1.770 0.020 2 808 78 78 LYS HB3 H 1.660 0.020 2 809 78 78 LYS HG2 H 1.410 0.020 2 810 78 78 LYS HG3 H 1.460 0.020 2 811 78 78 LYS C C 175.200 0.400 1 812 78 78 LYS CA C 54.430 0.400 1 813 78 78 LYS CB C 34.380 0.400 1 814 78 78 LYS CD C 26.170 0.400 1 815 78 78 LYS CG C 25.060 0.400 1 816 78 78 LYS N N 123.470 0.400 1 817 79 79 LEU H H 8.920 0.020 1 818 79 79 LEU HA H 5.490 0.020 1 819 79 79 LEU HB2 H 1.980 0.020 2 820 79 79 LEU HB3 H 1.480 0.020 2 821 79 79 LEU HD1 H 1.090 0.020 2 822 79 79 LEU HD2 H 1.040 0.020 2 823 79 79 LEU HG H 1.820 0.020 1 824 79 79 LEU C C 177.080 0.400 1 825 79 79 LEU CA C 53.960 0.400 1 826 79 79 LEU CB C 43.780 0.400 1 827 79 79 LEU CD1 C 26.300 0.400 1 828 79 79 LEU CD2 C 25.210 0.400 1 829 79 79 LEU CG C 27.810 0.400 1 830 79 79 LEU N N 126.640 0.400 1 831 80 80 GLU H H 9.060 0.020 1 832 80 80 GLU HA H 4.730 0.020 1 833 80 80 GLU HB2 H 1.930 0.020 2 834 80 80 GLU HB3 H 2.130 0.020 2 835 80 80 GLU HG2 H 2.190 0.020 2 836 80 80 GLU HG3 H 2.290 0.020 2 837 80 80 GLU C C 174.890 0.400 1 838 80 80 GLU CA C 54.970 0.400 1 839 80 80 GLU CB C 34.080 0.400 1 840 80 80 GLU CG C 35.960 0.400 1 841 80 80 GLU N N 119.530 0.400 1 842 81 81 LYS H H 9.050 0.020 1 843 81 81 LYS HA H 4.770 0.020 1 844 81 81 LYS HB2 H 1.780 0.020 2 845 81 81 LYS HB3 H 1.990 0.020 2 846 81 81 LYS C C 174.860 0.400 1 847 81 81 LYS CA C 55.080 0.400 1 848 81 81 LYS CB C 32.400 0.400 1 849 81 81 LYS N N 124.770 0.400 1 850 82 82 PRO HA H 4.500 0.020 1 851 82 82 PRO HB2 H 2.490 0.020 2 852 82 82 PRO HB3 H 2.040 0.020 2 853 82 82 PRO HD2 H 3.910 0.020 2 854 82 82 PRO HD3 H 4.350 0.020 2 855 82 82 PRO HG2 H 2.280 0.020 2 856 82 82 PRO HG3 H 2.110 0.020 2 857 82 82 PRO C C 176.610 0.400 1 858 82 82 PRO CA C 63.190 0.400 1 859 82 82 PRO CB C 32.530 0.400 1 860 82 82 PRO CD C 51.530 0.400 1 861 82 82 PRO CG C 28.100 0.400 1 862 82 82 PRO N N 138.060 0.400 1 863 83 83 LYS H H 8.560 0.020 1 864 83 83 LYS HA H 4.310 0.020 1 865 83 83 LYS HB2 H 1.750 0.020 2 866 83 83 LYS HB3 H 1.820 0.020 2 867 83 83 LYS HG2 H 1.400 0.020 2 868 83 83 LYS HG3 H 1.370 0.020 2 869 83 83 LYS C C 177.300 0.400 1 870 83 83 LYS CA C 56.480 0.400 1 871 83 83 LYS CB C 33.070 0.400 1 872 83 83 LYS CD C 29.040 0.400 1 873 83 83 LYS CG C 24.670 0.400 1 874 83 83 LYS N N 122.480 0.400 1 875 84 84 GLY H H 8.510 0.020 1 876 84 84 GLY HA2 H 3.960 0.020 2 877 84 84 GLY HA3 H 4.000 0.020 2 878 84 84 GLY C C 174.270 0.400 1 879 84 84 GLY CA C 45.460 0.400 1 880 84 84 GLY N N 110.290 0.400 1 881 85 85 LYS H H 8.370 0.020 1 882 85 85 LYS HA H 4.300 0.020 1 883 85 85 LYS C C 176.540 0.400 1 884 85 85 LYS CA C 56.590 0.400 1 885 85 85 LYS CB C 32.980 0.400 1 886 85 85 LYS CD C 29.020 0.400 1 887 85 85 LYS CG C 24.500 0.400 1 888 85 85 LYS N N 121.220 0.400 1 889 86 86 ASP H H 8.460 0.020 1 890 86 86 ASP HA H 4.650 0.020 1 891 86 86 ASP HB2 H 2.620 0.020 2 892 86 86 ASP HB3 H 2.760 0.020 2 893 86 86 ASP C C 176.370 0.400 1 894 86 86 ASP CA C 54.290 0.400 1 895 86 86 ASP CB C 41.240 0.400 1 896 86 86 ASP N N 121.460 0.400 1 897 87 87 SER H H 8.370 0.020 1 898 87 87 SER HA H 4.380 0.020 1 899 87 87 SER HB2 H 3.880 0.020 2 900 87 87 SER HB3 H 3.990 0.020 2 901 87 87 SER C C 175.200 0.400 1 902 87 87 SER CA C 58.930 0.400 1 903 87 87 SER CB C 63.880 0.400 1 904 87 87 SER N N 117.440 0.400 1 905 88 88 LYS H H 8.450 0.020 1 906 88 88 LYS HA H 4.060 0.020 1 907 88 88 LYS HB2 H 1.840 0.020 2 908 88 88 LYS C C 177.410 0.400 1 909 88 88 LYS CA C 58.780 0.400 1 910 88 88 LYS CB C 32.420 0.400 1 911 88 88 LYS CD C 28.890 0.400 1 912 88 88 LYS CG C 24.750 0.400 1 913 88 88 LYS N N 123.930 0.400 1 914 89 89 LYS H H 8.150 0.020 1 915 89 89 LYS HA H 4.120 0.020 1 916 89 89 LYS HB2 H 1.820 0.020 2 917 89 89 LYS HB3 H 1.800 0.020 2 918 89 89 LYS HG2 H 1.440 0.020 2 919 89 89 LYS HG3 H 1.380 0.020 2 920 89 89 LYS C C 178.910 0.400 1 921 89 89 LYS CA C 58.630 0.400 1 922 89 89 LYS CB C 32.470 0.400 1 923 89 89 LYS CD C 28.970 0.400 1 924 89 89 LYS CG C 24.840 0.400 1 925 89 89 LYS N N 119.370 0.400 1 926 90 90 GLU H H 8.010 0.020 1 927 90 90 GLU HA H 4.070 0.020 1 928 90 90 GLU HB2 H 2.100 0.020 2 929 90 90 GLU C C 178.110 0.400 1 930 90 90 GLU CA C 58.980 0.400 1 931 90 90 GLU CB C 29.160 0.400 1 932 90 90 GLU CG C 36.210 0.400 1 933 90 90 GLU N N 120.090 0.400 1 934 91 91 ARG H H 8.060 0.020 1 935 91 91 ARG HA H 3.920 0.020 1 936 91 91 ARG HB2 H 1.790 0.020 2 937 91 91 ARG HB3 H 1.850 0.020 2 938 91 91 ARG C C 179.670 0.400 1 939 91 91 ARG CA C 58.750 0.400 1 940 91 91 ARG CB C 30.340 0.400 1 941 91 91 ARG N N 120.070 0.400 1 942 92 92 ASP H H 8.790 0.020 1 943 92 92 ASP HA H 4.340 0.020 1 944 92 92 ASP HB2 H 2.650 0.020 2 945 92 92 ASP HB3 H 2.760 0.020 2 946 92 92 ASP C C 178.070 0.400 1 947 92 92 ASP CA C 57.350 0.400 1 948 92 92 ASP CB C 39.870 0.400 1 949 92 92 ASP N N 122.960 0.400 1 950 93 93 ALA H H 7.690 0.020 1 951 93 93 ALA HA H 4.290 0.020 1 952 93 93 ALA HB H 1.480 0.020 1 953 93 93 ALA C C 177.080 0.400 1 954 93 93 ALA CA C 53.880 0.400 1 955 93 93 ALA CB C 18.440 0.400 1 956 93 93 ALA N N 120.230 0.400 1 957 94 94 ARG H H 7.540 0.020 1 958 94 94 ARG HA H 4.680 0.020 1 959 94 94 ARG HB2 H 1.990 0.020 2 960 94 94 ARG HB3 H 1.690 0.020 2 961 94 94 ARG C C 174.100 0.400 1 962 94 94 ARG CA C 54.600 0.400 1 963 94 94 ARG CB C 30.550 0.400 1 964 94 94 ARG CG C 27.250 0.400 1 965 94 94 ARG N N 112.760 0.400 1 966 95 95 THR H H 7.790 0.020 1 967 95 95 THR HA H 5.540 0.020 1 968 95 95 THR HB H 4.180 0.020 1 969 95 95 THR HG2 H 1.250 0.020 1 970 95 95 THR C C 173.650 0.400 1 971 95 95 THR CA C 62.280 0.400 1 972 95 95 THR CB C 70.350 0.400 1 973 95 95 THR CG2 C 21.320 0.400 1 974 95 95 THR N N 117.450 0.400 1 975 96 96 LEU H H 9.410 0.020 1 976 96 96 LEU HA H 5.260 0.020 1 977 96 96 LEU HB2 H 1.720 0.020 2 978 96 96 LEU HB3 H 1.400 0.020 2 979 96 96 LEU HD1 H 0.630 0.020 2 980 96 96 LEU HD2 H 0.640 0.020 2 981 96 96 LEU HG H 0.950 0.020 1 982 96 96 LEU C C 174.900 0.400 1 983 96 96 LEU CA C 52.570 0.400 1 984 96 96 LEU CB C 45.270 0.400 1 985 96 96 LEU CD1 C 23.200 0.400 1 986 96 96 LEU CG C 27.080 0.400 1 987 96 96 LEU N N 124.740 0.400 1 988 97 97 LEU H H 9.210 0.020 1 989 97 97 LEU HA H 4.830 0.020 1 990 97 97 LEU HB2 H 1.290 0.020 2 991 97 97 LEU HB3 H 1.630 0.020 2 992 97 97 LEU HD1 H 0.390 0.020 2 993 97 97 LEU HD2 H 0.620 0.020 2 994 97 97 LEU HG H 1.210 0.020 1 995 97 97 LEU C C 174.700 0.400 1 996 97 97 LEU CA C 53.610 0.400 1 997 97 97 LEU CB C 44.940 0.400 1 998 97 97 LEU CD1 C 23.470 0.400 1 999 97 97 LEU CD2 C 26.100 0.400 1 1000 97 97 LEU CG C 27.660 0.400 1 1001 97 97 LEU N N 123.630 0.400 1 1002 98 98 ALA H H 9.340 0.020 1 1003 98 98 ALA HA H 5.510 0.020 1 1004 98 98 ALA HB H 1.140 0.020 1 1005 98 98 ALA C C 175.600 0.400 1 1006 98 98 ALA CA C 49.910 0.400 1 1007 98 98 ALA CB C 21.080 0.400 1 1008 98 98 ALA N N 128.480 0.400 1 1009 99 99 LYS H H 9.030 0.020 1 1010 99 99 LYS HA H 5.130 0.020 1 1011 99 99 LYS HB2 H 1.850 0.020 2 1012 99 99 LYS HB3 H 2.050 0.020 2 1013 99 99 LYS HE2 H 2.510 0.020 2 1014 99 99 LYS HE3 H 2.730 0.020 2 1015 99 99 LYS HG2 H 1.340 0.020 2 1016 99 99 LYS HG3 H 1.430 0.020 2 1017 99 99 LYS C C 175.420 0.400 1 1018 99 99 LYS CA C 54.590 0.400 1 1019 99 99 LYS CB C 36.380 0.400 1 1020 99 99 LYS CE C 41.910 0.400 1 1021 99 99 LYS CG C 25.720 0.400 1 1022 99 99 LYS N N 118.490 0.400 1 1023 100 100 ASN H H 8.670 0.020 1 1024 100 100 ASN HA H 4.430 0.020 1 1025 100 100 ASN HB2 H 2.760 0.020 2 1026 100 100 ASN HB3 H 3.640 0.020 2 1027 100 100 ASN HD21 H 8.030 0.020 2 1028 100 100 ASN HD22 H 6.930 0.020 2 1029 100 100 ASN C C 174.870 0.400 1 1030 100 100 ASN CA C 54.070 0.400 1 1031 100 100 ASN CB C 38.610 0.400 1 1032 100 100 ASN CG C 179.460 0.400 1 1033 100 100 ASN N N 115.070 0.400 1 1034 100 100 ASN ND2 N 112.670 0.400 1 1035 101 101 LEU H H 7.810 0.020 1 1036 101 101 LEU HA H 4.250 0.020 1 1037 101 101 LEU HB2 H 1.290 0.020 2 1038 101 101 LEU HB3 H 1.160 0.020 2 1039 101 101 LEU HD1 H 0.650 0.020 2 1040 101 101 LEU HD2 H 0.800 0.020 2 1041 101 101 LEU HG H 1.500 0.020 1 1042 101 101 LEU C C 175.350 0.400 1 1043 101 101 LEU CA C 52.930 0.400 1 1044 101 101 LEU CB C 40.720 0.400 1 1045 101 101 LEU CD1 C 26.950 0.400 1 1046 101 101 LEU CD2 C 24.440 0.400 1 1047 101 101 LEU CG C 27.050 0.400 1 1048 101 101 LEU N N 114.610 0.400 1 1049 102 102 PRO HA H 4.380 0.020 1 1050 102 102 PRO HB2 H 2.430 0.020 2 1051 102 102 PRO HB3 H 1.950 0.020 2 1052 102 102 PRO HD2 H 3.290 0.020 2 1053 102 102 PRO HD3 H 3.800 0.020 2 1054 102 102 PRO HG2 H 2.080 0.020 2 1055 102 102 PRO C C 177.920 0.400 1 1056 102 102 PRO CA C 62.520 0.400 1 1057 102 102 PRO CB C 31.670 0.400 1 1058 102 102 PRO CD C 49.760 0.400 1 1059 102 102 PRO CG C 28.110 0.400 1 1060 102 102 PRO N N 132.800 0.400 1 1061 103 103 TYR H H 8.450 0.020 1 1062 103 103 TYR HA H 4.310 0.020 1 1063 103 103 TYR HB2 H 3.070 0.020 2 1064 103 103 TYR HB3 H 3.140 0.020 2 1065 103 103 TYR HD1 H 7.160 0.020 1 1066 103 103 TYR HD2 H 7.160 0.020 1 1067 103 103 TYR HE1 H 6.850 0.020 1 1068 103 103 TYR HE2 H 6.850 0.020 1 1069 103 103 TYR C C 177.120 0.400 1 1070 103 103 TYR CA C 59.910 0.400 1 1071 103 103 TYR CB C 37.740 0.400 1 1072 103 103 TYR CD1 C 132.720 0.400 1 1073 103 103 TYR CE1 C 118.340 0.400 1 1074 103 103 TYR N N 123.340 0.400 1 1075 104 104 LYS H H 8.120 0.020 1 1076 104 104 LYS HA H 4.310 0.020 1 1077 104 104 LYS HB2 H 1.730 0.020 2 1078 104 104 LYS HB3 H 1.920 0.020 2 1079 104 104 LYS HD2 H 1.660 0.020 2 1080 104 104 LYS HD3 H 1.630 0.020 2 1081 104 104 LYS HE2 H 3.050 0.020 2 1082 104 104 LYS HG2 H 1.280 0.020 2 1083 104 104 LYS C C 176.270 0.400 1 1084 104 104 LYS CA C 55.930 0.400 1 1085 104 104 LYS CB C 31.210 0.400 1 1086 104 104 LYS CD C 29.240 0.400 1 1087 104 104 LYS CE C 42.100 0.400 1 1088 104 104 LYS CG C 24.640 0.400 1 1089 104 104 LYS N N 115.900 0.400 1 1090 105 105 VAL H H 7.200 0.020 1 1091 105 105 VAL HA H 4.290 0.020 1 1092 105 105 VAL HB H 2.090 0.020 1 1093 105 105 VAL HG1 H 1.100 0.020 2 1094 105 105 VAL HG2 H 0.890 0.020 2 1095 105 105 VAL C C 174.080 0.400 1 1096 105 105 VAL CA C 62.190 0.400 1 1097 105 105 VAL CB C 31.920 0.400 1 1098 105 105 VAL CG1 C 22.930 0.400 1 1099 105 105 VAL CG2 C 21.170 0.400 1 1100 105 105 VAL N N 120.980 0.400 1 1101 106 106 THR H H 7.820 0.020 1 1102 106 106 THR HA H 4.770 0.020 1 1103 106 106 THR HB H 4.730 0.020 1 1104 106 106 THR HG2 H 1.310 0.020 1 1105 106 106 THR C C 175.610 0.400 1 1106 106 106 THR CA C 58.960 0.400 1 1107 106 106 THR CB C 72.280 0.400 1 1108 106 106 THR CG2 C 21.730 0.400 1 1109 106 106 THR N N 115.170 0.400 1 1110 107 107 GLN H H 9.230 0.020 1 1111 107 107 GLN HA H 3.800 0.020 1 1112 107 107 GLN HB2 H 2.170 0.020 2 1113 107 107 GLN HE21 H 7.070 0.020 2 1114 107 107 GLN HE22 H 6.630 0.020 2 1115 107 107 GLN HG2 H 2.350 0.020 2 1116 107 107 GLN HG3 H 2.370 0.020 2 1117 107 107 GLN C C 177.880 0.400 1 1118 107 107 GLN CA C 60.070 0.400 1 1119 107 107 GLN CB C 28.530 0.400 1 1120 107 107 GLN CG C 34.250 0.400 1 1121 107 107 GLN N N 120.720 0.400 1 1122 107 107 GLN NE2 N 112.200 0.400 1 1123 108 108 ASP H H 8.370 0.020 1 1124 108 108 ASP HA H 4.340 0.020 1 1125 108 108 ASP HB2 H 2.650 0.020 2 1126 108 108 ASP HB3 H 2.560 0.020 2 1127 108 108 ASP C C 178.830 0.400 1 1128 108 108 ASP CA C 57.350 0.400 1 1129 108 108 ASP CB C 40.110 0.400 1 1130 108 108 ASP N N 117.170 0.400 1 1131 109 109 GLU H H 7.780 0.020 1 1132 109 109 GLU HA H 4.050 0.020 1 1133 109 109 GLU HB2 H 1.900 0.020 2 1134 109 109 GLU HB3 H 2.300 0.020 2 1135 109 109 GLU HG2 H 2.340 0.020 2 1136 109 109 GLU HG3 H 2.430 0.020 2 1137 109 109 GLU C C 179.770 0.400 1 1138 109 109 GLU CA C 59.040 0.400 1 1139 109 109 GLU CB C 29.730 0.400 1 1140 109 109 GLU CG C 35.860 0.400 1 1141 109 109 GLU N N 119.780 0.400 1 1142 110 110 LEU H H 7.640 0.020 1 1143 110 110 LEU HA H 4.080 0.020 1 1144 110 110 LEU HB2 H 1.420 0.020 2 1145 110 110 LEU HB3 H 2.110 0.020 2 1146 110 110 LEU HD1 H 0.730 0.020 2 1147 110 110 LEU HG H 1.830 0.020 1 1148 110 110 LEU C C 178.490 0.400 1 1149 110 110 LEU CA C 57.680 0.400 1 1150 110 110 LEU CB C 42.590 0.400 1 1151 110 110 LEU CD1 C 26.580 0.400 1 1152 110 110 LEU CG C 27.110 0.400 1 1153 110 110 LEU N N 117.780 0.400 1 1154 111 111 LYS H H 8.340 0.020 1 1155 111 111 LYS HA H 3.850 0.020 1 1156 111 111 LYS HB2 H 1.870 0.020 2 1157 111 111 LYS HB3 H 1.970 0.020 2 1158 111 111 LYS HE2 H 2.980 0.020 2 1159 111 111 LYS HG2 H 1.500 0.020 2 1160 111 111 LYS HG3 H 1.580 0.020 2 1161 111 111 LYS C C 177.000 0.400 1 1162 111 111 LYS CA C 58.490 0.400 1 1163 111 111 LYS CB C 32.200 0.400 1 1164 111 111 LYS CD C 29.020 0.400 1 1165 111 111 LYS CG C 25.360 0.400 1 1166 111 111 LYS N N 121.250 0.400 1 1167 112 112 GLU H H 7.180 0.020 1 1168 112 112 GLU HA H 4.070 0.020 1 1169 112 112 GLU HB2 H 2.100 0.020 2 1170 112 112 GLU HB3 H 2.130 0.020 2 1171 112 112 GLU HG2 H 2.350 0.020 2 1172 112 112 GLU HG3 H 2.510 0.020 2 1173 112 112 GLU C C 177.720 0.400 1 1174 112 112 GLU CA C 58.170 0.400 1 1175 112 112 GLU CB C 29.170 0.400 1 1176 112 112 GLU CG C 35.260 0.400 1 1177 112 112 GLU N N 114.420 0.400 1 1178 113 113 VAL H H 6.930 0.020 1 1179 113 113 VAL HA H 3.720 0.020 1 1180 113 113 VAL HB H 1.570 0.020 1 1181 113 113 VAL HG1 H 0.820 0.020 2 1182 113 113 VAL HG2 H 0.080 0.020 2 1183 113 113 VAL C C 175.820 0.400 1 1184 113 113 VAL CA C 64.380 0.400 1 1185 113 113 VAL CB C 32.940 0.400 1 1186 113 113 VAL CG1 C 21.610 0.400 1 1187 113 113 VAL CG2 C 20.690 0.400 1 1188 113 113 VAL N N 116.710 0.400 1 1189 114 114 PHE H H 8.180 0.020 1 1190 114 114 PHE HA H 5.100 0.020 1 1191 114 114 PHE HB2 H 2.870 0.020 2 1192 114 114 PHE HB3 H 2.980 0.020 2 1193 114 114 PHE HD1 H 7.480 0.020 1 1194 114 114 PHE HD2 H 7.480 0.020 1 1195 114 114 PHE HE1 H 6.940 0.020 1 1196 114 114 PHE HE2 H 6.940 0.020 1 1197 114 114 PHE HZ H 6.990 0.020 1 1198 114 114 PHE C C 176.380 0.400 1 1199 114 114 PHE CA C 55.210 0.400 1 1200 114 114 PHE CB C 37.650 0.400 1 1201 114 114 PHE CD1 C 132.670 0.400 1 1202 114 114 PHE CE1 C 129.940 0.400 1 1203 114 114 PHE CZ C 128.580 0.400 1 1204 114 114 PHE N N 120.880 0.400 1 1205 115 115 GLU H H 7.880 0.020 1 1206 115 115 GLU HA H 4.370 0.020 1 1207 115 115 GLU HB2 H 2.070 0.020 2 1208 115 115 GLU HG2 H 2.390 0.020 2 1209 115 115 GLU C C 176.930 0.400 1 1210 115 115 GLU CA C 59.130 0.400 1 1211 115 115 GLU CB C 29.000 0.400 1 1212 115 115 GLU CG C 34.490 0.400 1 1213 115 115 GLU N N 120.050 0.400 1 1214 116 116 ASP H H 9.190 0.020 1 1215 116 116 ASP HA H 4.720 0.020 1 1216 116 116 ASP HB2 H 2.840 0.020 2 1217 116 116 ASP HB3 H 2.940 0.020 2 1218 116 116 ASP C C 176.420 0.400 1 1219 116 116 ASP CA C 53.090 0.400 1 1220 116 116 ASP CB C 39.410 0.400 1 1221 116 116 ASP N N 115.770 0.400 1 1222 117 117 ALA H H 7.610 0.020 1 1223 117 117 ALA HA H 3.520 0.020 1 1224 117 117 ALA HB H 0.890 0.020 1 1225 117 117 ALA C C 177.020 0.400 1 1226 117 117 ALA CA C 53.330 0.400 1 1227 117 117 ALA CB C 18.420 0.400 1 1228 117 117 ALA N N 122.920 0.400 1 1229 118 118 ALA H H 9.170 0.020 1 1230 118 118 ALA HA H 4.290 0.020 1 1231 118 118 ALA HB H 1.210 0.020 1 1232 118 118 ALA C C 178.290 0.400 1 1233 118 118 ALA CA C 53.420 0.400 1 1234 118 118 ALA CB C 19.620 0.400 1 1235 118 118 ALA N N 124.720 0.400 1 1236 119 119 GLU H H 7.680 0.020 1 1237 119 119 GLU HA H 4.410 0.020 1 1238 119 119 GLU HB2 H 1.820 0.020 2 1239 119 119 GLU HB3 H 1.870 0.020 2 1240 119 119 GLU HG2 H 2.040 0.020 2 1241 119 119 GLU HG3 H 2.170 0.020 2 1242 119 119 GLU C C 173.330 0.400 1 1243 119 119 GLU CA C 55.780 0.400 1 1244 119 119 GLU CB C 33.260 0.400 1 1245 119 119 GLU CG C 36.130 0.400 1 1246 119 119 GLU N N 114.610 0.400 1 1247 120 120 ILE H H 8.680 0.020 1 1248 120 120 ILE HA H 4.650 0.020 1 1249 120 120 ILE HB H 1.700 0.020 1 1250 120 120 ILE HD1 H 0.860 0.020 1 1251 120 120 ILE HG12 H 1.460 0.020 2 1252 120 120 ILE HG13 H 0.880 0.020 2 1253 120 120 ILE HG2 H 0.730 0.020 1 1254 120 120 ILE C C 174.710 0.400 1 1255 120 120 ILE CA C 60.480 0.400 1 1256 120 120 ILE CB C 40.430 0.400 1 1257 120 120 ILE CD1 C 13.100 0.400 1 1258 120 120 ILE CG1 C 28.320 0.400 1 1259 120 120 ILE CG2 C 17.890 0.400 1 1260 120 120 ILE N N 124.880 0.400 1 1261 121 121 ARG H H 9.210 0.020 1 1262 121 121 ARG HA H 4.830 0.020 1 1263 121 121 ARG HB2 H 1.820 0.020 2 1264 121 121 ARG HB3 H 1.930 0.020 2 1265 121 121 ARG HD2 H 3.310 0.020 2 1266 121 121 ARG HD3 H 3.110 0.020 2 1267 121 121 ARG HG2 H 1.500 0.020 2 1268 121 121 ARG C C 175.070 0.400 1 1269 121 121 ARG CA C 54.710 0.400 1 1270 121 121 ARG CB C 32.230 0.400 1 1271 121 121 ARG CD C 43.580 0.400 1 1272 121 121 ARG CG C 27.670 0.400 1 1273 121 121 ARG N N 127.350 0.400 1 1274 122 122 LEU H H 8.940 0.020 1 1275 122 122 LEU HA H 4.520 0.020 1 1276 122 122 LEU HB2 H 1.440 0.020 2 1277 122 122 LEU HB3 H 1.740 0.020 2 1278 122 122 LEU HD1 H 0.840 0.020 2 1279 122 122 LEU HD2 H 0.790 0.020 2 1280 122 122 LEU HG H 1.500 0.020 1 1281 122 122 LEU C C 176.980 0.400 1 1282 122 122 LEU CA C 55.120 0.400 1 1283 122 122 LEU CB C 43.010 0.400 1 1284 122 122 LEU CD1 C 24.910 0.400 1 1285 122 122 LEU CD2 C 25.510 0.400 1 1286 122 122 LEU CG C 27.780 0.400 1 1287 122 122 LEU N N 126.780 0.400 1 1288 123 123 VAL H H 8.320 0.020 1 1289 123 123 VAL HA H 4.240 0.020 1 1290 123 123 VAL HB H 2.020 0.020 1 1291 123 123 VAL HG1 H 1.030 0.020 2 1292 123 123 VAL HG2 H 0.980 0.020 2 1293 123 123 VAL C C 175.130 0.400 1 1294 123 123 VAL CA C 62.960 0.400 1 1295 123 123 VAL CB C 32.470 0.400 1 1296 123 123 VAL CG1 C 21.500 0.400 1 1297 123 123 VAL CG2 C 21.290 0.400 1 1298 123 123 VAL N N 125.780 0.400 1 1299 124 124 SER H H 8.560 0.020 1 1300 124 124 SER HA H 4.940 0.020 1 1301 124 124 SER HB2 H 3.710 0.020 2 1302 124 124 SER HB3 H 3.590 0.020 2 1303 124 124 SER C C 173.490 0.400 1 1304 124 124 SER CA C 57.190 0.400 1 1305 124 124 SER CB C 65.460 0.400 1 1306 124 124 SER N N 121.810 0.400 1 1307 125 125 LYS H H 8.670 0.020 1 1308 125 125 LYS HA H 4.510 0.020 1 1309 125 125 LYS HB2 H 1.720 0.020 2 1310 125 125 LYS HB3 H 1.790 0.020 2 1311 125 125 LYS HE2 H 2.950 0.020 2 1312 125 125 LYS HG2 H 1.430 0.020 2 1313 125 125 LYS HG3 H 1.390 0.020 2 1314 125 125 LYS C C 176.200 0.400 1 1315 125 125 LYS CA C 56.240 0.400 1 1316 125 125 LYS CB C 34.650 0.400 1 1317 125 125 LYS CG C 24.820 0.400 1 1318 125 125 LYS N N 123.010 0.400 1 1319 126 126 ASP H H 9.190 0.020 1 1320 126 126 ASP HA H 4.440 0.020 1 1321 126 126 ASP HB2 H 2.760 0.020 2 1322 126 126 ASP HB3 H 2.890 0.020 2 1323 126 126 ASP C C 176.000 0.400 1 1324 126 126 ASP CA C 55.080 0.400 1 1325 126 126 ASP CB C 40.110 0.400 1 1326 126 126 ASP N N 124.930 0.400 1 1327 127 127 GLY H H 8.590 0.020 1 1328 127 127 GLY HA2 H 3.710 0.020 2 1329 127 127 GLY HA3 H 4.150 0.020 2 1330 127 127 GLY C C 174.240 0.400 1 1331 127 127 GLY CA C 45.530 0.400 1 1332 127 127 GLY N N 105.340 0.400 1 1333 128 128 LYS H H 7.950 0.020 1 1334 128 128 LYS HA H 4.580 0.020 1 1335 128 128 LYS HB2 H 1.810 0.020 2 1336 128 128 LYS HB3 H 1.870 0.020 2 1337 128 128 LYS HD2 H 1.700 0.020 2 1338 128 128 LYS HD3 H 1.670 0.020 2 1339 128 128 LYS HE2 H 3.140 0.020 2 1340 128 128 LYS HG2 H 1.400 0.020 2 1341 128 128 LYS HG3 H 1.430 0.020 2 1342 128 128 LYS C C 176.060 0.400 1 1343 128 128 LYS CA C 55.360 0.400 1 1344 128 128 LYS CB C 33.870 0.400 1 1345 128 128 LYS CD C 29.020 0.400 1 1346 128 128 LYS CG C 24.560 0.400 1 1347 128 128 LYS N N 120.290 0.400 1 1348 129 129 SER H H 8.620 0.020 1 1349 129 129 SER HA H 4.510 0.020 1 1350 129 129 SER HB2 H 3.960 0.020 2 1351 129 129 SER HB3 H 4.040 0.020 2 1352 129 129 SER C C 175.270 0.400 1 1353 129 129 SER CA C 58.480 0.400 1 1354 129 129 SER CB C 64.290 0.400 1 1355 129 129 SER N N 117.940 0.400 1 1356 130 130 LYS H H 8.600 0.020 1 1357 130 130 LYS HA H 4.490 0.020 1 1358 130 130 LYS HB2 H 1.630 0.020 2 1359 130 130 LYS HB3 H 2.000 0.020 2 1360 130 130 LYS HD2 H 1.670 0.020 2 1361 130 130 LYS HG2 H 1.450 0.020 2 1362 130 130 LYS C C 177.260 0.400 1 1363 130 130 LYS CA C 55.490 0.400 1 1364 130 130 LYS CB C 32.730 0.400 1 1365 130 130 LYS CD C 28.510 0.400 1 1366 130 130 LYS CG C 24.730 0.400 1 1367 130 130 LYS N N 122.290 0.400 1 1368 131 131 GLY H H 8.930 0.020 1 1369 131 131 GLY HA2 H 3.790 0.020 2 1370 131 131 GLY HA3 H 4.020 0.020 2 1371 131 131 GLY C C 172.740 0.400 1 1372 131 131 GLY CA C 46.500 0.400 1 1373 131 131 GLY N N 109.600 0.400 1 1374 132 132 ILE H H 7.170 0.020 1 1375 132 132 ILE HA H 5.300 0.020 1 1376 132 132 ILE HB H 1.600 0.020 1 1377 132 132 ILE HD1 H 0.820 0.020 1 1378 132 132 ILE HG12 H 1.390 0.020 2 1379 132 132 ILE HG13 H 1.380 0.020 2 1380 132 132 ILE HG2 H 0.820 0.020 1 1381 132 132 ILE C C 174.370 0.400 1 1382 132 132 ILE CA C 58.750 0.400 1 1383 132 132 ILE CB C 42.500 0.400 1 1384 132 132 ILE CD1 C 13.870 0.400 1 1385 132 132 ILE CG1 C 26.670 0.400 1 1386 132 132 ILE CG2 C 18.280 0.400 1 1387 132 132 ILE N N 113.460 0.400 1 1388 133 133 ALA H H 8.760 0.020 1 1389 133 133 ALA HA H 5.210 0.020 1 1390 133 133 ALA HB H 1.040 0.020 1 1391 133 133 ALA C C 174.680 0.400 1 1392 133 133 ALA CA C 50.530 0.400 1 1393 133 133 ALA CB C 23.450 0.400 1 1394 133 133 ALA N N 122.990 0.400 1 1395 134 134 TYR H H 8.870 0.020 1 1396 134 134 TYR HA H 5.080 0.020 1 1397 134 134 TYR HB2 H 2.710 0.020 2 1398 134 134 TYR HB3 H 2.770 0.020 2 1399 134 134 TYR HD1 H 6.940 0.020 1 1400 134 134 TYR HD2 H 6.940 0.020 1 1401 134 134 TYR HE1 H 6.750 0.020 1 1402 134 134 TYR HE2 H 6.750 0.020 1 1403 134 134 TYR C C 175.050 0.400 1 1404 134 134 TYR CA C 57.540 0.400 1 1405 134 134 TYR CB C 40.040 0.400 1 1406 134 134 TYR CD1 C 132.870 0.400 1 1407 134 134 TYR CE1 C 118.300 0.400 1 1408 134 134 TYR N N 119.490 0.400 1 1409 135 135 ILE H H 9.510 0.020 1 1410 135 135 ILE HA H 4.330 0.020 1 1411 135 135 ILE HB H 1.650 0.020 1 1412 135 135 ILE HD1 H 0.030 0.020 1 1413 135 135 ILE HG12 H 0.910 0.020 2 1414 135 135 ILE HG13 H 0.640 0.020 2 1415 135 135 ILE HG2 H 0.100 0.020 1 1416 135 135 ILE C C 173.180 0.400 1 1417 135 135 ILE CA C 60.040 0.400 1 1418 135 135 ILE CB C 38.580 0.400 1 1419 135 135 ILE CD1 C 13.730 0.400 1 1420 135 135 ILE CG1 C 26.490 0.400 1 1421 135 135 ILE CG2 C 20.410 0.400 1 1422 135 135 ILE N N 124.280 0.400 1 1423 136 136 GLU H H 8.940 0.020 1 1424 136 136 GLU HA H 4.910 0.020 1 1425 136 136 GLU HB2 H 1.940 0.020 2 1426 136 136 GLU HG2 H 2.250 0.020 2 1427 136 136 GLU C C 175.730 0.400 1 1428 136 136 GLU CA C 55.330 0.400 1 1429 136 136 GLU CB C 32.280 0.400 1 1430 136 136 GLU CG C 35.810 0.400 1 1431 136 136 GLU N N 127.990 0.400 1 1432 137 137 PHE H H 9.280 0.020 1 1433 137 137 PHE HA H 4.520 0.020 1 1434 137 137 PHE HB2 H 3.190 0.020 2 1435 137 137 PHE HB3 H 3.630 0.020 2 1436 137 137 PHE HD1 H 7.490 0.020 1 1437 137 137 PHE HD2 H 7.490 0.020 1 1438 137 137 PHE C C 175.100 0.400 1 1439 137 137 PHE CA C 58.970 0.400 1 1440 137 137 PHE CB C 41.370 0.400 1 1441 137 137 PHE CD1 C 131.650 0.400 1 1442 137 137 PHE N N 125.560 0.400 1 1443 138 138 LYS H H 10.510 0.020 1 1444 138 138 LYS HA H 4.140 0.020 1 1445 138 138 LYS HB2 H 2.070 0.020 2 1446 138 138 LYS HB3 H 2.090 0.020 2 1447 138 138 LYS HD2 H 1.780 0.020 2 1448 138 138 LYS HD3 H 1.830 0.020 2 1449 138 138 LYS HE2 H 3.000 0.020 2 1450 138 138 LYS HG2 H 1.600 0.020 2 1451 138 138 LYS HG3 H 1.680 0.020 2 1452 138 138 LYS C C 177.480 0.400 1 1453 138 138 LYS CA C 59.460 0.400 1 1454 138 138 LYS CB C 33.400 0.400 1 1455 138 138 LYS CD C 29.210 0.400 1 1456 138 138 LYS CG C 26.650 0.400 1 1457 138 138 LYS N N 119.590 0.400 1 1458 139 139 THR H H 7.290 0.020 1 1459 139 139 THR HA H 4.760 0.020 1 1460 139 139 THR HB H 4.630 0.020 1 1461 139 139 THR HG2 H 1.250 0.020 1 1462 139 139 THR C C 174.400 0.400 1 1463 139 139 THR CA C 58.540 0.400 1 1464 139 139 THR CB C 73.350 0.400 1 1465 139 139 THR CG2 C 21.880 0.400 1 1466 139 139 THR N N 102.010 0.400 1 1467 140 140 GLU H H 9.340 0.020 1 1468 140 140 GLU HA H 4.020 0.020 1 1469 140 140 GLU HB2 H 2.090 0.020 2 1470 140 140 GLU HG2 H 2.330 0.020 2 1471 140 140 GLU HG3 H 2.500 0.020 2 1472 140 140 GLU C C 178.100 0.400 1 1473 140 140 GLU CA C 59.750 0.400 1 1474 140 140 GLU CB C 29.110 0.400 1 1475 140 140 GLU CG C 35.620 0.400 1 1476 140 140 GLU N N 123.600 0.400 1 1477 141 141 ALA H H 8.470 0.020 1 1478 141 141 ALA HA H 4.140 0.020 1 1479 141 141 ALA HB H 1.430 0.020 1 1480 141 141 ALA C C 180.600 0.400 1 1481 141 141 ALA CA C 55.190 0.400 1 1482 141 141 ALA CB C 18.070 0.400 1 1483 141 141 ALA N N 121.410 0.400 1 1484 142 142 ASP H H 7.940 0.020 1 1485 142 142 ASP HA H 4.340 0.020 1 1486 142 142 ASP HB2 H 2.810 0.020 2 1487 142 142 ASP HB3 H 2.900 0.020 2 1488 142 142 ASP C C 178.680 0.400 1 1489 142 142 ASP CA C 57.160 0.400 1 1490 142 142 ASP CB C 40.530 0.400 1 1491 142 142 ASP N N 118.940 0.400 1 1492 143 143 ALA H H 7.350 0.020 1 1493 143 143 ALA HA H 2.800 0.020 1 1494 143 143 ALA HB H 1.440 0.020 1 1495 143 143 ALA C C 178.300 0.400 1 1496 143 143 ALA CA C 55.090 0.400 1 1497 143 143 ALA CB C 17.290 0.400 1 1498 143 143 ALA N N 124.630 0.400 1 1499 144 144 GLU H H 8.380 0.020 1 1500 144 144 GLU HA H 4.190 0.020 1 1501 144 144 GLU HB2 H 2.040 0.020 2 1502 144 144 GLU HB3 H 2.060 0.020 2 1503 144 144 GLU HG2 H 2.480 0.020 2 1504 144 144 GLU HG3 H 2.520 0.020 2 1505 144 144 GLU C C 178.290 0.400 1 1506 144 144 GLU CA C 58.750 0.400 1 1507 144 144 GLU CB C 28.520 0.400 1 1508 144 144 GLU CG C 34.390 0.400 1 1509 144 144 GLU N N 117.870 0.400 1 1510 145 145 LYS H H 8.050 0.020 1 1511 145 145 LYS HA H 4.040 0.020 1 1512 145 145 LYS HB2 H 1.860 0.020 2 1513 145 145 LYS HB3 H 1.980 0.020 2 1514 145 145 LYS HG2 H 1.300 0.020 2 1515 145 145 LYS HG3 H 1.460 0.020 2 1516 145 145 LYS C C 178.790 0.400 1 1517 145 145 LYS CA C 59.310 0.400 1 1518 145 145 LYS CB C 32.350 0.400 1 1519 145 145 LYS CD C 29.790 0.400 1 1520 145 145 LYS CG C 24.290 0.400 1 1521 145 145 LYS N N 119.430 0.400 1 1522 146 146 THR H H 7.410 0.020 1 1523 146 146 THR HA H 3.830 0.020 1 1524 146 146 THR HB H 3.730 0.020 1 1525 146 146 THR HG2 H 1.340 0.020 1 1526 146 146 THR C C 175.220 0.400 1 1527 146 146 THR CA C 68.250 0.400 1 1528 146 146 THR CB C 67.730 0.400 1 1529 146 146 THR CG2 C 23.050 0.400 1 1530 146 146 THR N N 115.520 0.400 1 1531 147 147 PHE H H 8.450 0.020 1 1532 147 147 PHE HA H 3.680 0.020 1 1533 147 147 PHE HB2 H 3.260 0.020 2 1534 147 147 PHE HB3 H 2.780 0.020 2 1535 147 147 PHE C C 176.670 0.400 1 1536 147 147 PHE CA C 61.900 0.400 1 1537 147 147 PHE CB C 39.230 0.400 1 1538 147 147 PHE N N 122.580 0.400 1 1539 148 148 GLU H H 8.020 0.020 1 1540 148 148 GLU HA H 4.010 0.020 1 1541 148 148 GLU HB2 H 2.220 0.020 2 1542 148 148 GLU HB3 H 2.150 0.020 2 1543 148 148 GLU HG2 H 2.530 0.020 2 1544 148 148 GLU HG3 H 2.780 0.020 2 1545 148 148 GLU C C 179.180 0.400 1 1546 148 148 GLU CA C 58.300 0.400 1 1547 148 148 GLU CB C 29.900 0.400 1 1548 148 148 GLU CG C 35.700 0.400 1 1549 148 148 GLU N N 113.980 0.400 1 1550 149 149 GLU H H 8.270 0.020 1 1551 149 149 GLU HA H 4.370 0.020 1 1552 149 149 GLU HB2 H 2.080 0.020 2 1553 149 149 GLU HB3 H 2.100 0.020 2 1554 149 149 GLU HG2 H 2.620 0.020 2 1555 149 149 GLU HG3 H 2.320 0.020 2 1556 149 149 GLU C C 178.840 0.400 1 1557 149 149 GLU CA C 58.250 0.400 1 1558 149 149 GLU CB C 31.270 0.400 1 1559 149 149 GLU N N 115.460 0.400 1 1560 150 150 LYS H H 8.650 0.020 1 1561 150 150 LYS HA H 4.600 0.020 1 1562 150 150 LYS HB2 H 1.940 0.020 2 1563 150 150 LYS HB3 H 1.980 0.020 2 1564 150 150 LYS C C 176.780 0.400 1 1565 150 150 LYS CA C 59.360 0.400 1 1566 150 150 LYS CB C 32.090 0.400 1 1567 150 150 LYS CD C 29.770 0.400 1 1568 150 150 LYS CG C 26.220 0.400 1 1569 150 150 LYS N N 114.840 0.400 1 1570 151 151 GLN H H 7.090 0.020 1 1571 151 151 GLN HA H 3.930 0.020 1 1572 151 151 GLN HB2 H 1.900 0.020 2 1573 151 151 GLN HB3 H 2.000 0.020 2 1574 151 151 GLN HE21 H 7.070 0.020 2 1575 151 151 GLN HE22 H 6.630 0.020 2 1576 151 151 GLN HG2 H 2.400 0.020 2 1577 151 151 GLN HG3 H 2.420 0.020 2 1578 151 151 GLN C C 177.680 0.400 1 1579 151 151 GLN CA C 57.160 0.400 1 1580 151 151 GLN CB C 28.520 0.400 1 1581 151 151 GLN CG C 32.400 0.400 1 1582 151 151 GLN N N 120.770 0.400 1 1583 151 151 GLN NE2 N 112.200 0.400 1 1584 152 152 GLY H H 8.220 0.020 1 1585 152 152 GLY HA2 H 3.980 0.020 2 1586 152 152 GLY HA3 H 4.020 0.020 2 1587 152 152 GLY C C 174.780 0.400 1 1588 152 152 GLY CA C 46.560 0.400 1 1589 152 152 GLY N N 115.110 0.400 1 1590 153 153 THR H H 7.520 0.020 1 1591 153 153 THR HA H 3.960 0.020 1 1592 153 153 THR HB H 3.990 0.020 1 1593 153 153 THR HG2 H 1.070 0.020 1 1594 153 153 THR C C 172.490 0.400 1 1595 153 153 THR CA C 64.560 0.400 1 1596 153 153 THR CB C 69.580 0.400 1 1597 153 153 THR CG2 C 20.830 0.400 1 1598 153 153 THR N N 117.190 0.400 1 1599 154 154 GLU H H 8.410 0.020 1 1600 154 154 GLU HA H 5.000 0.020 1 1601 154 154 GLU HB2 H 1.730 0.020 2 1602 154 154 GLU HB3 H 1.900 0.020 2 1603 154 154 GLU HG2 H 2.240 0.020 2 1604 154 154 GLU HG3 H 1.940 0.020 2 1605 154 154 GLU C C 176.730 0.400 1 1606 154 154 GLU CA C 55.460 0.400 1 1607 154 154 GLU CB C 30.840 0.400 1 1608 154 154 GLU CG C 35.520 0.400 1 1609 154 154 GLU N N 125.530 0.400 1 1610 155 155 ILE H H 8.810 0.020 1 1611 155 155 ILE HA H 4.190 0.020 1 1612 155 155 ILE HB H 1.560 0.020 1 1613 155 155 ILE HD1 H 0.680 0.020 1 1614 155 155 ILE HG12 H 1.520 0.020 2 1615 155 155 ILE HG13 H 0.970 0.020 2 1616 155 155 ILE HG2 H 0.780 0.020 1 1617 155 155 ILE C C 174.870 0.400 1 1618 155 155 ILE CA C 60.750 0.400 1 1619 155 155 ILE CB C 40.410 0.400 1 1620 155 155 ILE CD1 C 14.210 0.400 1 1621 155 155 ILE CG1 C 27.180 0.400 1 1622 155 155 ILE CG2 C 16.790 0.400 1 1623 155 155 ILE N N 123.760 0.400 1 1624 156 156 ASP H H 9.360 0.020 1 1625 156 156 ASP HA H 4.260 0.020 1 1626 156 156 ASP HB2 H 2.630 0.020 2 1627 156 156 ASP HB3 H 2.960 0.020 2 1628 156 156 ASP C C 175.740 0.400 1 1629 156 156 ASP CA C 54.600 0.400 1 1630 156 156 ASP CB C 38.760 0.400 1 1631 156 156 ASP N N 126.180 0.400 1 1632 157 157 GLY H H 8.630 0.020 1 1633 157 157 GLY HA2 H 4.100 0.020 2 1634 157 157 GLY HA3 H 3.650 0.020 2 1635 157 157 GLY C C 173.960 0.400 1 1636 157 157 GLY CA C 45.780 0.400 1 1637 157 157 GLY N N 102.430 0.400 1 1638 158 158 ARG H H 7.910 0.020 1 1639 158 158 ARG HA H 4.610 0.020 1 1640 158 158 ARG HB2 H 1.990 0.020 2 1641 158 158 ARG HB3 H 1.820 0.020 2 1642 158 158 ARG HD2 H 3.000 0.020 2 1643 158 158 ARG HD3 H 3.110 0.020 2 1644 158 158 ARG HG2 H 1.490 0.020 2 1645 158 158 ARG HG3 H 1.580 0.020 2 1646 158 158 ARG C C 174.850 0.400 1 1647 158 158 ARG CA C 54.260 0.400 1 1648 158 158 ARG CB C 32.320 0.400 1 1649 158 158 ARG CD C 42.930 0.400 1 1650 158 158 ARG CG C 27.430 0.400 1 1651 158 158 ARG N N 120.830 0.400 1 1652 159 159 SER H H 8.560 0.020 1 1653 159 159 SER HA H 4.350 0.020 1 1654 159 159 SER HB2 H 3.750 0.020 2 1655 159 159 SER HB3 H 3.770 0.020 2 1656 159 159 SER C C 174.920 0.400 1 1657 159 159 SER CA C 57.960 0.400 1 1658 159 159 SER CB C 63.220 0.400 1 1659 159 159 SER N N 118.220 0.400 1 1660 160 160 ILE H H 8.860 0.020 1 1661 160 160 ILE HA H 4.480 0.020 1 1662 160 160 ILE HB H 2.150 0.020 1 1663 160 160 ILE HD1 H 0.820 0.020 1 1664 160 160 ILE HG12 H 1.620 0.020 2 1665 160 160 ILE HG13 H 1.490 0.020 2 1666 160 160 ILE HG2 H 1.010 0.020 1 1667 160 160 ILE C C 175.530 0.400 1 1668 160 160 ILE CA C 61.240 0.400 1 1669 160 160 ILE CB C 38.500 0.400 1 1670 160 160 ILE CD1 C 14.280 0.400 1 1671 160 160 ILE CG1 C 26.820 0.400 1 1672 160 160 ILE CG2 C 18.160 0.400 1 1673 160 160 ILE N N 128.260 0.400 1 1674 161 161 SER H H 7.960 0.020 1 1675 161 161 SER HA H 4.900 0.020 1 1676 161 161 SER HB2 H 3.770 0.020 2 1677 161 161 SER HB3 H 3.700 0.020 2 1678 161 161 SER C C 172.540 0.400 1 1679 161 161 SER CA C 57.060 0.400 1 1680 161 161 SER CB C 65.630 0.400 1 1681 161 161 SER N N 118.960 0.400 1 1682 162 162 LEU H H 9.150 0.020 1 1683 162 162 LEU HA H 5.570 0.020 1 1684 162 162 LEU HB2 H 1.590 0.020 2 1685 162 162 LEU HB3 H 1.230 0.020 2 1686 162 162 LEU HD1 H 0.780 0.020 2 1687 162 162 LEU C C 176.510 0.400 1 1688 162 162 LEU CA C 53.130 0.400 1 1689 162 162 LEU CB C 45.610 0.400 1 1690 162 162 LEU CD1 C 24.030 0.400 1 1691 162 162 LEU CG C 27.190 0.400 1 1692 162 162 LEU N N 123.460 0.400 1 1693 163 163 TYR H H 9.360 0.020 1 1694 163 163 TYR HA H 4.910 0.020 1 1695 163 163 TYR HB2 H 3.280 0.020 2 1696 163 163 TYR HB3 H 2.770 0.020 2 1697 163 163 TYR HD1 H 7.190 0.020 1 1698 163 163 TYR HD2 H 7.190 0.020 1 1699 163 163 TYR HE1 H 6.730 0.020 1 1700 163 163 TYR HE2 H 6.730 0.020 1 1701 163 163 TYR C C 175.460 0.400 1 1702 163 163 TYR CA C 57.170 0.400 1 1703 163 163 TYR CB C 41.840 0.400 1 1704 163 163 TYR CD1 C 133.560 0.400 1 1705 163 163 TYR CE1 C 118.230 0.400 1 1706 163 163 TYR N N 119.700 0.400 1 1707 164 164 TYR H H 8.720 0.020 1 1708 164 164 TYR HA H 4.770 0.020 1 1709 164 164 TYR HB2 H 2.420 0.020 2 1710 164 164 TYR HB3 H 2.850 0.020 2 1711 164 164 TYR HD1 H 6.800 0.020 1 1712 164 164 TYR HD2 H 6.800 0.020 1 1713 164 164 TYR HE1 H 6.080 0.020 1 1714 164 164 TYR HE2 H 6.080 0.020 1 1715 164 164 TYR C C 176.870 0.400 1 1716 164 164 TYR CA C 58.490 0.400 1 1717 164 164 TYR CB C 38.930 0.400 1 1718 164 164 TYR CD1 C 132.320 0.400 1 1719 164 164 TYR CE1 C 117.210 0.400 1 1720 164 164 TYR N N 122.200 0.400 1 1721 165 165 THR H H 8.690 0.020 1 1722 165 165 THR HA H 4.420 0.020 1 1723 165 165 THR HB H 4.280 0.020 1 1724 165 165 THR HG2 H 1.260 0.020 1 1725 165 165 THR C C 174.820 0.400 1 1726 165 165 THR CA C 62.480 0.400 1 1727 165 165 THR CB C 69.890 0.400 1 1728 165 165 THR CG2 C 22.120 0.400 1 1729 165 165 THR N N 114.100 0.400 1 1730 166 166 GLY H H 7.940 0.020 1 1731 166 166 GLY HA2 H 3.800 0.020 2 1732 166 166 GLY HA3 H 4.000 0.020 2 1733 166 166 GLY C C 173.390 0.400 1 1734 166 166 GLY CA C 44.660 0.400 1 1735 166 166 GLY N N 109.450 0.400 1 1736 167 167 GLU H H 8.220 0.020 1 1737 167 167 GLU HA H 4.510 0.020 1 1738 167 167 GLU HB2 H 1.840 0.020 2 1739 167 167 GLU HB3 H 1.990 0.020 2 1740 167 167 GLU HG2 H 2.280 0.020 2 1741 167 167 GLU C C 174.580 0.400 1 1742 167 167 GLU CA C 54.260 0.400 1 1743 167 167 GLU CB C 29.620 0.400 1 1744 167 167 GLU CG C 35.440 0.400 1 1745 167 167 GLU N N 121.420 0.400 1 1746 168 168 PRO HA H 4.350 0.020 1 1747 168 168 PRO HB2 H 2.210 0.020 2 1748 168 168 PRO HB3 H 1.850 0.020 2 1749 168 168 PRO HD2 H 3.610 0.020 2 1750 168 168 PRO HD3 H 3.690 0.020 2 1751 168 168 PRO HG2 H 1.970 0.020 2 1752 168 168 PRO HG3 H 1.910 0.020 2 1753 168 168 PRO C C 176.900 0.400 1 1754 168 168 PRO CA C 63.230 0.400 1 1755 168 168 PRO CB C 32.160 0.400 1 1756 168 168 PRO CD C 50.660 0.400 1 1757 168 168 PRO CG C 27.510 0.400 1 1758 168 168 PRO N N 137.550 0.400 1 1759 169 169 LYS H H 8.410 0.020 1 1760 169 169 LYS HA H 4.300 0.020 1 1761 169 169 LYS HB2 H 1.740 0.020 2 1762 169 169 LYS HB3 H 1.830 0.020 2 1763 169 169 LYS HD2 H 1.620 0.020 2 1764 169 169 LYS HE2 H 2.930 0.020 2 1765 169 169 LYS HG2 H 1.380 0.020 2 1766 169 169 LYS HG3 H 1.410 0.020 2 1767 169 169 LYS C C 177.270 0.400 1 1768 169 169 LYS CA C 56.440 0.400 1 1769 169 169 LYS CB C 33.080 0.400 1 1770 169 169 LYS CD C 28.950 0.400 1 1771 169 169 LYS CE C 42.160 0.400 1 1772 169 169 LYS CG C 24.580 0.400 1 1773 169 169 LYS N N 121.400 0.400 1 1774 170 170 GLY H H 8.440 0.020 1 1775 170 170 GLY HA2 H 3.990 0.020 2 1776 170 170 GLY HA3 H 3.950 0.020 2 1777 170 170 GLY C C 174.250 0.400 1 1778 170 170 GLY CA C 45.630 0.400 1 1779 170 170 GLY N N 109.810 0.400 1 1780 171 171 GLU H H 8.410 0.020 1 1781 171 171 GLU HA H 4.320 0.020 1 1782 171 171 GLU HB2 H 1.960 0.020 2 1783 171 171 GLU HB3 H 2.090 0.020 2 1784 171 171 GLU HG2 H 2.300 0.020 2 1785 171 171 GLU HG3 H 2.230 0.020 2 1786 171 171 GLU C C 177.090 0.400 1 1787 171 171 GLU CA C 56.320 0.400 1 1788 171 171 GLU CB C 30.250 0.400 1 1789 171 171 GLU CG C 35.690 0.400 1 1790 171 171 GLU N N 120.690 0.400 1 1791 172 172 GLY H H 8.570 0.020 1 1792 172 172 GLY HA2 H 3.950 0.020 2 1793 172 172 GLY C C 174.520 0.400 1 1794 172 172 GLY CA C 45.850 0.400 1 1795 172 172 GLY N N 109.770 0.400 1 1796 173 173 LEU H H 8.110 0.020 1 1797 173 173 LEU HA H 4.250 0.020 1 1798 173 173 LEU HB2 H 1.520 0.020 2 1799 173 173 LEU HB3 H 1.600 0.020 2 1800 173 173 LEU HD1 H 0.880 0.020 2 1801 173 173 LEU HD2 H 0.820 0.020 2 1802 173 173 LEU HG H 1.560 0.020 1 1803 173 173 LEU C C 177.660 0.400 1 1804 173 173 LEU CA C 55.490 0.400 1 1805 173 173 LEU CB C 42.210 0.400 1 1806 173 173 LEU CD1 C 25.070 0.400 1 1807 173 173 LEU CD2 C 23.380 0.400 1 1808 173 173 LEU CG C 27.010 0.400 1 1809 173 173 LEU N N 121.180 0.400 1 1810 174 174 GLU H H 8.420 0.020 1 1811 174 174 GLU HA H 4.160 0.020 1 1812 174 174 GLU HB2 H 1.870 0.020 2 1813 174 174 GLU HB3 H 1.900 0.020 2 1814 174 174 GLU HG2 H 2.150 0.020 2 1815 174 174 GLU HG3 H 2.220 0.020 2 1816 174 174 GLU C C 176.380 0.400 1 1817 174 174 GLU CA C 56.800 0.400 1 1818 174 174 GLU CB C 29.670 0.400 1 1819 174 174 GLU CG C 35.600 0.400 1 1820 174 174 GLU N N 119.990 0.400 1 stop_ save_