data_19807 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of hypothetical protein ZP_02069618.1 from Bacteroides uniformis ATCC 8492. ; _BMRB_accession_number 19807 _BMRB_flat_file_name bmr19807.str _Entry_type original _Submission_date 2014-02-19 _Accession_date 2014-02-19 _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 Wallmann Arndt . . 2 Dutta Samit K. . 3 Serrano Pedro . . 4 Geralt Michael . . 5 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 887 "13C chemical shifts" 496 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-03-10 original author . stop_ _Original_release_date 2014-03-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of hypothetical protein ZP_02069618.1 from Bacteroides uniformis ATCC 8492.' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wallmann Arndt . . 2 Dutta Samit K. . 3 Serrano Pedro . . 4 Geralt Michael . . 5 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NMR structure of hypothetical protein ZP_02069618.1 from Bacteroides uniformis ATCC 8492.' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hypothetical protein ZP_02069618.1' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 17313.006 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; GAEEEDFKTFLQKFTSSASF QYSRIKFPLKSPIALLKDDG ETEQTFPFTREKWALLDEET LKEGRTTEEEGGTYISHFTV NEPAHKEFEAGYDESEPSLR VVFELTDGKWYVTDCYNDWY NFDLPINELEETIQAVQEEN KAFEELHP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 GLU 4 GLU 5 GLU 6 ASP 7 PHE 8 LYS 9 THR 10 PHE 11 LEU 12 GLN 13 LYS 14 PHE 15 THR 16 SER 17 SER 18 ALA 19 SER 20 PHE 21 GLN 22 TYR 23 SER 24 ARG 25 ILE 26 LYS 27 PHE 28 PRO 29 LEU 30 LYS 31 SER 32 PRO 33 ILE 34 ALA 35 LEU 36 LEU 37 LYS 38 ASP 39 ASP 40 GLY 41 GLU 42 THR 43 GLU 44 GLN 45 THR 46 PHE 47 PRO 48 PHE 49 THR 50 ARG 51 GLU 52 LYS 53 TRP 54 ALA 55 LEU 56 LEU 57 ASP 58 GLU 59 GLU 60 THR 61 LEU 62 LYS 63 GLU 64 GLY 65 ARG 66 THR 67 THR 68 GLU 69 GLU 70 GLU 71 GLY 72 GLY 73 THR 74 TYR 75 ILE 76 SER 77 HIS 78 PHE 79 THR 80 VAL 81 ASN 82 GLU 83 PRO 84 ALA 85 HIS 86 LYS 87 GLU 88 PHE 89 GLU 90 ALA 91 GLY 92 TYR 93 ASP 94 GLU 95 SER 96 GLU 97 PRO 98 SER 99 LEU 100 ARG 101 VAL 102 VAL 103 PHE 104 GLU 105 LEU 106 THR 107 ASP 108 GLY 109 LYS 110 TRP 111 TYR 112 VAL 113 THR 114 ASP 115 CYS 116 TYR 117 ASN 118 ASP 119 TRP 120 TYR 121 ASN 122 PHE 123 ASP 124 LEU 125 PRO 126 ILE 127 ASN 128 GLU 129 LEU 130 GLU 131 GLU 132 THR 133 ILE 134 GLN 135 ALA 136 VAL 137 GLN 138 GLU 139 GLU 140 ASN 141 LYS 142 ALA 143 PHE 144 GLU 145 GLU 146 LEU 147 HIS 148 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2ML6 "Nmr Structure Of Protein Zp_02069618.1 From Bacteroides Uniformis Atcc 8492" 100.00 148 100.00 100.00 6.63e-102 EMBL CDE01124 "uncharacterized protein BN594_02385 [Bacteroides uniformis CAG:3]" 100.00 170 99.32 99.32 1.73e-101 EMBL CUN97444 "Uncharacterised protein [Catenibacterium mitsuokai]" 100.00 170 99.32 99.32 1.73e-101 EMBL CUO14297 "Uncharacterised protein [Bacteroides uniformis]" 100.00 170 99.32 99.32 1.73e-101 EMBL CUO43665 "Uncharacterised protein [Bacteroides uniformis]" 100.00 170 99.32 99.32 1.73e-101 EMBL CUO53226 "Uncharacterised protein [Bacteroides uniformis]" 100.00 170 99.32 99.32 1.73e-101 GB EDO55360 "hypothetical protein BACUNI_01032 [Bacteroides uniformis ATCC 8492]" 100.00 170 99.32 99.32 1.73e-101 GB EFA20067 "hypothetical protein HMPREF0969_01480 [Bacteroides sp. D20]" 100.00 170 99.32 99.32 1.73e-101 GB EFV27640 "hypothetical protein HMPREF1007_00254 [Bacteroides sp. 4_1_36]" 100.00 170 99.32 99.32 1.73e-101 GB EIY75132 "hypothetical protein HMPREF1073_03338 [Bacteroides uniformis CL03T12C37]" 100.00 170 99.32 99.32 1.73e-101 GB EIY78188 "hypothetical protein HMPREF1072_01221 [Bacteroides uniformis CL03T00C23]" 100.00 170 99.32 99.32 1.73e-101 REF WP_005826053 "MULTISPECIES: hypothetical protein [Bacteria]" 100.00 170 99.32 99.32 1.73e-101 REF WP_044467933 "hypothetical protein [Bacteroides uniformis]" 100.00 170 97.97 99.32 1.68e-100 REF WP_057281877 "hypothetical protein [Bacteroides uniformis]" 100.00 170 99.32 99.32 1.18e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Bacteroides uniformis' 820 Bacteria . Bacteroides uniformis 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 $entity 'recombinant technology' . Escherichia coli BL-21 SpeedET 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 $entity 1.2 mM '[U-99% 13C; U-99% 15N]' 'sodium azide' 0.03 % 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Guntert P.' . . stop_ loop_ _Task collection 'data analysis' processing 'structure solution' stop_ _Details . save_ save_CYANA_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Guntert P.' . . stop_ loop_ _Task collection 'data analysis' processing 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_j-UNIO _Saveframe_category software _Name j-UNIO _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_GAPRO _Saveframe_category software _Name GAPRO _Version . loop_ _Vendor _Address _Electronic_address Hiller . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_OPALp _Saveframe_category software _Name OPALp _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_1 save_ save_4D_APSY-HACANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HACANH' _Sample_label $sample_1 save_ save_5D_APSY-CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-CBCACONH' _Sample_label $sample_1 save_ save_5D_APSY-HACACONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-HACACONH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 0.0798 . M pH 6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation 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 '4D APSY-HACANH' '5D APSY-CBCACONH' '5D APSY-HACACONH' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Hypothetical protein ZP_02069618.1' _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 3.779 0.007 2 2 1 1 GLY HA3 H 3.779 0.007 1 3 1 1 GLY CA C 40.854 0.100 1 4 2 2 ALA H H 8.525 0.007 1 5 2 2 ALA HA H 4.262 0.007 1 6 2 2 ALA HB H 1.302 0.007 1 7 2 2 ALA CA C 49.905 0.100 1 8 2 2 ALA CB C 16.707 0.100 1 9 2 2 ALA N N 123.674 0.141 1 10 3 3 GLU H H 8.501 0.007 1 11 3 3 GLU HA H 4.182 0.007 1 12 3 3 GLU HB2 H 1.866 0.007 2 13 3 3 GLU HB3 H 1.974 0.007 2 14 3 3 GLU HG2 H 2.183 0.007 1 15 3 3 GLU HG3 H 2.183 0.007 1 16 3 3 GLU CA C 53.993 0.100 1 17 3 3 GLU CB C 27.379 0.100 1 18 3 3 GLU CG C 33.839 0.100 1 19 3 3 GLU N N 120.007 0.141 1 20 4 4 GLU H H 8.298 0.007 1 21 4 4 GLU HA H 4.288 0.007 1 22 4 4 GLU HB2 H 1.804 0.007 2 23 4 4 GLU HB3 H 1.836 0.007 2 24 4 4 GLU HG2 H 2.038 0.007 2 25 4 4 GLU HG3 H 2.121 0.007 2 26 4 4 GLU CA C 53.126 0.100 1 27 4 4 GLU CB C 28.453 0.100 1 28 4 4 GLU CG C 33.948 0.100 1 29 4 4 GLU N N 121.709 0.141 1 30 5 5 GLU H H 7.905 0.007 1 31 5 5 GLU HA H 4.069 0.007 1 32 5 5 GLU HB2 H 2.139 0.007 1 33 5 5 GLU HB3 H 2.139 0.007 1 34 5 5 GLU HG2 H 2.405 0.007 1 35 5 5 GLU HG3 H 2.405 0.007 1 36 5 5 GLU CA C 54.491 0.100 1 37 5 5 GLU CB C 30.450 0.100 1 38 5 5 GLU CG C 35.093 0.100 1 39 5 5 GLU N N 124.201 0.141 1 40 6 6 ASP H H 8.754 0.007 1 41 6 6 ASP HA H 4.667 0.007 1 42 6 6 ASP HB2 H 2.671 0.007 2 43 6 6 ASP HB3 H 2.817 0.007 2 44 6 6 ASP CA C 51.768 0.100 1 45 6 6 ASP CB C 40.407 0.100 1 46 6 6 ASP N N 127.838 0.141 1 47 7 7 PHE H H 9.345 0.007 1 48 7 7 PHE HA H 3.372 0.007 1 49 7 7 PHE HB2 H 2.439 0.007 1 50 7 7 PHE HB3 H 2.439 0.007 1 51 7 7 PHE CA C 60.165 0.100 1 52 7 7 PHE CB C 36.506 0.100 1 53 7 7 PHE CD2 C 130.361 0.100 3 54 7 7 PHE N N 129.423 0.141 1 55 8 8 LYS H H 8.302 0.007 1 56 8 8 LYS HA H 3.485 0.007 1 57 8 8 LYS HB2 H 1.699 0.007 2 58 8 8 LYS HB3 H 1.813 0.007 2 59 8 8 LYS HG2 H 1.216 0.007 2 60 8 8 LYS HG3 H 1.420 0.007 2 61 8 8 LYS HD2 H 1.579 0.007 1 62 8 8 LYS HD3 H 1.579 0.007 1 63 8 8 LYS HE2 H 2.878 0.007 1 64 8 8 LYS HE3 H 2.878 0.007 1 65 8 8 LYS CA C 57.322 0.100 1 66 8 8 LYS CB C 28.874 0.100 1 67 8 8 LYS CG C 22.739 0.100 1 68 8 8 LYS CD C 26.420 0.100 1 69 8 8 LYS CE C 39.535 0.100 1 70 8 8 LYS N N 117.736 0.141 1 71 9 9 THR H H 7.744 0.007 1 72 9 9 THR HA H 3.747 0.007 1 73 9 9 THR HB H 4.191 0.007 1 74 9 9 THR HG2 H 1.154 0.007 1 75 9 9 THR CA C 63.682 0.100 1 76 9 9 THR CB C 65.715 0.100 1 77 9 9 THR CG2 C 18.893 0.100 1 78 9 9 THR N N 117.018 0.141 1 79 10 10 PHE H H 7.871 0.007 1 80 10 10 PHE HA H 4.082 0.007 1 81 10 10 PHE HB2 H 3.222 0.007 2 82 10 10 PHE HB3 H 2.793 0.007 2 83 10 10 PHE HD1 H 5.881 0.007 3 84 10 10 PHE HD2 H 5.881 0.007 3 85 10 10 PHE HE1 H 6.239 0.007 3 86 10 10 PHE HE2 H 6.239 0.007 3 87 10 10 PHE HZ H 6.479 0.007 1 88 10 10 PHE CA C 57.766 0.100 1 89 10 10 PHE CB C 34.910 0.100 1 90 10 10 PHE CD2 C 130.752 0.100 3 91 10 10 PHE CE2 C 127.472 0.100 3 92 10 10 PHE CZ C 125.866 0.100 1 93 10 10 PHE N N 123.333 0.141 1 94 11 11 LEU H H 8.240 0.007 1 95 11 11 LEU HA H 2.811 0.007 1 96 11 11 LEU HB2 H 1.213 0.007 2 97 11 11 LEU HB3 H 0.394 0.007 2 98 11 11 LEU HG H 1.161 0.007 1 99 11 11 LEU HD1 H 0.304 0.007 2 100 11 11 LEU HD2 H 0.543 0.007 2 101 11 11 LEU CA C 54.264 0.100 1 102 11 11 LEU CB C 38.576 0.100 1 103 11 11 LEU CG C 23.358 0.100 1 104 11 11 LEU CD1 C 21.679 0.100 2 105 11 11 LEU CD2 C 22.588 0.100 2 106 11 11 LEU N N 121.781 0.141 1 107 12 12 GLN H H 7.266 0.007 1 108 12 12 GLN HA H 3.703 0.007 1 109 12 12 GLN HB2 H 1.938 0.007 1 110 12 12 GLN HB3 H 1.938 0.007 1 111 12 12 GLN HG2 H 2.155 0.007 2 112 12 12 GLN HG3 H 2.331 0.007 2 113 12 12 GLN HE21 H 6.675 0.007 2 114 12 12 GLN HE22 H 7.468 0.007 2 115 12 12 GLN CA C 55.871 0.100 1 116 12 12 GLN CB C 25.433 0.100 1 117 12 12 GLN CG C 31.274 0.100 1 118 12 12 GLN N N 117.748 0.141 1 119 12 12 GLN NE2 N 112.032 0.141 1 120 13 13 LYS H H 7.196 0.007 1 121 13 13 LYS HA H 3.479 0.007 1 122 13 13 LYS HB2 H 1.151 0.007 2 123 13 13 LYS HB3 H 0.504 0.007 2 124 13 13 LYS HG2 H 0.738 0.007 2 125 13 13 LYS HG3 H 1.123 0.007 2 126 13 13 LYS HD2 H 1.000 0.007 2 127 13 13 LYS HD3 H 1.160 0.007 2 128 13 13 LYS HE2 H 2.448 0.007 1 129 13 13 LYS HE3 H 2.448 0.007 1 130 13 13 LYS CA C 56.725 0.100 1 131 13 13 LYS CB C 29.277 0.100 1 132 13 13 LYS CG C 22.647 0.100 1 133 13 13 LYS CD C 26.560 0.100 1 134 13 13 LYS CE C 39.389 0.100 1 135 13 13 LYS N N 120.826 0.141 1 136 14 14 PHE H H 8.794 0.007 1 137 14 14 PHE HA H 3.951 0.007 1 138 14 14 PHE HB2 H 2.147 0.007 2 139 14 14 PHE HB3 H 2.748 0.007 2 140 14 14 PHE HD1 H 6.839 0.007 3 141 14 14 PHE HD2 H 6.839 0.007 3 142 14 14 PHE HE1 H 7.183 0.007 3 143 14 14 PHE HE2 H 7.183 0.007 3 144 14 14 PHE HZ H 6.966 0.007 1 145 14 14 PHE CA C 59.834 0.100 1 146 14 14 PHE CB C 38.029 0.100 1 147 14 14 PHE CD2 C 130.183 0.100 3 148 14 14 PHE CE2 C 128.601 0.100 3 149 14 14 PHE CZ C 127.140 0.100 1 150 14 14 PHE N N 120.031 0.141 1 151 15 15 THR H H 7.784 0.007 1 152 15 15 THR HA H 4.125 0.007 1 153 15 15 THR HB H 4.142 0.007 1 154 15 15 THR HG2 H 1.126 0.007 1 155 15 15 THR CA C 59.674 0.100 1 156 15 15 THR CB C 67.186 0.100 1 157 15 15 THR CG2 C 21.053 0.100 1 158 15 15 THR N N 102.008 0.141 1 159 16 16 SER H H 7.237 0.007 1 160 16 16 SER HA H 4.149 0.007 1 161 16 16 SER HB2 H 3.771 0.007 1 162 16 16 SER HB3 H 3.863 0.007 2 163 16 16 SER CA C 55.591 0.100 1 164 16 16 SER CB C 62.059 0.100 1 165 16 16 SER N N 111.888 0.141 1 166 17 17 SER H H 7.006 0.007 1 167 17 17 SER HA H 4.593 0.007 1 168 17 17 SER HB2 H 3.801 0.007 2 169 17 17 SER HB3 H 3.652 0.007 2 170 17 17 SER CA C 53.397 0.100 1 171 17 17 SER CB C 61.210 0.100 1 172 17 17 SER N N 115.534 0.141 1 173 18 18 ALA H H 9.712 0.007 1 174 18 18 ALA HA H 3.910 0.007 1 175 18 18 ALA HB H 1.722 0.007 1 176 18 18 ALA CA C 52.774 0.100 1 177 18 18 ALA CB C 17.629 0.100 1 178 18 18 ALA N N 133.743 0.141 1 179 19 19 SER H H 8.743 0.007 1 180 19 19 SER HA H 4.226 0.007 1 181 19 19 SER HB2 H 3.924 0.007 1 182 19 19 SER HB3 H 3.924 0.007 1 183 19 19 SER CA C 58.790 0.100 1 184 19 19 SER CB C 59.603 0.100 1 185 19 19 SER N N 111.663 0.141 1 186 20 20 PHE H H 7.915 0.007 1 187 20 20 PHE HA H 4.178 0.007 1 188 20 20 PHE HB2 H 3.119 0.007 1 189 20 20 PHE HB3 H 3.119 0.007 1 190 20 20 PHE HD1 H 7.025 0.007 3 191 20 20 PHE HD2 H 7.025 0.007 3 192 20 20 PHE HE1 H 7.272 0.007 3 193 20 20 PHE HE2 H 7.272 0.007 3 194 20 20 PHE CA C 58.727 0.100 1 195 20 20 PHE CB C 36.641 0.100 1 196 20 20 PHE CD2 C 129.118 0.100 3 197 20 20 PHE CE2 C 129.014 0.100 3 198 20 20 PHE N N 124.209 0.141 1 199 21 21 GLN H H 8.844 0.007 1 200 21 21 GLN HA H 3.329 0.007 1 201 21 21 GLN HB2 H 1.752 0.007 2 202 21 21 GLN HB3 H 2.380 0.007 2 203 21 21 GLN HG2 H 0.731 0.007 2 204 21 21 GLN HG3 H 1.077 0.007 2 205 21 21 GLN HE21 H 7.725 0.007 2 206 21 21 GLN HE22 H 7.253 0.007 2 207 21 21 GLN CA C 57.559 0.100 1 208 21 21 GLN CB C 24.851 0.100 1 209 21 21 GLN CG C 32.444 0.100 1 210 21 21 GLN N N 122.127 0.141 1 211 21 21 GLN NE2 N 110.586 0.141 1 212 22 22 TYR H H 8.557 0.007 1 213 22 22 TYR HA H 4.001 0.007 1 214 22 22 TYR HB2 H 2.981 0.007 2 215 22 22 TYR HB3 H 2.783 0.007 2 216 22 22 TYR HD1 H 6.994 0.007 3 217 22 22 TYR HD2 H 6.994 0.007 3 218 22 22 TYR HE1 H 6.817 0.007 3 219 22 22 TYR HE2 H 6.817 0.007 3 220 22 22 TYR CA C 59.862 0.100 1 221 22 22 TYR CB C 36.171 0.100 1 222 22 22 TYR CD1 C 130.535 0.100 3 223 22 22 TYR CE1 C 115.256 0.100 3 224 22 22 TYR N N 113.029 0.141 1 225 23 23 SER H H 7.458 0.007 1 226 23 23 SER HA H 4.448 0.007 1 227 23 23 SER HB2 H 4.015 0.007 1 228 23 23 SER HB3 H 4.015 0.007 1 229 23 23 SER CA C 57.971 0.100 1 230 23 23 SER CB C 60.566 0.100 1 231 23 23 SER N N 113.015 0.141 1 232 24 24 ARG H H 7.356 0.007 1 233 24 24 ARG HA H 4.618 0.007 1 234 24 24 ARG HB2 H 2.749 0.007 1 235 24 24 ARG HB3 H 2.749 0.007 1 236 24 24 ARG HG2 H 1.219 0.007 2 237 24 24 ARG HG3 H 0.898 0.007 1 238 24 24 ARG HD2 H 2.411 0.007 2 239 24 24 ARG HD3 H 2.668 0.007 2 240 24 24 ARG HE H 6.787 0.007 1 241 24 24 ARG CA C 50.270 0.100 1 242 24 24 ARG CB C 27.106 0.100 1 243 24 24 ARG CG C 23.439 0.100 1 244 24 24 ARG CD C 39.263 0.100 1 245 24 24 ARG N N 121.083 0.141 1 246 24 24 ARG NE N 82.949 0.141 1 247 25 25 ILE H H 6.930 0.007 1 248 25 25 ILE HA H 4.285 0.007 1 249 25 25 ILE HB H 0.788 0.007 1 250 25 25 ILE HG12 H 1.514 0.007 2 251 25 25 ILE HG13 H 0.039 0.007 2 252 25 25 ILE HG2 H -0.970 0.007 1 253 25 25 ILE HD1 H -0.651 0.007 1 254 25 25 ILE CA C 57.702 0.100 1 255 25 25 ILE CB C 37.212 0.100 1 256 25 25 ILE CG1 C 23.556 0.100 1 257 25 25 ILE CG2 C 15.998 0.100 1 258 25 25 ILE CD1 C 11.888 0.100 1 259 25 25 ILE N N 118.505 0.141 1 260 26 26 LYS H H 8.009 0.007 1 261 26 26 LYS HA H 4.215 0.007 1 262 26 26 LYS HB2 H 1.506 0.007 1 263 26 26 LYS HB3 H 1.506 0.007 1 264 26 26 LYS HG2 H 0.989 0.007 2 265 26 26 LYS HG3 H 0.914 0.007 2 266 26 26 LYS HD2 H 1.236 0.007 2 267 26 26 LYS HD3 H 1.127 0.007 2 268 26 26 LYS HE2 H 1.774 0.007 2 269 26 26 LYS HE3 H 1.986 0.007 2 270 26 26 LYS CA C 51.924 0.100 1 271 26 26 LYS CB C 28.959 0.100 1 272 26 26 LYS CG C 22.122 0.100 1 273 26 26 LYS CD C 26.553 0.100 1 274 26 26 LYS CE C 38.723 0.100 1 275 26 26 LYS N N 128.193 0.141 1 276 27 27 PHE H H 7.559 0.007 1 277 27 27 PHE HA H 4.418 0.007 1 278 27 27 PHE HB2 H 2.751 0.007 2 279 27 27 PHE HB3 H 2.990 0.007 2 280 27 27 PHE HD1 H 7.336 0.007 1 281 27 27 PHE HD2 H 7.336 0.007 1 282 27 27 PHE CA C 54.199 0.100 1 283 27 27 PHE CB C 37.893 0.100 1 284 27 27 PHE CD2 C 129.619 0.100 3 285 27 27 PHE N N 120.181 0.141 1 286 28 28 PRO HA H 4.837 0.007 1 287 28 28 PRO HB2 H 2.161 0.007 2 288 28 28 PRO HB3 H 2.210 0.007 2 289 28 28 PRO HG2 H 1.987 0.007 2 290 28 28 PRO HG3 H 1.876 0.007 2 291 28 28 PRO HD2 H 3.497 0.007 2 292 28 28 PRO HD3 H 3.626 0.007 2 293 28 28 PRO CA C 59.214 0.100 1 294 28 28 PRO CB C 31.351 0.100 1 295 28 28 PRO CG C 22.429 0.100 1 296 28 28 PRO CD C 47.855 0.100 1 297 29 29 LEU H H 8.149 0.007 1 298 29 29 LEU HA H 4.161 0.007 1 299 29 29 LEU HB2 H 1.974 0.007 2 300 29 29 LEU HB3 H 1.846 0.007 2 301 29 29 LEU HG H 1.472 0.007 1 302 29 29 LEU HD1 H 0.150 0.007 2 303 29 29 LEU HD2 H 0.119 0.007 2 304 29 29 LEU CA C 52.321 0.100 1 305 29 29 LEU CB C 38.895 0.100 1 306 29 29 LEU CG C 24.565 0.100 1 307 29 29 LEU CD1 C 23.573 0.100 2 308 29 29 LEU CD2 C 20.287 0.100 2 309 29 29 LEU N N 119.900 0.141 1 310 30 30 LYS H H 7.401 0.007 1 311 30 30 LYS HA H 3.898 0.007 1 312 30 30 LYS HB2 H 1.651 0.007 2 313 30 30 LYS HB3 H 1.707 0.007 2 314 30 30 LYS HG2 H 1.400 0.007 2 315 30 30 LYS HG3 H 1.578 0.007 2 316 30 30 LYS HD2 H 1.590 0.007 1 317 30 30 LYS HD3 H 1.590 0.007 1 318 30 30 LYS HE2 H 2.888 0.007 1 319 30 30 LYS HE3 H 2.888 0.007 1 320 30 30 LYS CA C 57.617 0.100 1 321 30 30 LYS CB C 30.548 0.100 1 322 30 30 LYS CG C 22.787 0.100 1 323 30 30 LYS CD C 26.900 0.100 1 324 30 30 LYS CE C 39.499 0.100 1 325 30 30 LYS N N 118.355 0.141 1 326 31 31 SER H H 8.810 0.007 1 327 31 31 SER HA H 4.955 0.007 1 328 31 31 SER HB2 H 3.839 0.007 2 329 31 31 SER HB3 H 4.455 0.007 2 330 31 31 SER CA C 53.576 0.100 1 331 31 31 SER CB C 58.994 0.100 1 332 31 31 SER N N 115.800 0.141 1 333 32 32 PRO HA H 4.838 0.007 1 334 32 32 PRO HB2 H 2.208 0.007 2 335 32 32 PRO HB3 H 1.796 0.007 2 336 32 32 PRO HG2 H 1.956 0.007 2 337 32 32 PRO HG3 H 2.114 0.007 2 338 32 32 PRO HD2 H 3.759 0.007 2 339 32 32 PRO HD3 H 3.838 0.007 2 340 32 32 PRO CA C 59.702 0.100 1 341 32 32 PRO CB C 30.240 0.100 1 342 32 32 PRO CG C 25.505 0.100 1 343 32 32 PRO CD C 47.835 0.100 1 344 33 33 ILE H H 8.479 0.007 1 345 33 33 ILE HA H 4.159 0.007 1 346 33 33 ILE HB H 1.687 0.007 1 347 33 33 ILE HG12 H 1.293 0.007 2 348 33 33 ILE HG13 H 0.807 0.007 1 349 33 33 ILE HG2 H 0.732 0.007 1 350 33 33 ILE HD1 H -0.317 0.007 1 351 33 33 ILE CA C 59.546 0.100 1 352 33 33 ILE CB C 37.204 0.100 1 353 33 33 ILE CG1 C 25.971 0.100 1 354 33 33 ILE CG2 C 14.635 0.100 1 355 33 33 ILE CD1 C 11.629 0.100 1 356 33 33 ILE N N 121.187 0.141 1 357 34 34 ALA H H 8.159 0.007 1 358 34 34 ALA HA H 5.175 0.007 1 359 34 34 ALA HB H 1.316 0.007 1 360 34 34 ALA CA C 48.478 0.100 1 361 34 34 ALA CB C 18.696 0.100 1 362 34 34 ALA N N 131.192 0.141 1 363 35 35 LEU H H 8.566 0.007 1 364 35 35 LEU HA H 4.931 0.007 1 365 35 35 LEU HB2 H 1.567 0.007 2 366 35 35 LEU HB3 H 1.706 0.007 2 367 35 35 LEU HG H 1.576 0.007 1 368 35 35 LEU HD1 H 0.705 0.007 2 369 35 35 LEU HD2 H 1.031 0.007 2 370 35 35 LEU CA C 50.371 0.100 1 371 35 35 LEU CB C 43.103 0.100 1 372 35 35 LEU CG C 25.568 0.100 1 373 35 35 LEU CD1 C 24.269 0.100 2 374 35 35 LEU CD2 C 21.559 0.100 2 375 35 35 LEU N N 121.586 0.141 1 376 36 36 LEU H H 8.727 0.007 1 377 36 36 LEU HA H 4.667 0.007 1 378 36 36 LEU HB2 H 1.369 0.007 2 379 36 36 LEU HB3 H 1.410 0.007 2 380 36 36 LEU HG H 1.460 0.007 1 381 36 36 LEU HD1 H 0.580 0.007 1 382 36 36 LEU HD2 H 0.580 0.007 1 383 36 36 LEU CA C 51.624 0.100 1 384 36 36 LEU CB C 41.877 0.100 1 385 36 36 LEU CG C 23.863 0.100 1 386 36 36 LEU CD1 C 21.645 0.100 1 387 36 36 LEU N N 121.259 0.141 1 388 37 37 LYS H H 8.582 0.007 1 389 37 37 LYS HA H 4.308 0.007 1 390 37 37 LYS HB2 H 1.919 0.007 2 391 37 37 LYS HB3 H 2.022 0.007 2 392 37 37 LYS HG2 H 1.326 0.007 2 393 37 37 LYS HG3 H 1.506 0.007 2 394 37 37 LYS HD2 H 1.552 0.007 2 395 37 37 LYS HD3 H 1.609 0.007 2 396 37 37 LYS HE2 H 2.971 0.007 1 397 37 37 LYS HE3 H 2.971 0.007 1 398 37 37 LYS CA C 54.143 0.100 1 399 37 37 LYS CB C 31.174 0.100 1 400 37 37 LYS CG C 24.007 0.100 1 401 37 37 LYS CD C 27.048 0.100 1 402 37 37 LYS CE C 39.390 0.100 1 403 37 37 LYS N N 119.341 0.141 1 404 38 38 ASP H H 8.528 0.007 1 405 38 38 ASP HA H 4.298 0.007 1 406 38 38 ASP HB2 H 2.674 0.007 2 407 38 38 ASP HB3 H 2.740 0.007 2 408 38 38 ASP CA C 53.519 0.100 1 409 38 38 ASP CB C 37.584 0.100 1 410 38 38 ASP N N 119.720 0.141 1 411 39 39 ASP H H 7.340 0.007 1 412 39 39 ASP HA H 4.361 0.007 1 413 39 39 ASP HB2 H 2.678 0.007 2 414 39 39 ASP HB3 H 2.981 0.007 2 415 39 39 ASP CA C 51.506 0.100 1 416 39 39 ASP CB C 37.297 0.100 1 417 39 39 ASP N N 116.408 0.141 1 418 40 40 GLY H H 8.340 0.007 1 419 40 40 GLY HA2 H 4.080 0.007 2 420 40 40 GLY HA3 H 4.080 0.007 2 421 40 40 GLY CA C 43.584 0.100 1 422 40 40 GLY N N 108.598 0.141 1 423 41 41 GLU H H 8.438 0.007 1 424 41 41 GLU HA H 4.450 0.007 1 425 41 41 GLU HB2 H 1.703 0.007 2 426 41 41 GLU HB3 H 1.897 0.007 2 427 41 41 GLU HG2 H 2.010 0.007 2 428 41 41 GLU HG3 H 2.124 0.007 2 429 41 41 GLU CA C 54.511 0.100 1 430 41 41 GLU CB C 30.945 0.100 1 431 41 41 GLU CG C 33.114 0.100 1 432 41 41 GLU N N 117.861 0.141 1 433 42 42 THR H H 9.384 0.007 1 434 42 42 THR HA H 4.194 0.007 1 435 42 42 THR HB H 4.104 0.007 1 436 42 42 THR HG2 H 1.189 0.007 1 437 42 42 THR CA C 60.176 0.100 1 438 42 42 THR CB C 66.163 0.100 1 439 42 42 THR CG2 C 19.341 0.100 1 440 42 42 THR N N 119.928 0.141 1 441 43 43 GLU H H 8.623 0.007 1 442 43 43 GLU HA H 4.893 0.007 1 443 43 43 GLU HB2 H 1.905 0.007 1 444 43 43 GLU HB3 H 1.905 0.007 1 445 43 43 GLU HG2 H 2.097 0.007 2 446 43 43 GLU HG3 H 2.237 0.007 2 447 43 43 GLU CA C 53.090 0.100 1 448 43 43 GLU CB C 29.061 0.100 1 449 43 43 GLU CG C 33.804 0.100 1 450 43 43 GLU N N 125.102 0.141 1 451 44 44 GLN H H 9.266 0.007 1 452 44 44 GLN HA H 4.462 0.007 1 453 44 44 GLN HB2 H 1.708 0.007 2 454 44 44 GLN HB3 H 1.908 0.007 2 455 44 44 GLN HG2 H 1.823 0.007 1 456 44 44 GLN HG3 H 1.823 0.007 1 457 44 44 GLN HE21 H 6.690 0.007 2 458 44 44 GLN HE22 H 7.053 0.007 2 459 44 44 GLN CA C 52.126 0.100 1 460 44 44 GLN CB C 29.176 0.100 1 461 44 44 GLN CG C 31.600 0.100 1 462 44 44 GLN N N 124.959 0.141 1 463 44 44 GLN NE2 N 112.092 0.141 1 464 45 45 THR H H 7.867 0.007 1 465 45 45 THR HA H 5.634 0.007 1 466 45 45 THR HB H 3.996 0.007 1 467 45 45 THR HG2 H 1.082 0.007 1 468 45 45 THR CA C 56.385 0.100 1 469 45 45 THR CB C 68.822 0.100 1 470 45 45 THR CG2 C 19.210 0.100 1 471 45 45 THR N N 113.767 0.141 1 472 46 46 PHE H H 9.220 0.007 1 473 46 46 PHE HA H 4.805 0.007 1 474 46 46 PHE HB2 H 2.467 0.007 2 475 46 46 PHE HB3 H 2.837 0.007 2 476 46 46 PHE HD1 H 7.084 0.007 3 477 46 46 PHE HD2 H 7.084 0.007 3 478 46 46 PHE HE1 H 6.809 0.007 3 479 46 46 PHE HE2 H 6.809 0.007 3 480 46 46 PHE CA C 51.951 0.100 1 481 46 46 PHE CB C 38.493 0.100 1 482 46 46 PHE CD2 C 129.827 0.100 3 483 46 46 PHE CE2 C 127.905 0.100 3 484 46 46 PHE CZ C 130.582 0.100 1 485 46 46 PHE N N 120.057 0.141 1 486 47 47 PRO HA H 4.373 0.007 1 487 47 47 PRO HB2 H 2.206 0.007 1 488 47 47 PRO HB3 H 2.206 0.007 1 489 47 47 PRO HG2 H 1.845 0.007 2 490 47 47 PRO HG3 H 2.024 0.007 2 491 47 47 PRO HD2 H 3.879 0.007 2 492 47 47 PRO HD3 H 3.997 0.007 2 493 47 47 PRO CA C 60.066 0.100 1 494 47 47 PRO CB C 29.969 0.100 1 495 47 47 PRO CG C 24.173 0.100 1 496 47 47 PRO CD C 48.191 0.100 1 497 48 48 PHE H H 10.309 0.007 1 498 48 48 PHE HA H 4.716 0.007 1 499 48 48 PHE HB2 H 3.874 0.007 2 500 48 48 PHE HB3 H 2.986 0.007 2 501 48 48 PHE HD1 H 7.521 0.007 3 502 48 48 PHE HD2 H 7.521 0.007 3 503 48 48 PHE CA C 53.642 0.100 1 504 48 48 PHE CB C 34.495 0.100 1 505 48 48 PHE CD1 C 128.522 0.100 3 506 48 48 PHE N N 129.118 0.141 1 507 49 49 THR H H 7.116 0.007 1 508 49 49 THR HA H 4.297 0.007 1 509 49 49 THR HB H 4.462 0.007 1 510 49 49 THR HG2 H 1.145 0.007 1 511 49 49 THR CA C 58.197 0.100 1 512 49 49 THR CB C 66.854 0.100 1 513 49 49 THR CG2 C 21.228 0.100 1 514 49 49 THR N N 113.109 0.141 1 515 50 50 ARG H H 7.978 0.007 1 516 50 50 ARG HA H 2.456 0.007 1 517 50 50 ARG HB2 H 1.158 0.007 2 518 50 50 ARG HB3 H 0.977 0.007 2 519 50 50 ARG HG2 H 1.180 0.007 1 520 50 50 ARG HG3 H 1.180 0.007 1 521 50 50 ARG HD2 H 2.801 0.007 2 522 50 50 ARG HD3 H 2.727 0.007 2 523 50 50 ARG HE H 6.446 0.007 1 524 50 50 ARG CA C 56.521 0.100 1 525 50 50 ARG CB C 28.315 0.100 1 526 50 50 ARG CG C 24.158 0.100 1 527 50 50 ARG CD C 40.680 0.100 1 528 50 50 ARG N N 119.044 0.141 1 529 50 50 ARG NE N 84.000 0.141 1 530 51 51 GLU H H 9.296 0.007 1 531 51 51 GLU HA H 4.196 0.007 1 532 51 51 GLU HB2 H 1.823 0.007 2 533 51 51 GLU HB3 H 1.918 0.007 2 534 51 51 GLU HG2 H 1.915 0.007 2 535 51 51 GLU HG3 H 2.394 0.007 2 536 51 51 GLU CA C 54.701 0.100 1 537 51 51 GLU CB C 24.324 0.100 1 538 51 51 GLU CG C 33.078 0.100 1 539 51 51 GLU N N 120.630 0.141 1 540 52 52 LYS H H 7.512 0.007 1 541 52 52 LYS HA H 4.292 0.007 1 542 52 52 LYS HB2 H 1.414 0.007 1 543 52 52 LYS HB3 H 1.414 0.007 1 544 52 52 LYS HG2 H 1.153 0.007 2 545 52 52 LYS HG3 H 0.718 0.007 2 546 52 52 LYS HD2 H 1.007 0.007 2 547 52 52 LYS HD3 H 1.356 0.007 2 548 52 52 LYS HE2 H 2.531 0.007 2 549 52 52 LYS HE3 H 2.585 0.007 2 550 52 52 LYS CA C 53.187 0.100 1 551 52 52 LYS CB C 31.194 0.100 1 552 52 52 LYS CG C 23.758 0.100 1 553 52 52 LYS CD C 28.964 0.100 1 554 52 52 LYS CE C 39.645 0.100 1 555 52 52 LYS N N 115.141 0.141 1 556 53 53 TRP H H 7.410 0.007 1 557 53 53 TRP HA H 4.282 0.007 1 558 53 53 TRP HB2 H 3.536 0.007 1 559 53 53 TRP HB3 H 3.536 0.007 1 560 53 53 TRP HD1 H 6.394 0.007 1 561 53 53 TRP HE1 H 10.715 0.007 1 562 53 53 TRP HE3 H 7.393 0.007 1 563 53 53 TRP HZ2 H 7.294 0.007 1 564 53 53 TRP HZ3 H 6.591 0.007 1 565 53 53 TRP HH2 H 6.982 0.007 1 566 53 53 TRP CA C 56.561 0.100 1 567 53 53 TRP CB C 28.574 0.100 1 568 53 53 TRP CD1 C 123.517 0.100 1 569 53 53 TRP CE3 C 117.601 0.100 1 570 53 53 TRP CZ2 C 112.808 0.100 1 571 53 53 TRP CZ3 C 118.427 0.100 1 572 53 53 TRP CH2 C 120.602 0.100 1 573 53 53 TRP N N 117.588 0.141 1 574 53 53 TRP NE1 N 134.401 0.141 1 575 54 54 ALA H H 6.396 0.007 1 576 54 54 ALA HA H 4.222 0.007 1 577 54 54 ALA HB H 0.875 0.007 1 578 54 54 ALA CA C 47.138 0.100 1 579 54 54 ALA CB C 16.566 0.100 1 580 54 54 ALA N N 131.231 0.141 1 581 55 55 LEU H H 8.100 0.007 1 582 55 55 LEU HA H 3.636 0.007 1 583 55 55 LEU HB2 H 0.770 0.007 2 584 55 55 LEU HB3 H -0.470 0.007 2 585 55 55 LEU HG H 1.099 0.007 1 586 55 55 LEU HD1 H 0.815 0.007 2 587 55 55 LEU HD2 H -0.003 0.007 2 588 55 55 LEU CA C 52.591 0.100 1 589 55 55 LEU CB C 38.885 0.100 1 590 55 55 LEU CG C 24.818 0.100 1 591 55 55 LEU CD1 C 24.489 0.100 2 592 55 55 LEU CD2 C 19.549 0.100 2 593 55 55 LEU N N 122.229 0.141 1 594 56 56 LEU H H 9.062 0.007 1 595 56 56 LEU HA H 4.376 0.007 1 596 56 56 LEU HB2 H 1.821 0.007 2 597 56 56 LEU HB3 H 1.114 0.007 2 598 56 56 LEU HG H 1.971 0.007 1 599 56 56 LEU HD1 H 0.992 0.007 2 600 56 56 LEU HD2 H 0.538 0.007 2 601 56 56 LEU CA C 51.116 0.100 1 602 56 56 LEU CB C 42.152 0.100 1 603 56 56 LEU CG C 23.451 0.100 1 604 56 56 LEU CD1 C 25.213 0.100 2 605 56 56 LEU CD2 C 20.332 0.100 2 606 56 56 LEU N N 124.239 0.141 1 607 57 57 ASP H H 7.686 0.007 1 608 57 57 ASP HA H 4.780 0.007 1 609 57 57 ASP HB2 H 3.353 0.007 2 610 57 57 ASP HB3 H 2.686 0.007 2 611 57 57 ASP CA C 48.825 0.100 1 612 57 57 ASP CB C 40.656 0.100 1 613 57 57 ASP N N 118.843 0.141 1 614 58 58 GLU H H 8.613 0.007 1 615 58 58 GLU HA H 3.732 0.007 1 616 58 58 GLU HB2 H 1.938 0.007 2 617 58 58 GLU HB3 H 1.824 0.007 2 618 58 58 GLU HG2 H 1.994 0.007 2 619 58 58 GLU HG3 H 2.082 0.007 2 620 58 58 GLU CA C 56.148 0.100 1 621 58 58 GLU CB C 27.179 0.100 1 622 58 58 GLU CG C 33.169 0.100 1 623 58 58 GLU N N 118.066 0.141 1 624 59 59 GLU H H 7.809 0.007 1 625 59 59 GLU HA H 3.867 0.007 1 626 59 59 GLU HB2 H 1.932 0.007 1 627 59 59 GLU HB3 H 1.932 0.007 1 628 59 59 GLU HG2 H 2.214 0.007 1 629 59 59 GLU HG3 H 2.214 0.007 1 630 59 59 GLU CA C 55.484 0.100 1 631 59 59 GLU CB C 26.612 0.100 1 632 59 59 GLU CG C 33.497 0.100 1 633 59 59 GLU N N 116.745 0.141 1 634 60 60 THR H H 7.814 0.007 1 635 60 60 THR HA H 3.840 0.007 1 636 60 60 THR HB H 4.076 0.007 1 637 60 60 THR HG2 H 1.092 0.007 1 638 60 60 THR CA C 63.401 0.100 1 639 60 60 THR CB C 65.583 0.100 1 640 60 60 THR CG2 C 19.412 0.100 1 641 60 60 THR N N 116.240 0.141 1 642 61 61 LEU H H 6.775 0.007 1 643 61 61 LEU HA H 3.711 0.007 1 644 61 61 LEU HB2 H 1.241 0.007 1 645 61 61 LEU HB3 H 1.241 0.007 1 646 61 61 LEU HG H 1.238 0.007 1 647 61 61 LEU HD1 H 0.666 0.007 2 648 61 61 LEU HD2 H 0.139 0.007 2 649 61 61 LEU CA C 50.367 0.100 1 650 61 61 LEU CB C 37.650 0.100 1 651 61 61 LEU CG C 24.458 0.100 1 652 61 61 LEU CD1 C 23.757 0.100 2 653 61 61 LEU CD2 C 20.657 0.100 2 654 61 61 LEU N N 119.699 0.141 1 655 62 62 LYS H H 6.942 0.007 1 656 62 62 LYS HA H 4.357 0.007 1 657 62 62 LYS HB2 H 1.707 0.007 2 658 62 62 LYS HB3 H 1.758 0.007 2 659 62 62 LYS HG2 H 1.368 0.007 1 660 62 62 LYS HG3 H 1.368 0.007 1 661 62 62 LYS HD2 H 1.593 0.007 1 662 62 62 LYS HD3 H 1.593 0.007 1 663 62 62 LYS HE2 H 2.842 0.007 1 664 62 62 LYS HE3 H 2.842 0.007 1 665 62 62 LYS CA C 52.658 0.100 1 666 62 62 LYS CB C 32.102 0.100 1 667 62 62 LYS CG C 21.884 0.100 1 668 62 62 LYS CD C 27.122 0.100 1 669 62 62 LYS CE C 39.529 0.100 1 670 62 62 LYS N N 119.750 0.141 1 671 63 63 GLU H H 8.802 0.007 1 672 63 63 GLU HA H 4.298 0.007 1 673 63 63 GLU HB2 H 2.181 0.007 1 674 63 63 GLU HB3 H 2.181 0.007 1 675 63 63 GLU HG2 H 2.670 0.007 2 676 63 63 GLU HG3 H 2.215 0.007 2 677 63 63 GLU CA C 53.975 0.100 1 678 63 63 GLU CB C 28.396 0.100 1 679 63 63 GLU CG C 35.748 0.100 1 680 63 63 GLU N N 123.316 0.141 1 681 64 64 GLY H H 8.906 0.007 1 682 64 64 GLY HA2 H 4.188 0.007 2 683 64 64 GLY HA3 H 4.188 0.007 2 684 64 64 GLY CA C 43.464 0.100 1 685 64 64 GLY N N 111.768 0.141 1 686 65 65 ARG H H 8.204 0.007 1 687 65 65 ARG HA H 5.097 0.007 1 688 65 65 ARG HB2 H 1.643 0.007 1 689 65 65 ARG HB3 H 1.643 0.007 1 690 65 65 ARG HG2 H 1.399 0.007 2 691 65 65 ARG HG3 H 1.366 0.007 1 692 65 65 ARG HD2 H 3.106 0.007 2 693 65 65 ARG HD3 H 3.034 0.007 1 694 65 65 ARG HE H 7.149 0.007 1 695 65 65 ARG CA C 52.906 0.100 1 696 65 65 ARG CB C 30.411 0.100 1 697 65 65 ARG CG C 24.933 0.100 1 698 65 65 ARG CD C 41.083 0.100 1 699 65 65 ARG N N 119.868 0.141 1 700 65 65 ARG NE N 84.168 0.141 1 701 66 66 THR H H 8.844 0.007 1 702 66 66 THR HA H 4.633 0.007 1 703 66 66 THR HB H 4.085 0.007 1 704 66 66 THR HG2 H 1.143 0.007 1 705 66 66 THR CA C 58.475 0.100 1 706 66 66 THR CB C 68.567 0.100 1 707 66 66 THR CG2 C 19.188 0.100 1 708 66 66 THR N N 119.750 0.141 1 709 67 67 THR H H 8.688 0.007 1 710 67 67 THR HA H 4.693 0.007 1 711 67 67 THR HB H 3.985 0.007 1 712 67 67 THR HG2 H 1.104 0.007 1 713 67 67 THR CA C 59.214 0.100 1 714 67 67 THR CB C 67.414 0.100 1 715 67 67 THR CG2 C 19.206 0.100 1 716 67 67 THR N N 120.448 0.141 1 717 68 68 GLU H H 8.541 0.007 1 718 68 68 GLU HA H 4.387 0.007 1 719 68 68 GLU HB2 H 1.946 0.007 2 720 68 68 GLU HB3 H 2.133 0.007 2 721 68 68 GLU HG2 H 2.311 0.007 2 722 68 68 GLU HG3 H 2.224 0.007 2 723 68 68 GLU CA C 52.859 0.100 1 724 68 68 GLU CB C 28.036 0.100 1 725 68 68 GLU CG C 33.179 0.100 1 726 68 68 GLU N N 125.400 0.141 1 727 69 69 GLU H H 8.752 0.007 1 728 69 69 GLU HA H 4.000 0.007 1 729 69 69 GLU HB2 H 1.981 0.007 1 730 69 69 GLU HB3 H 1.981 0.007 1 731 69 69 GLU HG2 H 2.185 0.007 1 732 69 69 GLU HG3 H 2.185 0.007 1 733 69 69 GLU CA C 56.050 0.100 1 734 69 69 GLU CB C 27.102 0.100 1 735 69 69 GLU CG C 33.756 0.100 1 736 69 69 GLU N N 123.427 0.141 1 737 70 70 GLU H H 8.465 0.007 1 738 70 70 GLU HA H 4.162 0.007 1 739 70 70 GLU HB2 H 1.945 0.007 2 740 70 70 GLU HB3 H 2.077 0.007 2 741 70 70 GLU HG2 H 2.184 0.007 2 742 70 70 GLU HG3 H 2.046 0.007 2 743 70 70 GLU CA C 54.531 0.100 1 744 70 70 GLU CB C 26.435 0.100 1 745 70 70 GLU CG C 33.871 0.100 1 746 70 70 GLU N N 117.356 0.141 1 747 71 71 GLY H H 7.884 0.007 1 748 71 71 GLY HA2 H 3.970 0.007 2 749 71 71 GLY HA3 H 3.970 0.007 2 750 71 71 GLY CA C 42.704 0.100 1 751 71 71 GLY N N 107.407 0.141 1 752 72 72 GLY H H 8.132 0.007 1 753 72 72 GLY HA3 H 3.981 0.007 2 754 72 72 GLY CA C 42.340 0.100 1 755 72 72 GLY N N 109.557 0.141 1 756 73 73 THR H H 8.688 0.007 1 757 73 73 THR HA H 4.857 0.007 1 758 73 73 THR HB H 3.976 0.007 1 759 73 73 THR HG2 H 1.001 0.007 1 760 73 73 THR CA C 59.730 0.100 1 761 73 73 THR CB C 67.574 0.100 1 762 73 73 THR CG2 C 18.926 0.100 1 763 73 73 THR N N 118.184 0.141 1 764 74 74 TYR H H 9.073 0.007 1 765 74 74 TYR HA H 4.168 0.007 1 766 74 74 TYR HB2 H 2.836 0.007 2 767 74 74 TYR HB3 H 2.235 0.007 2 768 74 74 TYR HD1 H 5.880 0.007 1 769 74 74 TYR HD2 H 5.880 0.007 1 770 74 74 TYR HE1 H 6.321 0.007 1 771 74 74 TYR HE2 H 6.321 0.007 1 772 74 74 TYR CA C 55.312 0.100 1 773 74 74 TYR CB C 37.758 0.100 1 774 74 74 TYR CD1 C 130.151 0.100 1 775 74 74 TYR CE1 C 115.034 0.100 1 776 74 74 TYR N N 131.149 0.141 1 777 75 75 ILE H H 8.303 0.007 1 778 75 75 ILE HA H 4.448 0.007 1 779 75 75 ILE HB H 1.316 0.007 1 780 75 75 ILE HG12 H 1.278 0.007 2 781 75 75 ILE HG13 H 0.614 0.007 2 782 75 75 ILE HG2 H 0.299 0.007 1 783 75 75 ILE HD1 H 0.610 0.007 1 784 75 75 ILE CA C 57.779 0.100 1 785 75 75 ILE CB C 38.479 0.100 1 786 75 75 ILE CG1 C 25.670 0.100 1 787 75 75 ILE CG2 C 13.911 0.100 1 788 75 75 ILE CD1 C 11.441 0.100 1 789 75 75 ILE N N 129.048 0.141 1 790 76 76 SER H H 8.581 0.007 1 791 76 76 SER HA H 5.030 0.007 1 792 76 76 SER HB2 H 4.025 0.007 2 793 76 76 SER HB3 H 3.933 0.007 2 794 76 76 SER CA C 53.413 0.100 1 795 76 76 SER CB C 61.927 0.100 1 796 76 76 SER N N 121.904 0.141 1 797 77 77 HIS H H 8.667 0.007 1 798 77 77 HIS HA H 5.014 0.007 1 799 77 77 HIS HB2 H 2.991 0.007 2 800 77 77 HIS HB3 H 3.489 0.007 2 801 77 77 HIS HD2 H 7.193 0.007 1 802 77 77 HIS CA C 50.688 0.100 1 803 77 77 HIS CB C 27.929 0.100 1 804 77 77 HIS CD2 C 116.462 0.100 1 805 77 77 HIS CE1 C 133.578 0.100 1 806 77 77 HIS N N 118.440 0.141 1 807 78 78 PHE H H 9.356 0.007 1 808 78 78 PHE HA H 5.173 0.007 1 809 78 78 PHE HB2 H 2.958 0.007 2 810 78 78 PHE HB3 H 2.748 0.007 2 811 78 78 PHE HD1 H 7.331 0.007 3 812 78 78 PHE HD2 H 7.331 0.007 3 813 78 78 PHE CA C 56.232 0.100 1 814 78 78 PHE CB C 35.559 0.100 1 815 78 78 PHE CD1 C 129.844 0.100 3 816 78 78 PHE N N 120.652 0.141 1 817 79 79 THR H H 8.242 0.007 1 818 79 79 THR HA H 3.776 0.007 1 819 79 79 THR HB H 3.959 0.007 1 820 79 79 THR HG2 H 0.608 0.007 1 821 79 79 THR CA C 59.561 0.100 1 822 79 79 THR CB C 64.685 0.100 1 823 79 79 THR CG2 C 20.971 0.100 1 824 79 79 THR N N 117.865 0.141 1 825 80 80 VAL H H 7.537 0.007 1 826 80 80 VAL HA H 4.068 0.007 1 827 80 80 VAL HB H 1.677 0.007 1 828 80 80 VAL HG1 H 0.891 0.007 2 829 80 80 VAL HG2 H 0.826 0.007 1 830 80 80 VAL CA C 59.899 0.100 1 831 80 80 VAL CB C 32.895 0.100 1 832 80 80 VAL CG1 C 18.792 0.100 2 833 80 80 VAL CG2 C 18.200 0.100 1 834 80 80 VAL N N 121.160 0.141 1 835 81 81 ASN H H 9.573 0.007 1 836 81 81 ASN HA H 4.875 0.007 1 837 81 81 ASN HB2 H 2.163 0.007 2 838 81 81 ASN HB3 H 2.908 0.007 2 839 81 81 ASN HD21 H 6.514 0.007 2 840 81 81 ASN HD22 H 7.499 0.007 2 841 81 81 ASN CA C 49.074 0.100 1 842 81 81 ASN CB C 36.209 0.100 1 843 81 81 ASN N N 128.181 0.141 1 844 81 81 ASN ND2 N 111.027 0.141 1 845 82 82 GLU H H 7.724 0.007 1 846 82 82 GLU HA H 4.781 0.007 1 847 82 82 GLU HB2 H 2.360 0.007 1 848 82 82 GLU HB3 H 2.360 0.007 1 849 82 82 GLU HG2 H 2.275 0.007 1 850 82 82 GLU HG3 H 2.275 0.007 1 851 82 82 GLU CA C 51.861 0.100 1 852 82 82 GLU CB C 27.038 0.100 1 853 82 82 GLU CG C 33.249 0.100 1 854 82 82 GLU N N 121.769 0.141 1 855 83 83 PRO HA H 4.209 0.007 1 856 83 83 PRO HB2 H 2.375 0.007 2 857 83 83 PRO HB3 H 1.814 0.007 2 858 83 83 PRO HG2 H 1.941 0.007 1 859 83 83 PRO HG3 H 1.941 0.007 1 860 83 83 PRO HD2 H 3.782 0.007 2 861 83 83 PRO HD3 H 3.833 0.007 2 862 83 83 PRO CA C 63.451 0.100 1 863 83 83 PRO CB C 29.466 0.100 1 864 83 83 PRO CG C 25.482 0.100 1 865 83 83 PRO CD C 48.053 0.100 1 866 84 84 ALA H H 8.189 0.007 1 867 84 84 ALA HA H 4.676 0.007 1 868 84 84 ALA HB H 1.320 0.007 1 869 84 84 ALA CA C 47.925 0.100 1 870 84 84 ALA CB C 17.610 0.100 1 871 84 84 ALA N N 113.294 0.141 1 872 85 85 HIS H H 7.185 0.007 1 873 85 85 HIS HA H 5.579 0.007 1 874 85 85 HIS HB2 H 3.101 0.007 2 875 85 85 HIS HB3 H 3.263 0.007 2 876 85 85 HIS CA C 52.829 0.100 1 877 85 85 HIS CB C 28.755 0.100 1 878 85 85 HIS CD2 C 116.080 0.100 1 879 85 85 HIS CE1 C 134.042 0.100 1 880 85 85 HIS N N 119.622 0.141 1 881 86 86 LYS H H 9.385 0.007 1 882 86 86 LYS HA H 5.010 0.007 1 883 86 86 LYS HB2 H 1.567 0.007 2 884 86 86 LYS HB3 H 1.161 0.007 2 885 86 86 LYS HG2 H 1.070 0.007 2 886 86 86 LYS HG3 H 0.402 0.007 2 887 86 86 LYS HD2 H -1.024 0.007 2 888 86 86 LYS HD3 H 0.490 0.007 2 889 86 86 LYS HE2 H 1.936 0.007 2 890 86 86 LYS HE3 H 1.854 0.007 2 891 86 86 LYS CA C 51.323 0.100 1 892 86 86 LYS CB C 34.290 0.100 1 893 86 86 LYS CG C 22.501 0.100 1 894 86 86 LYS CD C 24.446 0.100 1 895 86 86 LYS CE C 39.979 0.100 1 896 86 86 LYS N N 124.978 0.141 1 897 87 87 GLU H H 9.207 0.007 1 898 87 87 GLU HA H 5.601 0.007 1 899 87 87 GLU HB2 H 2.011 0.007 2 900 87 87 GLU HB3 H 1.902 0.007 2 901 87 87 GLU HG2 H 2.089 0.007 2 902 87 87 GLU HG3 H 2.446 0.007 2 903 87 87 GLU CA C 52.704 0.100 1 904 87 87 GLU CB C 29.281 0.100 1 905 87 87 GLU CG C 34.395 0.100 1 906 87 87 GLU N N 119.737 0.141 1 907 88 88 PHE H H 9.410 0.007 1 908 88 88 PHE HA H 4.715 0.007 1 909 88 88 PHE HB2 H 2.712 0.007 2 910 88 88 PHE HB3 H 2.495 0.007 2 911 88 88 PHE HD1 H 5.785 0.007 3 912 88 88 PHE HD2 H 5.785 0.007 3 913 88 88 PHE HE1 H 6.740 0.007 3 914 88 88 PHE HE2 H 6.740 0.007 3 915 88 88 PHE CA C 53.663 0.100 1 916 88 88 PHE CB C 41.463 0.100 1 917 88 88 PHE CD2 C 128.439 0.100 3 918 88 88 PHE CE2 C 128.168 0.100 3 919 88 88 PHE N N 125.272 0.141 1 920 89 89 GLU H H 8.304 0.007 1 921 89 89 GLU HA H 5.310 0.007 1 922 89 89 GLU HB2 H 1.626 0.007 2 923 89 89 GLU HB3 H 1.779 0.007 2 924 89 89 GLU HG2 H 2.150 0.007 2 925 89 89 GLU HG3 H 2.317 0.007 2 926 89 89 GLU CA C 51.795 0.100 1 927 89 89 GLU CB C 32.550 0.100 1 928 89 89 GLU CG C 34.663 0.100 1 929 89 89 GLU N N 125.171 0.141 1 930 90 90 ALA H H 8.829 0.007 1 931 90 90 ALA HA H 5.367 0.007 1 932 90 90 ALA HB H 1.331 0.007 1 933 90 90 ALA CA C 46.881 0.100 1 934 90 90 ALA CB C 21.262 0.100 1 935 90 90 ALA N N 123.704 0.141 1 936 91 91 GLY H H 7.537 0.007 1 937 91 91 GLY HA2 H 4.119 0.007 2 938 91 91 GLY HA3 H 4.119 0.007 2 939 91 91 GLY CA C 43.188 0.100 1 940 91 91 GLY N N 106.808 0.141 1 941 92 92 TYR H H 8.737 0.007 1 942 92 92 TYR HA H 4.733 0.007 1 943 92 92 TYR HB2 H 3.058 0.007 2 944 92 92 TYR HB3 H 2.583 0.007 2 945 92 92 TYR HD1 H 7.095 0.007 1 946 92 92 TYR HD2 H 7.095 0.007 1 947 92 92 TYR HE1 H 6.743 0.007 1 948 92 92 TYR HE2 H 6.743 0.007 1 949 92 92 TYR CA C 54.409 0.100 1 950 92 92 TYR CB C 36.373 0.100 1 951 92 92 TYR CD2 C 130.723 0.100 1 952 92 92 TYR CE2 C 115.827 0.100 1 953 92 92 TYR N N 118.939 0.141 1 954 93 93 ASP H H 8.571 0.007 1 955 93 93 ASP HA H 4.314 0.007 1 956 93 93 ASP HB2 H 2.480 0.007 2 957 93 93 ASP HB3 H 2.617 0.007 2 958 93 93 ASP CA C 52.738 0.100 1 959 93 93 ASP CB C 39.069 0.100 1 960 93 93 ASP N N 121.558 0.141 1 961 94 94 GLU H H 8.475 0.007 1 962 94 94 GLU HA H 3.931 0.007 1 963 94 94 GLU HB2 H 2.156 0.007 2 964 94 94 GLU HB3 H 2.090 0.007 2 965 94 94 GLU HG2 H 2.181 0.007 1 966 94 94 GLU HG3 H 2.181 0.007 1 967 94 94 GLU CA C 55.269 0.100 1 968 94 94 GLU CB C 25.439 0.100 1 969 94 94 GLU CG C 33.943 0.100 1 970 94 94 GLU N N 119.338 0.141 1 971 95 95 SER H H 7.776 0.007 1 972 95 95 SER HA H 4.725 0.007 1 973 95 95 SER HB2 H 3.899 0.007 2 974 95 95 SER HB3 H 3.698 0.007 2 975 95 95 SER CA C 54.583 0.100 1 976 95 95 SER CB C 62.698 0.100 1 977 95 95 SER N N 113.672 0.141 1 978 96 96 GLU H H 8.276 0.007 1 979 96 96 GLU HA H 4.432 0.007 1 980 96 96 GLU HB2 H 1.779 0.007 2 981 96 96 GLU HB3 H 2.030 0.007 2 982 96 96 GLU HG2 H 2.289 0.007 2 983 96 96 GLU HG3 H 2.244 0.007 2 984 96 96 GLU CA C 52.332 0.100 1 985 96 96 GLU CB C 26.104 0.100 1 986 96 96 GLU CG C 33.214 0.100 1 987 96 96 GLU N N 122.863 0.141 1 988 97 97 PRO HA H 4.389 0.007 1 989 97 97 PRO HB2 H 2.156 0.007 2 990 97 97 PRO HB3 H 1.724 0.007 2 991 97 97 PRO HG2 H 1.805 0.007 1 992 97 97 PRO HG3 H 1.805 0.007 1 993 97 97 PRO HD2 H 3.553 0.007 2 994 97 97 PRO HD3 H 3.627 0.007 2 995 97 97 PRO CA C 61.454 0.100 1 996 97 97 PRO CB C 29.668 0.100 1 997 97 97 PRO CG C 24.839 0.100 1 998 97 97 PRO CD C 47.780 0.100 1 999 98 98 SER H H 9.320 0.007 1 1000 98 98 SER HA H 4.615 0.007 1 1001 98 98 SER HB2 H 3.958 0.007 2 1002 98 98 SER HB3 H 3.849 0.007 2 1003 98 98 SER CA C 57.502 0.100 1 1004 98 98 SER CB C 61.792 0.100 1 1005 98 98 SER N N 118.366 0.141 1 1006 99 99 LEU H H 7.992 0.007 1 1007 99 99 LEU HA H 5.180 0.007 1 1008 99 99 LEU HB2 H 1.649 0.007 2 1009 99 99 LEU HB3 H 1.513 0.007 2 1010 99 99 LEU HG H 1.399 0.007 1 1011 99 99 LEU HD1 H 0.837 0.007 2 1012 99 99 LEU HD2 H 0.919 0.007 2 1013 99 99 LEU CA C 51.593 0.100 1 1014 99 99 LEU CB C 43.908 0.100 1 1015 99 99 LEU CG C 25.815 0.100 1 1016 99 99 LEU CD1 C 24.176 0.100 2 1017 99 99 LEU CD2 C 20.079 0.100 2 1018 99 99 LEU N N 121.485 0.141 1 1019 100 100 ARG H H 9.465 0.007 1 1020 100 100 ARG HA H 5.758 0.007 1 1021 100 100 ARG HB2 H 1.754 0.007 2 1022 100 100 ARG HB3 H 1.900 0.007 2 1023 100 100 ARG HG2 H 1.697 0.007 2 1024 100 100 ARG HG3 H 1.366 0.007 2 1025 100 100 ARG HD2 H 3.232 0.007 2 1026 100 100 ARG HD3 H 3.154 0.007 2 1027 100 100 ARG HE H 7.405 0.007 1 1028 100 100 ARG CA C 52.224 0.100 1 1029 100 100 ARG CB C 31.740 0.100 1 1030 100 100 ARG CG C 25.984 0.100 1 1031 100 100 ARG CD C 40.532 0.100 1 1032 100 100 ARG N N 125.811 0.141 1 1033 100 100 ARG NE N 84.200 0.141 1 1034 101 101 VAL H H 9.639 0.007 1 1035 101 101 VAL HA H 4.517 0.007 1 1036 101 101 VAL HB H 1.811 0.007 1 1037 101 101 VAL HG1 H 0.970 0.007 1 1038 101 101 VAL HG2 H 0.442 0.007 1 1039 101 101 VAL CA C 59.407 0.100 1 1040 101 101 VAL CB C 33.087 0.100 1 1041 101 101 VAL CG1 C 19.273 0.100 1 1042 101 101 VAL CG2 C 21.635 0.100 1 1043 101 101 VAL N N 124.952 0.141 1 1044 102 102 VAL H H 8.102 0.007 1 1045 102 102 VAL HA H 4.526 0.007 1 1046 102 102 VAL HB H 1.859 0.007 1 1047 102 102 VAL HG1 H 0.811 0.007 1 1048 102 102 VAL HG2 H 0.828 0.007 2 1049 102 102 VAL CA C 59.611 0.100 1 1050 102 102 VAL CB C 30.749 0.100 1 1051 102 102 VAL CG1 C 18.120 0.100 1 1052 102 102 VAL CG2 C 18.613 0.100 2 1053 102 102 VAL N N 126.668 0.141 1 1054 103 103 PHE H H 9.395 0.007 1 1055 103 103 PHE HA H 5.837 0.007 1 1056 103 103 PHE HB2 H 3.074 0.007 2 1057 103 103 PHE HB3 H 2.859 0.007 2 1058 103 103 PHE HD1 H 7.025 0.007 3 1059 103 103 PHE HD2 H 7.025 0.007 3 1060 103 103 PHE CA C 52.830 0.100 1 1061 103 103 PHE CB C 40.252 0.100 1 1062 103 103 PHE CD1 C 130.501 0.100 3 1063 103 103 PHE N N 124.322 0.141 1 1064 104 104 GLU H H 9.737 0.007 1 1065 104 104 GLU HA H 5.198 0.007 1 1066 104 104 GLU HB2 H 2.012 0.007 2 1067 104 104 GLU HB3 H 1.810 0.007 2 1068 104 104 GLU HG2 H 2.248 0.007 2 1069 104 104 GLU HG3 H 2.180 0.007 2 1070 104 104 GLU CA C 52.919 0.100 1 1071 104 104 GLU CB C 32.665 0.100 1 1072 104 104 GLU CG C 35.124 0.100 1 1073 104 104 GLU N N 120.891 0.141 1 1074 105 105 LEU H H 7.209 0.007 1 1075 105 105 LEU HA H 3.930 0.007 1 1076 105 105 LEU HB2 H 1.023 0.007 2 1077 105 105 LEU HB3 H -0.669 0.007 2 1078 105 105 LEU HG H 0.363 0.007 1 1079 105 105 LEU HD1 H -0.379 0.007 2 1080 105 105 LEU HD2 H 0.191 0.007 2 1081 105 105 LEU CA C 50.966 0.100 1 1082 105 105 LEU CB C 39.839 0.100 1 1083 105 105 LEU CG C 23.437 0.100 1 1084 105 105 LEU CD1 C 19.906 0.100 2 1085 105 105 LEU CD2 C 22.970 0.100 2 1086 105 105 LEU N N 127.838 0.141 1 1087 106 106 THR H H 9.265 0.007 1 1088 106 106 THR HA H 4.314 0.007 1 1089 106 106 THR HB H 3.750 0.007 1 1090 106 106 THR HG2 H 0.950 0.007 1 1091 106 106 THR CA C 59.122 0.100 1 1092 106 106 THR CB C 68.330 0.100 1 1093 106 106 THR CG2 C 18.910 0.100 1 1094 106 106 THR N N 123.343 0.141 1 1095 107 107 ASP H H 9.325 0.007 1 1096 107 107 ASP HA H 4.167 0.007 1 1097 107 107 ASP HB2 H 2.844 0.007 2 1098 107 107 ASP HB3 H 2.510 0.007 2 1099 107 107 ASP CA C 52.595 0.100 1 1100 107 107 ASP CB C 37.152 0.100 1 1101 107 107 ASP N N 128.035 0.141 1 1102 108 108 GLY H H 8.415 0.007 1 1103 108 108 GLY HA2 H 3.299 0.007 2 1104 108 108 GLY HA3 H 3.299 0.007 2 1105 108 108 GLY CA C 43.613 0.100 1 1106 108 108 GLY N N 101.908 0.141 1 1107 109 109 LYS H H 7.539 0.007 1 1108 109 109 LYS HA H 4.453 0.007 1 1109 109 109 LYS HB2 H 1.573 0.007 2 1110 109 109 LYS HB3 H 1.310 0.007 2 1111 109 109 LYS HG2 H 1.206 0.007 2 1112 109 109 LYS HG3 H 1.290 0.007 2 1113 109 109 LYS HD2 H 1.551 0.007 1 1114 109 109 LYS HD3 H 1.551 0.007 1 1115 109 109 LYS HE2 H 2.972 0.007 1 1116 109 109 LYS HE3 H 2.972 0.007 1 1117 109 109 LYS CA C 51.965 0.100 1 1118 109 109 LYS CB C 34.435 0.100 1 1119 109 109 LYS CG C 23.123 0.100 1 1120 109 109 LYS CD C 26.705 0.100 1 1121 109 109 LYS CE C 39.760 0.100 1 1122 109 109 LYS N N 120.810 0.141 1 1123 110 110 TRP H H 7.622 0.007 1 1124 110 110 TRP HA H 4.270 0.007 1 1125 110 110 TRP HB2 H 1.631 0.007 2 1126 110 110 TRP HB3 H 1.030 0.007 1 1127 110 110 TRP HD1 H 6.894 0.007 1 1128 110 110 TRP HE1 H 9.455 0.007 1 1129 110 110 TRP HE3 H 7.015 0.007 1 1130 110 110 TRP HZ2 H 7.478 0.007 1 1131 110 110 TRP HZ3 H 6.446 0.007 1 1132 110 110 TRP HH2 H 6.652 0.007 1 1133 110 110 TRP CA C 54.864 0.100 1 1134 110 110 TRP CB C 25.142 0.100 1 1135 110 110 TRP CD1 C 124.704 0.100 1 1136 110 110 TRP CE3 C 117.189 0.100 1 1137 110 110 TRP CZ2 C 112.997 0.100 1 1138 110 110 TRP CZ3 C 118.498 0.100 1 1139 110 110 TRP CH2 C 122.330 0.100 1 1140 110 110 TRP N N 120.865 0.141 1 1141 110 110 TRP NE1 N 126.287 0.141 1 1142 111 111 TYR H H 8.467 0.007 1 1143 111 111 TYR HA H 5.183 0.007 1 1144 111 111 TYR HB2 H 2.511 0.007 1 1145 111 111 TYR HB3 H 2.511 0.007 1 1146 111 111 TYR HD1 H 6.820 0.007 1 1147 111 111 TYR HD2 H 6.820 0.007 1 1148 111 111 TYR HE1 H 6.806 0.007 1 1149 111 111 TYR HE2 H 6.806 0.007 1 1150 111 111 TYR CA C 53.665 0.100 1 1151 111 111 TYR CB C 40.644 0.100 1 1152 111 111 TYR CD2 C 131.094 0.100 3 1153 111 111 TYR CE2 C 115.947 0.100 1 1154 111 111 TYR N N 114.452 0.141 1 1155 112 112 VAL H H 9.003 0.007 1 1156 112 112 VAL HA H 4.283 0.007 1 1157 112 112 VAL HB H 1.717 0.007 1 1158 112 112 VAL HG1 H 0.652 0.007 1 1159 112 112 VAL HG2 H 0.700 0.007 2 1160 112 112 VAL CA C 57.745 0.100 1 1161 112 112 VAL CB C 30.303 0.100 1 1162 112 112 VAL CG1 C 22.224 0.100 1 1163 112 112 VAL CG2 C 18.912 0.100 2 1164 112 112 VAL N N 120.454 0.141 1 1165 113 113 THR H H 8.410 0.007 1 1166 113 113 THR HA H 4.544 0.007 1 1167 113 113 THR HB H 4.126 0.007 1 1168 113 113 THR HG2 H 0.981 0.007 1 1169 113 113 THR CA C 57.806 0.100 1 1170 113 113 THR CB C 66.437 0.100 1 1171 113 113 THR CG2 C 20.524 0.100 1 1172 113 113 THR N N 114.151 0.141 1 1173 114 114 ASP H H 7.679 0.007 1 1174 114 114 ASP HA H 5.159 0.007 1 1175 114 114 ASP HB2 H 2.597 0.007 2 1176 114 114 ASP HB3 H 2.339 0.007 2 1177 114 114 ASP CA C 51.066 0.100 1 1178 114 114 ASP CB C 41.002 0.100 1 1179 114 114 ASP N N 119.295 0.141 1 1180 115 115 CYS H H 8.347 0.007 1 1181 115 115 CYS HA H 5.385 0.007 1 1182 115 115 CYS HB2 H 3.293 0.007 2 1183 115 115 CYS HB3 H 2.372 0.007 2 1184 115 115 CYS CA C 54.221 0.100 1 1185 115 115 CYS CB C 28.511 0.100 1 1186 115 115 CYS N N 121.495 0.141 1 1187 116 116 TYR H H 9.109 0.007 1 1188 116 116 TYR HA H 4.899 0.007 1 1189 116 116 TYR HB2 H 3.273 0.007 2 1190 116 116 TYR HB3 H 2.557 0.007 2 1191 116 116 TYR HD1 H 6.932 0.007 1 1192 116 116 TYR HD2 H 6.932 0.007 1 1193 116 116 TYR CA C 55.090 0.100 1 1194 116 116 TYR CB C 39.100 0.100 1 1195 116 116 TYR CD2 C 130.569 0.100 1 1196 116 116 TYR CE2 C 116.646 0.100 1 1197 116 116 TYR N N 127.613 0.141 1 1198 117 117 ASN H H 8.687 0.007 1 1199 117 117 ASN HA H 4.670 0.007 1 1200 117 117 ASN HB2 H 2.781 0.007 2 1201 117 117 ASN HB3 H 2.363 0.007 2 1202 117 117 ASN HD21 H 7.493 0.007 2 1203 117 117 ASN HD22 H 7.081 0.007 2 1204 117 117 ASN CA C 49.626 0.100 1 1205 117 117 ASN CB C 39.486 0.100 1 1206 117 117 ASN N N 126.273 0.141 1 1207 117 117 ASN ND2 N 112.435 0.141 1 1208 118 118 ASP H H 7.809 0.007 1 1209 118 118 ASP HA H 4.060 0.007 1 1210 118 118 ASP HB2 H 3.192 0.007 2 1211 118 118 ASP HB3 H 2.725 0.007 2 1212 118 118 ASP CA C 53.561 0.100 1 1213 118 118 ASP CB C 38.607 0.100 1 1214 118 118 ASP N N 124.842 0.141 1 1215 119 119 TRP H H 8.215 0.007 1 1216 119 119 TRP HA H 4.004 0.007 1 1217 119 119 TRP HB2 H 1.720 0.007 2 1218 119 119 TRP HB3 H 1.877 0.007 2 1219 119 119 TRP HD1 H 6.800 0.007 1 1220 119 119 TRP HE1 H 9.787 0.007 1 1221 119 119 TRP HE3 H 7.291 0.007 1 1222 119 119 TRP HZ2 H 7.205 0.007 1 1223 119 119 TRP HZ3 H 6.965 0.007 1 1224 119 119 TRP HH2 H 6.967 0.007 1 1225 119 119 TRP CA C 58.514 0.100 1 1226 119 119 TRP CB C 27.109 0.100 1 1227 119 119 TRP CD1 C 124.211 0.100 1 1228 119 119 TRP CE3 C 118.621 0.100 1 1229 119 119 TRP CZ2 C 111.544 0.100 1 1230 119 119 TRP CZ3 C 118.960 0.100 1 1231 119 119 TRP CH2 C 121.926 0.100 1 1232 119 119 TRP N N 121.403 0.141 1 1233 119 119 TRP NE1 N 127.115 0.141 1 1234 120 120 TYR H H 7.943 0.007 1 1235 120 120 TYR HA H 4.808 0.007 1 1236 120 120 TYR HB2 H 2.767 0.007 2 1237 120 120 TYR HB3 H 2.923 0.007 2 1238 120 120 TYR HD1 H 6.599 0.007 1 1239 120 120 TYR HD2 H 6.599 0.007 1 1240 120 120 TYR HE1 H 6.265 0.007 1 1241 120 120 TYR CB C 34.971 0.100 1 1242 120 120 TYR CD1 C 129.946 0.100 1 1243 120 120 TYR CE1 C 114.157 0.100 1 1244 120 120 TYR N N 115.842 0.141 1 1245 121 121 ASN H H 6.499 0.007 1 1246 121 121 ASN HA H 4.825 0.007 1 1247 121 121 ASN HB2 H 2.848 0.007 2 1248 121 121 ASN HB3 H 2.970 0.007 2 1249 121 121 ASN HD21 H 6.737 0.007 2 1250 121 121 ASN HD22 H 7.746 0.007 2 1251 121 121 ASN CA C 50.580 0.100 1 1252 121 121 ASN CB C 37.735 0.100 1 1253 121 121 ASN N N 115.229 0.141 1 1254 121 121 ASN ND2 N 114.106 0.141 1 1255 122 122 PHE H H 8.093 0.007 1 1256 122 122 PHE HA H 4.692 0.007 1 1257 122 122 PHE HB2 H 3.206 0.007 2 1258 122 122 PHE HB3 H 3.093 0.007 2 1259 122 122 PHE HD1 H 7.336 0.007 3 1260 122 122 PHE HD2 H 7.336 0.007 3 1261 122 122 PHE CA C 56.903 0.100 1 1262 122 122 PHE CB C 37.008 0.100 1 1263 122 122 PHE CD2 C 129.430 0.100 3 1264 122 122 PHE N N 116.514 0.141 1 1265 123 123 ASP H H 8.048 0.007 1 1266 123 123 ASP HA H 4.629 0.007 1 1267 123 123 ASP HB2 H 2.526 0.007 2 1268 123 123 ASP HB3 H 2.688 0.007 2 1269 123 123 ASP CA C 51.135 0.100 1 1270 123 123 ASP CB C 38.284 0.100 1 1271 123 123 ASP N N 116.397 0.141 1 1272 124 124 LEU H H 7.842 0.007 1 1273 124 124 LEU HA H 4.380 0.007 1 1274 124 124 LEU HB2 H 2.224 0.007 2 1275 124 124 LEU HB3 H 1.352 0.007 2 1276 124 124 LEU HG H 1.022 0.007 1 1277 124 124 LEU HD1 H 0.950 0.007 2 1278 124 124 LEU HD2 H 1.089 0.007 2 1279 124 124 LEU CA C 50.866 0.100 1 1280 124 124 LEU CB C 40.630 0.100 1 1281 124 124 LEU CG C 23.827 0.100 1 1282 124 124 LEU CD1 C 22.163 0.100 2 1283 124 124 LEU CD2 C 19.257 0.100 2 1284 124 124 LEU N N 127.948 0.141 1 1285 125 125 PRO HA H 4.526 0.007 1 1286 125 125 PRO HB2 H 2.345 0.007 2 1287 125 125 PRO HB3 H 1.695 0.007 2 1288 125 125 PRO HG2 H 1.972 0.007 2 1289 125 125 PRO HG3 H 1.844 0.007 2 1290 125 125 PRO HD2 H 4.270 0.007 2 1291 125 125 PRO HD3 H 3.441 0.007 2 1292 125 125 PRO CA C 59.738 0.100 1 1293 125 125 PRO CB C 29.914 0.100 1 1294 125 125 PRO CG C 25.853 0.100 1 1295 125 125 PRO CD C 48.575 0.100 1 1296 126 126 ILE H H 8.745 0.007 1 1297 126 126 ILE HA H 3.522 0.007 1 1298 126 126 ILE HB H 1.805 0.007 1 1299 126 126 ILE HG12 H 1.108 0.007 2 1300 126 126 ILE HG13 H 1.724 0.007 2 1301 126 126 ILE HG2 H 0.954 0.007 1 1302 126 126 ILE HD1 H 0.923 0.007 1 1303 126 126 ILE CA C 62.994 0.100 1 1304 126 126 ILE CB C 35.641 0.100 1 1305 126 126 ILE CG1 C 28.352 0.100 1 1306 126 126 ILE CG2 C 14.693 0.100 1 1307 126 126 ILE CD1 C 12.323 0.100 1 1308 126 126 ILE N N 124.581 0.141 1 1309 127 127 ASN H H 8.460 0.007 1 1310 127 127 ASN HA H 4.510 0.007 1 1311 127 127 ASN HB2 H 2.772 0.007 2 1312 127 127 ASN HB3 H 2.912 0.007 2 1313 127 127 ASN HD21 H 7.592 0.007 2 1314 127 127 ASN HD22 H 6.908 0.007 2 1315 127 127 ASN CA C 52.066 0.100 1 1316 127 127 ASN CB C 34.765 0.100 1 1317 127 127 ASN N N 115.351 0.141 1 1318 127 127 ASN ND2 N 112.686 0.141 1 1319 128 128 GLU H H 7.991 0.007 1 1320 128 128 GLU HA H 4.580 0.007 1 1321 128 128 GLU HB2 H 2.344 0.007 2 1322 128 128 GLU HB3 H 1.817 0.007 2 1323 128 128 GLU HG2 H 2.217 0.007 1 1324 128 128 GLU HG3 H 2.217 0.007 1 1325 128 128 GLU CA C 53.200 0.100 1 1326 128 128 GLU CB C 27.574 0.100 1 1327 128 128 GLU CG C 33.364 0.100 1 1328 128 128 GLU N N 117.871 0.141 1 1329 129 129 LEU H H 7.673 0.007 1 1330 129 129 LEU HA H 3.929 0.007 1 1331 129 129 LEU HB2 H 1.659 0.007 2 1332 129 129 LEU HB3 H 1.124 0.007 2 1333 129 129 LEU HG H 1.179 0.007 1 1334 129 129 LEU HD1 H 0.538 0.007 2 1335 129 129 LEU HD2 H -0.130 0.007 2 1336 129 129 LEU CA C 56.888 0.100 1 1337 129 129 LEU CB C 38.579 0.100 1 1338 129 129 LEU CG C 24.094 0.100 1 1339 129 129 LEU CD1 C 20.507 0.100 2 1340 129 129 LEU CD2 C 22.089 0.100 2 1341 129 129 LEU N N 125.598 0.141 1 1342 130 130 GLU H H 8.632 0.007 1 1343 130 130 GLU HA H 3.805 0.007 1 1344 130 130 GLU HB2 H 1.933 0.007 1 1345 130 130 GLU HB3 H 1.933 0.007 1 1346 130 130 GLU HG2 H 2.193 0.007 2 1347 130 130 GLU HG3 H 2.161 0.007 2 1348 130 130 GLU CA C 57.956 0.100 1 1349 130 130 GLU CB C 25.754 0.100 1 1350 130 130 GLU CG C 33.983 0.100 1 1351 130 130 GLU N N 118.323 0.141 1 1352 131 131 GLU H H 8.391 0.007 1 1353 131 131 GLU HA H 4.003 0.007 1 1354 131 131 GLU HB2 H 2.083 0.007 2 1355 131 131 GLU HB3 H 1.973 0.007 2 1356 131 131 GLU HG2 H 2.249 0.007 2 1357 131 131 GLU HG3 H 2.358 0.007 2 1358 131 131 GLU CA C 56.386 0.100 1 1359 131 131 GLU CB C 26.260 0.100 1 1360 131 131 GLU CG C 33.538 0.100 1 1361 131 131 GLU N N 119.505 0.141 1 1362 132 132 THR H H 7.945 0.007 1 1363 132 132 THR HA H 4.446 0.007 1 1364 132 132 THR HB H 3.885 0.007 1 1365 132 132 THR HG2 H 1.200 0.007 1 1366 132 132 THR CA C 65.573 0.100 1 1367 132 132 THR CB C 65.206 0.100 1 1368 132 132 THR CG2 C 19.198 0.100 1 1369 132 132 THR N N 120.951 0.141 1 1370 133 133 ILE H H 8.329 0.007 1 1371 133 133 ILE HA H 3.497 0.007 1 1372 133 133 ILE HB H 1.758 0.007 1 1373 133 133 ILE HG12 H 1.782 0.007 2 1374 133 133 ILE HG13 H 0.909 0.007 2 1375 133 133 ILE HG2 H 0.754 0.007 1 1376 133 133 ILE HD1 H 0.582 0.007 1 1377 133 133 ILE CA C 62.995 0.100 1 1378 133 133 ILE CB C 35.865 0.100 1 1379 133 133 ILE CG1 C 26.856 0.100 1 1380 133 133 ILE CG2 C 14.838 0.100 1 1381 133 133 ILE CD1 C 12.615 0.100 1 1382 133 133 ILE N N 122.408 0.141 1 1383 134 134 GLN H H 7.688 0.007 1 1384 134 134 GLN HA H 3.833 0.007 1 1385 134 134 GLN HB2 H 2.059 0.007 1 1386 134 134 GLN HB3 H 2.059 0.007 1 1387 134 134 GLN HG2 H 2.331 0.007 2 1388 134 134 GLN HG3 H 2.396 0.007 2 1389 134 134 GLN HE21 H 6.576 0.007 2 1390 134 134 GLN HE22 H 7.275 0.007 2 1391 134 134 GLN CA C 56.392 0.100 1 1392 134 134 GLN CB C 25.301 0.100 1 1393 134 134 GLN CG C 31.387 0.100 1 1394 134 134 GLN N N 117.338 0.141 1 1395 134 134 GLN NE2 N 111.195 0.141 1 1396 135 135 ALA H H 7.638 0.007 1 1397 135 135 ALA HA H 4.047 0.007 1 1398 135 135 ALA HB H 1.529 0.007 1 1399 135 135 ALA CA C 52.691 0.100 1 1400 135 135 ALA CB C 15.340 0.100 1 1401 135 135 ALA N N 124.525 0.141 1 1402 136 136 VAL H H 7.975 0.007 1 1403 136 136 VAL HA H 2.608 0.007 1 1404 136 136 VAL HB H 1.821 0.007 1 1405 136 136 VAL HG1 H -0.712 0.007 2 1406 136 136 VAL HG2 H 0.289 0.007 2 1407 136 136 VAL CA C 63.846 0.100 1 1408 136 136 VAL CB C 28.638 0.100 1 1409 136 136 VAL CG1 C 17.478 0.100 2 1410 136 136 VAL CG2 C 18.234 0.100 2 1411 136 136 VAL N N 122.904 0.141 1 1412 137 137 GLN H H 8.297 0.007 1 1413 137 137 GLN HA H 3.927 0.007 1 1414 137 137 GLN HB2 H 2.084 0.007 1 1415 137 137 GLN HB3 H 2.084 0.007 1 1416 137 137 GLN HG2 H 2.532 0.007 1 1417 137 137 GLN HG3 H 2.505 0.007 2 1418 137 137 GLN HE21 H 7.307 0.007 2 1419 137 137 GLN HE22 H 7.048 0.007 2 1420 137 137 GLN CA C 55.968 0.100 1 1421 137 137 GLN CB C 24.495 0.100 1 1422 137 137 GLN CG C 30.876 0.100 1 1423 137 137 GLN N N 118.061 0.141 1 1424 137 137 GLN NE2 N 113.127 0.141 1 1425 138 138 GLU H H 8.024 0.007 1 1426 138 138 GLU HA H 4.045 0.007 1 1427 138 138 GLU HB2 H 2.143 0.007 2 1428 138 138 GLU HB3 H 2.100 0.007 2 1429 138 138 GLU HG2 H 2.345 0.007 1 1430 138 138 GLU HG3 H 2.345 0.007 1 1431 138 138 GLU CA C 56.867 0.100 1 1432 138 138 GLU CB C 26.541 0.100 1 1433 138 138 GLU CG C 33.345 0.100 1 1434 138 138 GLU N N 120.790 0.141 1 1435 139 139 GLU H H 7.658 0.007 1 1436 139 139 GLU HA H 4.182 0.007 1 1437 139 139 GLU HB2 H 2.182 0.007 1 1438 139 139 GLU HB3 H 2.182 0.007 1 1439 139 139 GLU HG2 H 2.429 0.007 2 1440 139 139 GLU HG3 H 2.571 0.007 2 1441 139 139 GLU CA C 56.721 0.100 1 1442 139 139 GLU CB C 25.841 0.100 1 1443 139 139 GLU CG C 33.209 0.100 1 1444 139 139 GLU N N 121.226 0.141 1 1445 140 140 ASN H H 8.755 0.007 1 1446 140 140 ASN HA H 4.458 0.007 1 1447 140 140 ASN HB2 H 3.153 0.007 2 1448 140 140 ASN HB3 H 2.978 0.007 2 1449 140 140 ASN HD21 H 7.856 0.007 2 1450 140 140 ASN HD22 H 7.064 0.007 2 1451 140 140 ASN CA C 52.297 0.100 1 1452 140 140 ASN CB C 34.807 0.100 1 1453 140 140 ASN N N 120.529 0.141 1 1454 140 140 ASN ND2 N 110.493 0.141 1 1455 141 141 LYS H H 8.062 0.007 1 1456 141 141 LYS HA H 4.064 0.007 1 1457 141 141 LYS HB2 H 1.913 0.007 1 1458 141 141 LYS HB3 H 1.913 0.007 1 1459 141 141 LYS HG2 H 1.616 0.007 2 1460 141 141 LYS HG3 H 1.420 0.007 2 1461 141 141 LYS HD2 H 1.657 0.007 1 1462 141 141 LYS HD3 H 1.657 0.007 1 1463 141 141 LYS HE2 H 2.888 0.007 1 1464 141 141 LYS HE3 H 2.888 0.007 1 1465 141 141 LYS CA C 56.993 0.100 1 1466 141 141 LYS CB C 29.629 0.100 1 1467 141 141 LYS CG C 22.475 0.100 1 1468 141 141 LYS CD C 26.900 0.100 1 1469 141 141 LYS CE C 39.544 0.100 1 1470 141 141 LYS N N 121.169 0.141 1 1471 142 142 ALA H H 7.142 0.007 1 1472 142 142 ALA HA H 4.168 0.007 1 1473 142 142 ALA HB H 1.522 0.007 1 1474 142 142 ALA CA C 52.204 0.100 1 1475 142 142 ALA CB C 15.449 0.100 1 1476 142 142 ALA N N 120.854 0.141 1 1477 143 143 PHE H H 7.812 0.007 1 1478 143 143 PHE HA H 4.181 0.007 1 1479 143 143 PHE HB2 H 3.437 0.007 2 1480 143 143 PHE HB3 H 3.197 0.007 2 1481 143 143 PHE HD1 H 7.097 0.007 3 1482 143 143 PHE HD2 H 7.097 0.007 3 1483 143 143 PHE CA C 58.667 0.100 1 1484 143 143 PHE CB C 36.480 0.100 1 1485 143 143 PHE CD2 C 130.119 0.100 3 1486 143 143 PHE N N 120.133 0.141 1 1487 144 144 GLU H H 8.969 0.007 1 1488 144 144 GLU HA H 3.785 0.007 1 1489 144 144 GLU HB2 H 2.087 0.007 2 1490 144 144 GLU HB3 H 2.124 0.007 2 1491 144 144 GLU HG2 H 2.518 0.007 2 1492 144 144 GLU HG3 H 2.265 0.007 2 1493 144 144 GLU CA C 56.663 0.100 1 1494 144 144 GLU CB C 27.140 0.100 1 1495 144 144 GLU CG C 34.422 0.100 1 1496 144 144 GLU N N 118.965 0.141 1 1497 145 145 GLU H H 7.533 0.007 1 1498 145 145 GLU HA H 3.916 0.007 1 1499 145 145 GLU HB2 H 2.071 0.007 2 1500 145 145 GLU HB3 H 1.943 0.007 2 1501 145 145 GLU HG2 H 2.356 0.007 2 1502 145 145 GLU HG3 H 2.189 0.007 2 1503 145 145 GLU CA C 56.276 0.100 1 1504 145 145 GLU CB C 27.198 0.100 1 1505 145 145 GLU CG C 33.461 0.100 1 1506 145 145 GLU N N 116.830 0.141 1 1507 146 146 LEU H H 6.790 0.007 1 1508 146 146 LEU HA H 4.031 0.007 1 1509 146 146 LEU HB2 H 1.174 0.007 2 1510 146 146 LEU HB3 H 0.666 0.007 2 1511 146 146 LEU HG H 1.261 0.007 1 1512 146 146 LEU HD1 H 0.660 0.007 2 1513 146 146 LEU HD2 H 0.724 0.007 2 1514 146 146 LEU CA C 52.862 0.100 1 1515 146 146 LEU CB C 40.904 0.100 1 1516 146 146 LEU CG C 24.211 0.100 1 1517 146 146 LEU CD1 C 20.444 0.100 2 1518 146 146 LEU CD2 C 22.267 0.100 2 1519 146 146 LEU N N 116.089 0.141 1 1520 147 147 HIS H H 8.189 0.007 1 1521 147 147 HIS HA H 5.004 0.007 1 1522 147 147 HIS HB2 H 2.616 0.007 2 1523 147 147 HIS HB3 H 2.382 0.007 2 1524 147 147 HIS HD2 H 5.973 0.007 1 1525 147 147 HIS CA C 48.853 0.100 1 1526 147 147 HIS CB C 25.848 0.100 1 1527 147 147 HIS CD2 C 118.641 0.100 1 1528 147 147 HIS CE1 C 133.583 0.100 1 1529 147 147 HIS N N 115.784 0.141 1 1530 148 148 PRO HA H 4.433 0.007 1 1531 148 148 PRO HB2 H 1.704 0.007 2 1532 148 148 PRO HB3 H 1.901 0.007 2 1533 148 148 PRO HG2 H 2.003 0.007 1 1534 148 148 PRO HG3 H 2.003 0.007 1 1535 148 148 PRO HD2 H 3.611 0.007 2 1536 148 148 PRO HD3 H 3.263 0.007 2 1537 148 148 PRO CA C 63.572 0.100 1 1538 148 148 PRO CB C 31.034 0.100 1 1539 148 148 PRO CG C 25.189 0.100 1 1540 148 148 PRO CD C 46.939 0.100 1 stop_ save_