data_11086 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CH domain of human microtubule-associated protein RP/EB family member 3 ; _BMRB_accession_number 11086 _BMRB_flat_file_name bmr11086.str _Entry_type original _Submission_date 2009-12-28 _Accession_date 2009-12-28 _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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 954 "13C chemical shifts" 711 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-04 original author . stop_ _Original_release_date 2011-01-04 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the CH domain of human microtubule-associated protein RP/EB family member 3 ; _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 Tomizawa T. . . 2 Kigawa T. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'Microtubule-associated protein RP/EB family member 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CH domain' $entity_1 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'CH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 159 _Mol_residue_sequence ; GSSGSSGMAVNVYSTSVTSE NLSRHDMLAWVNDSLHLNYT KIEQLCSGAAYCQFMDMLFP GCVHLRKVKFQAKLEHEYIH NFKVLQAAFKKMGVDKIIPV EKLVKGKFQDNFEFIQWFKK FFDANYDGKDYNPLLARQGQ DVAPPPNPGDQIFSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 ALA 10 VAL 11 ASN 12 VAL 13 TYR 14 SER 15 THR 16 SER 17 VAL 18 THR 19 SER 20 GLU 21 ASN 22 LEU 23 SER 24 ARG 25 HIS 26 ASP 27 MET 28 LEU 29 ALA 30 TRP 31 VAL 32 ASN 33 ASP 34 SER 35 LEU 36 HIS 37 LEU 38 ASN 39 TYR 40 THR 41 LYS 42 ILE 43 GLU 44 GLN 45 LEU 46 CYS 47 SER 48 GLY 49 ALA 50 ALA 51 TYR 52 CYS 53 GLN 54 PHE 55 MET 56 ASP 57 MET 58 LEU 59 PHE 60 PRO 61 GLY 62 CYS 63 VAL 64 HIS 65 LEU 66 ARG 67 LYS 68 VAL 69 LYS 70 PHE 71 GLN 72 ALA 73 LYS 74 LEU 75 GLU 76 HIS 77 GLU 78 TYR 79 ILE 80 HIS 81 ASN 82 PHE 83 LYS 84 VAL 85 LEU 86 GLN 87 ALA 88 ALA 89 PHE 90 LYS 91 LYS 92 MET 93 GLY 94 VAL 95 ASP 96 LYS 97 ILE 98 ILE 99 PRO 100 VAL 101 GLU 102 LYS 103 LEU 104 VAL 105 LYS 106 GLY 107 LYS 108 PHE 109 GLN 110 ASP 111 ASN 112 PHE 113 GLU 114 PHE 115 ILE 116 GLN 117 TRP 118 PHE 119 LYS 120 LYS 121 PHE 122 PHE 123 ASP 124 ALA 125 ASN 126 TYR 127 ASP 128 GLY 129 LYS 130 ASP 131 TYR 132 ASN 133 PRO 134 LEU 135 LEU 136 ALA 137 ARG 138 GLN 139 GLY 140 GLN 141 ASP 142 VAL 143 ALA 144 PRO 145 PRO 146 PRO 147 ASN 148 PRO 149 GLY 150 ASP 151 GLN 152 ILE 153 PHE 154 SER 155 GLY 156 PRO 157 SER 158 SER 159 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-20 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 1WYO "Solution Structure Of The Ch Domain Of Human Microtubule- Associated Protein RpEB FAMILY MEMBER 3" 100.00 159 100.00 100.00 1.96e-114 PDB 3CO1 "Crystal Structure Of Microtubule Binding Domain Of Human Eb3" 82.39 132 99.24 99.24 1.95e-91 PDB 3JAK "Cryo-em Structure Of Gtpgammas-microtubule Co-polymerized With Eb3 (merged Dataset With And Without Kinesin Bound)" 94.34 203 98.00 99.33 1.32e-105 PDB 3JAL "Cryo-em Structure Of Gmpcpp-microtubule Co-polymerized With Eb3" 94.34 203 98.00 99.33 1.32e-105 PDB 3JAR "Cryo-em Structure Of Gdp-microtubule Co-polymerized With Eb3" 94.34 203 98.00 99.33 1.32e-105 DBJ BAA82958 "EB3 protein [Homo sapiens]" 92.45 281 99.32 100.00 5.21e-104 DBJ BAE87811 "unnamed protein product [Macaca fascicularis]" 92.45 281 99.32 100.00 5.21e-104 DBJ BAE88276 "unnamed protein product [Macaca fascicularis]" 92.45 281 99.32 100.00 4.15e-104 DBJ BAE90157 "unnamed protein product [Macaca fascicularis]" 92.45 281 99.32 100.00 5.21e-104 DBJ BAG35263 "unnamed protein product [Homo sapiens]" 92.45 281 98.64 100.00 2.70e-103 EMBL CAA72060 "RP3 [Homo sapiens]" 92.45 198 97.28 97.96 1.11e-101 EMBL CAG38760 "MAPRE3 [Homo sapiens]" 92.45 281 99.32 100.00 2.48e-104 EMBL CAG46643 "MAPRE3 [Homo sapiens]" 92.45 281 99.32 100.00 5.21e-104 GB AAA96321 "APC-binding protein EB2 [Mus musculus]" 57.23 225 98.90 100.00 1.22e-57 GB AAH11557 "Microtubule-associated protein, RP/EB family, member 3 [Homo sapiens]" 92.45 281 99.32 100.00 5.21e-104 GB AAH57918 "Microtubule-associated protein, RP/EB family, member 3 [Mus musculus]" 92.45 281 99.32 100.00 4.78e-104 GB AAH83589 "Microtubule-associated protein, RP/EB family, member 3 [Rattus norvegicus]" 92.45 281 99.32 100.00 4.78e-104 GB AAK07556 "EBF3-L [Homo sapiens]" 93.08 283 99.32 100.00 1.38e-104 REF NP_001007657 "microtubule-associated protein RP/EB family member 3 [Rattus norvegicus]" 92.45 281 99.32 100.00 4.78e-104 REF NP_001271740 "uncharacterized protein LOC101925557 [Macaca fascicularis]" 92.45 281 99.32 100.00 4.15e-104 REF NP_001289979 "microtubule-associated protein RP/EB family member 3 [Homo sapiens]" 92.45 281 99.32 100.00 5.21e-104 REF NP_036458 "microtubule-associated protein RP/EB family member 3 [Homo sapiens]" 92.45 281 99.32 100.00 5.21e-104 REF NP_579928 "microtubule-associated protein RP/EB family member 3 isoform 1 [Mus musculus]" 92.45 281 99.32 100.00 4.78e-104 SP Q5XIT1 "RecName: Full=Microtubule-associated protein RP/EB family member 3; AltName: Full=EB1 protein family member 3; Short=EBF3; AltN" 92.45 281 99.32 100.00 4.78e-104 SP Q6PER3 "RecName: Full=Microtubule-associated protein RP/EB family member 3; AltName: Full=EB1 protein family member 3; Short=EBF3; AltN" 92.45 281 99.32 100.00 4.78e-104 SP Q9UPY8 "RecName: Full=Microtubule-associated protein RP/EB family member 3; AltName: Full=EB1 protein family member 3; Short=EBF3; AltN" 92.45 281 99.32 100.00 5.21e-104 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_1 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 $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P040621-06 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.28mM CH domain [U-15N,13C], 20mM d-Tris-HCl(pH 7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.28 mM '[U-100% 13C; U-100% 15N]' TRIS 20 mM '[U-100% 2H]' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM '[U-100% 2H]' 'sodium azide' 0.02 % 'natural abundance' D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRview _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9295 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 296 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRview $Kujira $CYANA stop_ loop_ _Experiment_label '3D 1H-15N-separated NOESY' '3D 1H-13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'CH domain' _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 3.792 0.030 1 2 1 1 GLY HA3 H 3.792 0.030 1 3 1 1 GLY CA C 41.256 0.300 1 4 4 4 GLY HA2 H 3.945 0.030 1 5 4 4 GLY HA3 H 3.945 0.030 1 6 4 4 GLY CA C 43.110 0.300 1 7 5 5 SER H H 7.774 0.030 1 8 6 6 SER HA H 4.387 0.030 1 9 6 6 SER HB2 H 3.833 0.030 1 10 6 6 SER HB3 H 3.833 0.030 1 11 6 6 SER C C 172.584 0.300 1 12 6 6 SER CA C 56.499 0.300 1 13 6 6 SER CB C 61.635 0.300 1 14 7 7 GLY H H 8.328 0.030 1 15 7 7 GLY HA2 H 3.859 0.030 1 16 7 7 GLY HA3 H 3.859 0.030 1 17 7 7 GLY C C 170.993 0.300 1 18 7 7 GLY CA C 43.040 0.300 1 19 7 7 GLY N N 110.246 0.300 1 20 8 8 MET H H 7.773 0.030 1 21 8 8 MET HA H 4.429 0.030 1 22 8 8 MET HB2 H 2.028 0.030 2 23 8 8 MET HB3 H 1.813 0.030 2 24 8 8 MET HE H 1.996 0.030 1 25 8 8 MET HG2 H 2.515 0.030 2 26 8 8 MET HG3 H 2.338 0.030 2 27 8 8 MET C C 173.357 0.300 1 28 8 8 MET CA C 51.865 0.300 1 29 8 8 MET CB C 31.863 0.300 1 30 8 8 MET CE C 15.095 0.300 1 31 8 8 MET CG C 29.929 0.300 1 32 8 8 MET N N 117.620 0.300 1 33 9 9 ALA H H 8.179 0.030 1 34 9 9 ALA HA H 4.083 0.030 1 35 9 9 ALA HB H 1.069 0.030 1 36 9 9 ALA C C 174.457 0.300 1 37 9 9 ALA CA C 49.713 0.300 1 38 9 9 ALA CB C 18.069 0.300 1 39 9 9 ALA N N 121.747 0.300 1 40 10 10 VAL H H 9.363 0.030 1 41 10 10 VAL HA H 3.871 0.030 1 42 10 10 VAL HB H 1.594 0.030 1 43 10 10 VAL HG1 H 0.834 0.030 1 44 10 10 VAL HG2 H 0.760 0.030 1 45 10 10 VAL C C 173.781 0.300 1 46 10 10 VAL CA C 60.378 0.300 1 47 10 10 VAL CB C 29.768 0.300 1 48 10 10 VAL CG1 C 18.858 0.300 2 49 10 10 VAL CG2 C 18.804 0.300 2 50 10 10 VAL N N 122.292 0.300 1 51 11 11 ASN H H 8.357 0.030 1 52 11 11 ASN HA H 4.784 0.030 1 53 11 11 ASN HB2 H 2.574 0.030 2 54 11 11 ASN HB3 H 2.230 0.030 2 55 11 11 ASN HD21 H 7.138 0.030 2 56 11 11 ASN HD22 H 7.658 0.030 2 57 11 11 ASN C C 172.448 0.300 1 58 11 11 ASN CA C 51.346 0.300 1 59 11 11 ASN CB C 38.930 0.300 1 60 11 11 ASN N N 123.112 0.300 1 61 11 11 ASN ND2 N 114.694 0.300 1 62 12 12 VAL H H 8.704 0.030 1 63 12 12 VAL HA H 4.091 0.030 1 64 12 12 VAL HB H 1.681 0.030 1 65 12 12 VAL HG1 H 0.630 0.030 1 66 12 12 VAL HG2 H 0.514 0.030 1 67 12 12 VAL C C 172.561 0.300 1 68 12 12 VAL CA C 58.761 0.300 1 69 12 12 VAL CB C 32.524 0.300 1 70 12 12 VAL CG1 C 19.131 0.300 2 71 12 12 VAL CG2 C 17.736 0.300 2 72 12 12 VAL N N 117.140 0.300 1 73 13 13 TYR H H 8.647 0.030 1 74 13 13 TYR HA H 4.709 0.030 1 75 13 13 TYR HB2 H 3.161 0.030 2 76 13 13 TYR HB3 H 2.634 0.030 2 77 13 13 TYR HD1 H 7.024 0.030 1 78 13 13 TYR HD2 H 7.024 0.030 1 79 13 13 TYR HE1 H 6.703 0.030 1 80 13 13 TYR HE2 H 6.703 0.030 1 81 13 13 TYR C C 173.807 0.300 1 82 13 13 TYR CA C 54.923 0.300 1 83 13 13 TYR CB C 37.812 0.300 1 84 13 13 TYR CD1 C 131.006 0.300 1 85 13 13 TYR CD2 C 131.006 0.300 1 86 13 13 TYR CE1 C 115.768 0.300 1 87 13 13 TYR CE2 C 115.768 0.300 1 88 13 13 TYR N N 124.134 0.300 1 89 14 14 SER H H 8.089 0.030 1 90 14 14 SER HA H 4.695 0.030 1 91 14 14 SER HB2 H 3.818 0.030 1 92 14 14 SER HB3 H 3.818 0.030 1 93 14 14 SER CB C 61.194 0.300 1 94 15 15 THR HA H 4.358 0.030 1 95 15 15 THR HB H 4.296 0.030 1 96 15 15 THR HG2 H 1.116 0.030 1 97 15 15 THR CA C 58.967 0.300 1 98 15 15 THR CB C 67.442 0.300 1 99 15 15 THR CG2 C 19.385 0.300 1 100 16 16 SER H H 8.363 0.030 1 101 16 16 SER HA H 4.391 0.030 1 102 16 16 SER HB2 H 3.831 0.030 2 103 16 16 SER CA C 56.511 0.300 1 104 16 16 SER CB C 61.581 0.300 1 105 17 17 VAL H H 8.087 0.030 1 106 17 17 VAL HA H 4.091 0.030 1 107 17 17 VAL HB H 2.001 0.030 1 108 17 17 VAL HG1 H 0.835 0.030 1 109 17 17 VAL HG2 H 0.845 0.030 1 110 17 17 VAL CA C 60.283 0.300 1 111 17 17 VAL CB C 29.950 0.300 1 112 17 17 VAL CG1 C 18.933 0.300 2 113 17 17 VAL CG2 C 18.187 0.300 2 114 17 17 VAL N N 121.500 0.300 1 115 18 18 THR H H 8.142 0.030 1 116 18 18 THR HA H 4.296 0.030 1 117 18 18 THR HB H 4.200 0.030 1 118 18 18 THR HG2 H 1.074 0.030 1 119 18 18 THR CA C 59.363 0.300 1 120 18 18 THR CB C 67.639 0.300 1 121 18 18 THR CG2 C 19.216 0.300 1 122 18 18 THR N N 116.923 0.300 1 123 19 19 SER H H 8.127 0.030 1 124 19 19 SER HA H 4.302 0.030 1 125 19 19 SER HB2 H 3.770 0.030 1 126 19 19 SER HB3 H 3.770 0.030 1 127 19 19 SER C C 171.925 0.300 1 128 19 19 SER CA C 56.328 0.300 1 129 19 19 SER CB C 61.347 0.300 1 130 19 19 SER N N 116.825 0.300 1 131 20 20 GLU H H 8.184 0.030 1 132 20 20 GLU HA H 4.144 0.030 1 133 20 20 GLU HB2 H 1.773 0.030 2 134 20 20 GLU HB3 H 1.926 0.030 2 135 20 20 GLU HG2 H 2.126 0.030 1 136 20 20 GLU HG3 H 2.126 0.030 1 137 20 20 GLU C C 173.781 0.300 1 138 20 20 GLU CA C 54.023 0.300 1 139 20 20 GLU CB C 27.739 0.300 1 140 20 20 GLU CG C 33.925 0.300 1 141 20 20 GLU N N 121.010 0.300 1 142 21 21 ASN H H 8.227 0.030 1 143 21 21 ASN HA H 4.447 0.030 1 144 21 21 ASN HB2 H 2.539 0.030 2 145 21 21 ASN HB3 H 2.586 0.030 2 146 21 21 ASN HD21 H 6.831 0.030 2 147 21 21 ASN HD22 H 7.458 0.030 2 148 21 21 ASN C C 172.874 0.300 1 149 21 21 ASN CA C 50.746 0.300 1 150 21 21 ASN CB C 36.571 0.300 1 151 21 21 ASN N N 120.254 0.300 1 152 21 21 ASN ND2 N 111.380 0.300 1 153 22 22 LEU H H 8.108 0.030 1 154 22 22 LEU HA H 4.522 0.030 1 155 22 22 LEU HB2 H 1.560 0.030 2 156 22 22 LEU HB3 H 1.522 0.030 2 157 22 22 LEU HD1 H 0.712 0.030 1 158 22 22 LEU HD2 H 0.718 0.030 1 159 22 22 LEU HG H 1.615 0.030 1 160 22 22 LEU C C 175.540 0.300 1 161 22 22 LEU CA C 52.399 0.300 1 162 22 22 LEU CB C 41.319 0.300 1 163 22 22 LEU CD1 C 22.992 0.300 2 164 22 22 LEU CD2 C 21.436 0.300 2 165 22 22 LEU CG C 25.456 0.300 1 166 22 22 LEU N N 121.865 0.300 1 167 23 23 SER H H 9.170 0.030 1 168 23 23 SER HA H 4.568 0.030 1 169 23 23 SER HB2 H 4.317 0.030 2 170 23 23 SER HB3 H 4.117 0.030 2 171 23 23 SER C C 172.940 0.300 1 172 23 23 SER CA C 55.100 0.300 1 173 23 23 SER CB C 63.130 0.300 1 174 23 23 SER N N 117.420 0.300 1 175 24 24 ARG H H 9.176 0.030 1 176 24 24 ARG HA H 4.007 0.030 1 177 24 24 ARG HB2 H 1.797 0.030 2 178 24 24 ARG HB3 H 1.677 0.030 2 179 24 24 ARG HD2 H 2.929 0.030 2 180 24 24 ARG HD3 H 3.031 0.030 2 181 24 24 ARG HG2 H 1.333 0.030 2 182 24 24 ARG HG3 H 1.428 0.030 2 183 24 24 ARG C C 174.680 0.300 1 184 24 24 ARG CA C 57.796 0.300 1 185 24 24 ARG CB C 27.124 0.300 1 186 24 24 ARG CD C 41.344 0.300 1 187 24 24 ARG CG C 23.581 0.300 1 188 24 24 ARG N N 120.337 0.300 1 189 25 25 HIS H H 7.841 0.030 1 190 25 25 HIS HA H 4.220 0.030 1 191 25 25 HIS HB2 H 3.044 0.030 1 192 25 25 HIS HB3 H 3.044 0.030 1 193 25 25 HIS HD2 H 7.050 0.030 1 194 25 25 HIS HE1 H 7.802 0.030 1 195 25 25 HIS C C 175.995 0.300 1 196 25 25 HIS CA C 57.026 0.300 1 197 25 25 HIS CB C 27.952 0.300 1 198 25 25 HIS CD2 C 117.899 0.300 1 199 25 25 HIS CE1 C 136.388 0.300 1 200 25 25 HIS N N 117.021 0.300 1 201 26 26 ASP H H 7.880 0.030 1 202 26 26 ASP HA H 4.437 0.030 1 203 26 26 ASP HB2 H 2.621 0.030 2 204 26 26 ASP HB3 H 2.743 0.030 2 205 26 26 ASP C C 176.936 0.300 1 206 26 26 ASP CA C 54.831 0.300 1 207 26 26 ASP CB C 37.964 0.300 1 208 26 26 ASP N N 121.014 0.300 1 209 27 27 MET H H 8.745 0.030 1 210 27 27 MET HA H 4.510 0.030 1 211 27 27 MET HB2 H 2.177 0.030 1 212 27 27 MET HB3 H 2.177 0.030 1 213 27 27 MET HE H 1.743 0.030 1 214 27 27 MET HG2 H 2.447 0.030 1 215 27 27 MET HG3 H 2.447 0.030 1 216 27 27 MET C C 175.688 0.300 1 217 27 27 MET CA C 55.507 0.300 1 218 27 27 MET CB C 30.187 0.300 1 219 27 27 MET CE C 16.817 0.300 1 220 27 27 MET CG C 30.992 0.300 1 221 27 27 MET N N 120.871 0.300 1 222 28 28 LEU H H 7.991 0.030 1 223 28 28 LEU HA H 3.856 0.030 1 224 28 28 LEU HB2 H 1.653 0.030 2 225 28 28 LEU HB3 H 1.406 0.030 2 226 28 28 LEU HD1 H 0.618 0.030 1 227 28 28 LEU HD2 H 0.568 0.030 1 228 28 28 LEU HG H 1.585 0.030 1 229 28 28 LEU C C 175.469 0.300 1 230 28 28 LEU CA C 55.577 0.300 1 231 28 28 LEU CB C 39.438 0.300 1 232 28 28 LEU CD1 C 22.707 0.300 2 233 28 28 LEU CD2 C 21.388 0.300 2 234 28 28 LEU CG C 24.271 0.300 1 235 28 28 LEU N N 118.787 0.300 1 236 29 29 ALA H H 7.776 0.030 1 237 29 29 ALA HA H 4.017 0.030 1 238 29 29 ALA HB H 1.395 0.030 1 239 29 29 ALA C C 176.678 0.300 1 240 29 29 ALA CA C 52.942 0.300 1 241 29 29 ALA CB C 15.465 0.300 1 242 29 29 ALA N N 119.323 0.300 1 243 30 30 TRP H H 7.660 0.030 1 244 30 30 TRP HA H 4.370 0.030 1 245 30 30 TRP HB2 H 3.184 0.030 2 246 30 30 TRP HB3 H 3.529 0.030 2 247 30 30 TRP HD1 H 7.112 0.030 1 248 30 30 TRP HE1 H 8.707 0.030 1 249 30 30 TRP HE3 H 7.463 0.030 1 250 30 30 TRP HH2 H 5.666 0.030 1 251 30 30 TRP HZ2 H 4.899 0.030 1 252 30 30 TRP HZ3 H 6.503 0.030 1 253 30 30 TRP C C 176.841 0.300 1 254 30 30 TRP CA C 58.978 0.300 1 255 30 30 TRP CB C 24.206 0.300 1 256 30 30 TRP CD1 C 124.057 0.300 1 257 30 30 TRP CE3 C 118.418 0.300 1 258 30 30 TRP CH2 C 120.768 0.300 1 259 30 30 TRP CZ2 C 112.300 0.300 1 260 30 30 TRP CZ3 C 118.671 0.300 1 261 30 30 TRP N N 118.067 0.300 1 262 30 30 TRP NE1 N 127.844 0.300 1 263 31 31 VAL H H 7.965 0.030 1 264 31 31 VAL HA H 2.703 0.030 1 265 31 31 VAL HB H 1.998 0.030 1 266 31 31 VAL HG1 H 0.499 0.030 1 267 31 31 VAL HG2 H 1.012 0.030 1 268 31 31 VAL C C 174.506 0.300 1 269 31 31 VAL CA C 64.596 0.300 1 270 31 31 VAL CB C 29.588 0.300 1 271 31 31 VAL CG1 C 19.120 0.300 2 272 31 31 VAL CG2 C 20.880 0.300 2 273 31 31 VAL N N 121.543 0.300 1 274 32 32 ASN H H 8.400 0.030 1 275 32 32 ASN HA H 3.914 0.030 1 276 32 32 ASN HB2 H 2.659 0.030 2 277 32 32 ASN HB3 H 2.551 0.030 2 278 32 32 ASN HD21 H 7.530 0.030 2 279 32 32 ASN HD22 H 6.971 0.030 2 280 32 32 ASN C C 176.865 0.300 1 281 32 32 ASN CA C 53.417 0.300 1 282 32 32 ASN CB C 35.079 0.300 1 283 32 32 ASN N N 117.372 0.300 1 284 32 32 ASN ND2 N 106.613 0.300 1 285 33 33 ASP H H 8.861 0.030 1 286 33 33 ASP HA H 4.261 0.030 1 287 33 33 ASP HB2 H 2.727 0.030 2 288 33 33 ASP HB3 H 2.507 0.030 2 289 33 33 ASP C C 176.481 0.300 1 290 33 33 ASP CA C 54.472 0.300 1 291 33 33 ASP CB C 38.360 0.300 1 292 33 33 ASP N N 119.344 0.300 1 293 34 34 SER H H 7.588 0.030 1 294 34 34 SER HA H 4.048 0.030 1 295 34 34 SER HB2 H 3.358 0.030 2 296 34 34 SER HB3 H 3.237 0.030 2 297 34 34 SER C C 172.644 0.300 1 298 34 34 SER CA C 59.620 0.300 1 299 34 34 SER CB C 61.247 0.300 1 300 34 34 SER N N 112.622 0.300 1 301 35 35 LEU H H 7.221 0.030 1 302 35 35 LEU HA H 4.178 0.030 1 303 35 35 LEU HB2 H 1.156 0.030 2 304 35 35 LEU HB3 H 0.809 0.030 2 305 35 35 LEU HD1 H -0.343 0.030 1 306 35 35 LEU HD2 H 0.083 0.030 1 307 35 35 LEU HG H 0.492 0.030 1 308 35 35 LEU C C 174.029 0.300 1 309 35 35 LEU CA C 50.819 0.300 1 310 35 35 LEU CB C 40.001 0.300 1 311 35 35 LEU CD1 C 23.941 0.300 2 312 35 35 LEU CD2 C 19.747 0.300 2 313 35 35 LEU CG C 23.880 0.300 1 314 35 35 LEU N N 112.946 0.300 1 315 36 36 HIS H H 7.839 0.030 1 316 36 36 HIS HA H 4.327 0.030 1 317 36 36 HIS HB2 H 3.211 0.030 2 318 36 36 HIS HB3 H 2.911 0.030 2 319 36 36 HIS HD2 H 6.840 0.030 1 320 36 36 HIS HE1 H 8.128 0.030 1 321 36 36 HIS C C 172.017 0.300 1 322 36 36 HIS CA C 54.032 0.300 1 323 36 36 HIS CB C 24.444 0.300 1 324 36 36 HIS CD2 C 117.122 0.300 1 325 36 36 HIS CE1 C 134.589 0.300 1 326 36 36 HIS N N 121.000 0.300 1 327 37 37 LEU H H 7.479 0.030 1 328 37 37 LEU HA H 4.277 0.030 1 329 37 37 LEU HB2 H 1.013 0.030 2 330 37 37 LEU HB3 H 0.684 0.030 2 331 37 37 LEU HD1 H 0.511 0.030 1 332 37 37 LEU HD2 H 0.125 0.030 1 333 37 37 LEU HG H 0.889 0.030 1 334 37 37 LEU C C 172.910 0.300 1 335 37 37 LEU CA C 50.839 0.300 1 336 37 37 LEU CB C 42.167 0.300 1 337 37 37 LEU CD1 C 19.691 0.300 2 338 37 37 LEU CD2 C 23.096 0.300 2 339 37 37 LEU CG C 23.489 0.300 1 340 37 37 LEU N N 118.489 0.300 1 341 38 38 ASN H H 7.691 0.030 1 342 38 38 ASN HA H 4.539 0.030 1 343 38 38 ASN HB2 H 2.625 0.030 2 344 38 38 ASN HB3 H 2.411 0.030 2 345 38 38 ASN HD21 H 6.600 0.030 2 346 38 38 ASN HD22 H 7.368 0.030 2 347 38 38 ASN C C 173.481 0.300 1 348 38 38 ASN CA C 49.829 0.300 1 349 38 38 ASN CB C 36.212 0.300 1 350 38 38 ASN N N 117.466 0.300 1 351 38 38 ASN ND2 N 111.692 0.300 1 352 39 39 TYR H H 8.954 0.030 1 353 39 39 TYR HA H 4.728 0.030 1 354 39 39 TYR HB2 H 2.950 0.030 1 355 39 39 TYR HB3 H 2.950 0.030 1 356 39 39 TYR HD1 H 6.723 0.030 1 357 39 39 TYR HD2 H 6.723 0.030 1 358 39 39 TYR HE1 H 6.458 0.030 1 359 39 39 TYR HE2 H 6.458 0.030 1 360 39 39 TYR C C 175.827 0.300 1 361 39 39 TYR CA C 53.879 0.300 1 362 39 39 TYR CB C 34.900 0.300 1 363 39 39 TYR CD1 C 128.386 0.300 1 364 39 39 TYR CD2 C 128.386 0.300 1 365 39 39 TYR CE1 C 115.374 0.300 1 366 39 39 TYR CE2 C 115.374 0.300 1 367 39 39 TYR N N 120.856 0.300 1 368 40 40 THR H H 9.517 0.030 1 369 40 40 THR HA H 4.364 0.030 1 370 40 40 THR HB H 4.298 0.030 1 371 40 40 THR HG2 H 1.132 0.030 1 372 40 40 THR C C 172.447 0.300 1 373 40 40 THR CA C 58.982 0.300 1 374 40 40 THR CB C 67.986 0.300 1 375 40 40 THR CG2 C 19.743 0.300 1 376 40 40 THR N N 110.830 0.300 1 377 41 41 LYS H H 8.074 0.030 1 378 41 41 LYS HA H 4.757 0.030 1 379 41 41 LYS HB2 H 2.177 0.030 2 380 41 41 LYS HB3 H 1.594 0.030 2 381 41 41 LYS HD2 H 1.538 0.030 1 382 41 41 LYS HD3 H 1.538 0.030 1 383 41 41 LYS HE2 H 2.807 0.030 1 384 41 41 LYS HE3 H 2.807 0.030 1 385 41 41 LYS HG2 H 1.321 0.030 1 386 41 41 LYS HG3 H 1.321 0.030 1 387 41 41 LYS C C 174.056 0.300 1 388 41 41 LYS CA C 53.013 0.300 1 389 41 41 LYS CB C 33.238 0.300 1 390 41 41 LYS CD C 27.023 0.300 1 391 41 41 LYS CE C 39.873 0.300 1 392 41 41 LYS CG C 22.253 0.300 1 393 41 41 LYS N N 121.515 0.300 1 394 42 42 ILE H H 9.351 0.030 1 395 42 42 ILE HA H 3.732 0.030 1 396 42 42 ILE HB H 2.214 0.030 1 397 42 42 ILE HD1 H 0.923 0.030 1 398 42 42 ILE HG12 H 1.545 0.030 2 399 42 42 ILE HG13 H 1.795 0.030 2 400 42 42 ILE HG2 H 0.668 0.030 1 401 42 42 ILE C C 174.781 0.300 1 402 42 42 ILE CA C 58.642 0.300 1 403 42 42 ILE CB C 33.668 0.300 1 404 42 42 ILE CD1 C 7.240 0.300 1 405 42 42 ILE CG1 C 25.892 0.300 1 406 42 42 ILE CG2 C 14.994 0.300 1 407 42 42 ILE N N 125.780 0.300 1 408 43 43 GLU H H 11.211 0.030 1 409 43 43 GLU HA H 3.373 0.030 1 410 43 43 GLU HB2 H 1.862 0.030 2 411 43 43 GLU HB3 H 1.663 0.030 2 412 43 43 GLU HG2 H 2.651 0.030 2 413 43 43 GLU HG3 H 1.891 0.030 2 414 43 43 GLU C C 175.870 0.300 1 415 43 43 GLU CA C 59.256 0.300 1 416 43 43 GLU CB C 26.729 0.300 1 417 43 43 GLU CG C 36.415 0.300 1 418 43 43 GLU N N 118.571 0.300 1 419 44 44 GLN H H 7.413 0.030 1 420 44 44 GLN HA H 3.719 0.030 1 421 44 44 GLN HB2 H 1.651 0.030 2 422 44 44 GLN HB3 H 0.983 0.030 2 423 44 44 GLN HE21 H 7.049 0.030 2 424 44 44 GLN HE22 H 7.561 0.030 2 425 44 44 GLN HG2 H 2.163 0.030 2 426 44 44 GLN HG3 H 1.991 0.030 2 427 44 44 GLN C C 174.814 0.300 1 428 44 44 GLN CA C 56.287 0.300 1 429 44 44 GLN CB C 25.893 0.300 1 430 44 44 GLN CG C 34.496 0.300 1 431 44 44 GLN N N 116.835 0.300 1 432 44 44 GLN NE2 N 111.403 0.300 1 433 45 45 LEU H H 7.850 0.030 1 434 45 45 LEU HA H 4.017 0.030 1 435 45 45 LEU HB2 H 2.034 0.030 2 436 45 45 LEU HB3 H 1.712 0.030 2 437 45 45 LEU HD1 H 0.961 0.030 1 438 45 45 LEU HD2 H 0.649 0.030 1 439 45 45 LEU HG H 1.669 0.030 1 440 45 45 LEU C C 175.193 0.300 1 441 45 45 LEU CA C 53.826 0.300 1 442 45 45 LEU CB C 38.150 0.300 1 443 45 45 LEU CD1 C 23.303 0.300 2 444 45 45 LEU CD2 C 21.313 0.300 2 445 45 45 LEU CG C 26.130 0.300 1 446 45 45 LEU N N 118.927 0.300 1 447 46 46 CYS H H 7.564 0.030 1 448 46 46 CYS HA H 4.239 0.030 1 449 46 46 CYS HB2 H 3.516 0.030 2 450 46 46 CYS HB3 H 2.578 0.030 2 451 46 46 CYS C C 170.112 0.300 1 452 46 46 CYS CA C 57.045 0.300 1 453 46 46 CYS CB C 25.950 0.300 1 454 46 46 CYS N N 116.402 0.300 1 455 47 47 SER H H 6.446 0.030 1 456 47 47 SER HA H 3.713 0.030 1 457 47 47 SER HB2 H 3.352 0.030 2 458 47 47 SER HB3 H 3.846 0.030 2 459 47 47 SER C C 173.860 0.300 1 460 47 47 SER CA C 53.830 0.300 1 461 47 47 SER CB C 63.533 0.300 1 462 47 47 SER N N 111.327 0.300 1 463 48 48 GLY H H 7.371 0.030 1 464 48 48 GLY HA2 H 2.789 0.030 1 465 48 48 GLY HA3 H 2.789 0.030 1 466 48 48 GLY C C 170.859 0.300 1 467 48 48 GLY CA C 44.432 0.300 1 468 48 48 GLY N N 108.309 0.300 1 469 49 49 ALA H H 6.619 0.030 1 470 49 49 ALA HA H 3.267 0.030 1 471 49 49 ALA HB H 0.885 0.030 1 472 49 49 ALA C C 176.082 0.300 1 473 49 49 ALA CA C 53.259 0.300 1 474 49 49 ALA CB C 16.559 0.300 1 475 49 49 ALA N N 121.998 0.300 1 476 50 50 ALA H H 7.997 0.030 1 477 50 50 ALA HA H 3.610 0.030 1 478 50 50 ALA HB H 0.839 0.030 1 479 50 50 ALA C C 176.704 0.300 1 480 50 50 ALA CA C 52.730 0.300 1 481 50 50 ALA CB C 13.828 0.300 1 482 50 50 ALA N N 118.491 0.300 1 483 51 51 TYR H H 7.531 0.030 1 484 51 51 TYR HA H 4.036 0.030 1 485 51 51 TYR HB2 H 2.890 0.030 2 486 51 51 TYR HB3 H 2.435 0.030 2 487 51 51 TYR HD1 H 6.146 0.030 1 488 51 51 TYR HD2 H 6.146 0.030 1 489 51 51 TYR HE1 H 6.641 0.030 1 490 51 51 TYR HE2 H 6.641 0.030 1 491 51 51 TYR C C 175.914 0.300 1 492 51 51 TYR CA C 59.569 0.300 1 493 51 51 TYR CB C 36.954 0.300 1 494 51 51 TYR CD1 C 129.473 0.300 1 495 51 51 TYR CD2 C 129.473 0.300 1 496 51 51 TYR CE1 C 115.622 0.300 1 497 51 51 TYR CE2 C 115.622 0.300 1 498 51 51 TYR N N 113.582 0.300 1 499 52 52 CYS H H 7.271 0.030 1 500 52 52 CYS HA H 3.811 0.030 1 501 52 52 CYS HB2 H 3.046 0.030 2 502 52 52 CYS HB3 H 2.036 0.030 2 503 52 52 CYS C C 174.061 0.300 1 504 52 52 CYS CA C 62.772 0.300 1 505 52 52 CYS CB C 25.582 0.300 1 506 52 52 CYS N N 113.968 0.300 1 507 53 53 GLN H H 7.784 0.030 1 508 53 53 GLN HA H 3.977 0.030 1 509 53 53 GLN HB2 H 1.962 0.030 2 510 53 53 GLN HB3 H 1.887 0.030 2 511 53 53 GLN HE21 H 7.230 0.030 2 512 53 53 GLN HE22 H 7.146 0.030 2 513 53 53 GLN HG2 H 2.535 0.030 1 514 53 53 GLN HG3 H 2.535 0.030 1 515 53 53 GLN C C 176.057 0.300 1 516 53 53 GLN CA C 57.960 0.300 1 517 53 53 GLN CB C 24.803 0.300 1 518 53 53 GLN CG C 33.691 0.300 1 519 53 53 GLN N N 117.809 0.300 1 520 53 53 GLN NE2 N 108.973 0.300 1 521 54 54 PHE H H 9.071 0.030 1 522 54 54 PHE HA H 4.370 0.030 1 523 54 54 PHE HB2 H 3.429 0.030 2 524 54 54 PHE HB3 H 3.364 0.030 2 525 54 54 PHE HD1 H 6.891 0.030 1 526 54 54 PHE HD2 H 6.891 0.030 1 527 54 54 PHE HE1 H 6.182 0.030 1 528 54 54 PHE HE2 H 6.182 0.030 1 529 54 54 PHE HZ H 5.426 0.030 1 530 54 54 PHE C C 176.792 0.300 1 531 54 54 PHE CA C 59.715 0.300 1 532 54 54 PHE CB C 37.956 0.300 1 533 54 54 PHE CD1 C 128.966 0.300 1 534 54 54 PHE CD2 C 128.966 0.300 1 535 54 54 PHE CE1 C 127.446 0.300 1 536 54 54 PHE CE2 C 127.446 0.300 1 537 54 54 PHE CZ C 127.401 0.300 1 538 54 54 PHE N N 118.997 0.300 1 539 55 55 MET H H 7.867 0.030 1 540 55 55 MET HA H 4.780 0.030 1 541 55 55 MET HB2 H 2.481 0.030 2 542 55 55 MET HB3 H 2.273 0.030 2 543 55 55 MET HE H 2.330 0.030 1 544 55 55 MET HG2 H 2.808 0.030 2 545 55 55 MET HG3 H 3.197 0.030 2 546 55 55 MET C C 175.175 0.300 1 547 55 55 MET CA C 54.675 0.300 1 548 55 55 MET CB C 27.485 0.300 1 549 55 55 MET CE C 15.018 0.300 1 550 55 55 MET CG C 32.149 0.300 1 551 55 55 MET N N 114.919 0.300 1 552 56 56 ASP H H 7.277 0.030 1 553 56 56 ASP HA H 4.470 0.030 1 554 56 56 ASP HB2 H 3.117 0.030 2 555 56 56 ASP HB3 H 2.465 0.030 2 556 56 56 ASP C C 173.210 0.300 1 557 56 56 ASP CA C 55.153 0.300 1 558 56 56 ASP CB C 40.810 0.300 1 559 56 56 ASP N N 120.563 0.300 1 560 57 57 MET H H 7.453 0.030 1 561 57 57 MET HA H 3.160 0.030 1 562 57 57 MET HB2 H 1.971 0.030 2 563 57 57 MET HB3 H 1.156 0.030 2 564 57 57 MET HE H 1.947 0.030 1 565 57 57 MET HG2 H 1.873 0.030 2 566 57 57 MET HG3 H 1.844 0.030 2 567 57 57 MET C C 175.267 0.300 1 568 57 57 MET CA C 56.450 0.300 1 569 57 57 MET CB C 30.720 0.300 1 570 57 57 MET CE C 15.082 0.300 1 571 57 57 MET CG C 29.161 0.300 1 572 57 57 MET N N 115.363 0.300 1 573 58 58 LEU H H 7.833 0.030 1 574 58 58 LEU HA H 3.645 0.030 1 575 58 58 LEU HB2 H 1.572 0.030 2 576 58 58 LEU HB3 H -0.295 0.030 2 577 58 58 LEU HD1 H 0.602 0.030 1 578 58 58 LEU HD2 H -0.106 0.030 1 579 58 58 LEU HG H 1.644 0.030 1 580 58 58 LEU C C 175.184 0.300 1 581 58 58 LEU CA C 54.445 0.300 1 582 58 58 LEU CB C 42.091 0.300 1 583 58 58 LEU CD1 C 24.040 0.300 2 584 58 58 LEU CD2 C 20.926 0.300 2 585 58 58 LEU CG C 23.591 0.300 1 586 58 58 LEU N N 116.245 0.300 1 587 59 59 PHE H H 8.160 0.030 1 588 59 59 PHE HA H 5.147 0.030 1 589 59 59 PHE HB2 H 3.613 0.030 2 590 59 59 PHE HB3 H 3.130 0.030 2 591 59 59 PHE HD1 H 7.382 0.030 1 592 59 59 PHE HD2 H 7.382 0.030 1 593 59 59 PHE HE1 H 7.098 0.030 1 594 59 59 PHE HE2 H 7.098 0.030 1 595 59 59 PHE HZ H 6.839 0.030 1 596 59 59 PHE C C 168.998 0.300 1 597 59 59 PHE CA C 50.589 0.300 1 598 59 59 PHE CB C 36.659 0.300 1 599 59 59 PHE CD1 C 132.228 0.300 1 600 59 59 PHE CD2 C 132.228 0.300 1 601 59 59 PHE CE1 C 127.689 0.300 1 602 59 59 PHE CE2 C 127.689 0.300 1 603 59 59 PHE CZ C 126.212 0.300 1 604 59 59 PHE N N 115.716 0.300 1 605 60 60 PRO HA H 4.684 0.030 1 606 60 60 PRO HB2 H 1.894 0.030 2 607 60 60 PRO HB3 H 2.416 0.030 2 608 60 60 PRO HD2 H 3.330 0.030 2 609 60 60 PRO HD3 H 3.639 0.030 2 610 60 60 PRO HG2 H 2.091 0.030 2 611 60 60 PRO HG3 H 2.185 0.030 2 612 60 60 PRO C C 176.622 0.300 1 613 60 60 PRO CA C 62.670 0.300 1 614 60 60 PRO CB C 29.173 0.300 1 615 60 60 PRO CD C 47.302 0.300 1 616 60 60 PRO CG C 25.121 0.300 1 617 61 61 GLY H H 9.111 0.030 1 618 61 61 GLY HA2 H 4.407 0.030 2 619 61 61 GLY HA3 H 3.827 0.030 2 620 61 61 GLY C C 174.202 0.300 1 621 61 61 GLY CA C 43.072 0.300 1 622 61 61 GLY N N 113.486 0.300 1 623 62 62 CYS H H 8.539 0.030 1 624 62 62 CYS HA H 4.391 0.030 1 625 62 62 CYS HB2 H 3.274 0.030 2 626 62 62 CYS HB3 H 2.809 0.030 2 627 62 62 CYS C C 170.529 0.300 1 628 62 62 CYS CA C 57.433 0.300 1 629 62 62 CYS CB C 26.993 0.300 1 630 62 62 CYS N N 116.858 0.300 1 631 63 63 VAL H H 7.670 0.030 1 632 63 63 VAL HA H 4.459 0.030 1 633 63 63 VAL HB H 1.909 0.030 1 634 63 63 VAL HG1 H 0.914 0.030 1 635 63 63 VAL HG2 H 0.871 0.030 1 636 63 63 VAL C C 171.561 0.300 1 637 63 63 VAL CA C 56.776 0.300 1 638 63 63 VAL CB C 33.312 0.300 1 639 63 63 VAL CG1 C 18.369 0.300 2 640 63 63 VAL CG2 C 19.644 0.300 2 641 63 63 VAL N N 117.302 0.300 1 642 64 64 HIS H H 8.414 0.030 1 643 64 64 HIS HA H 4.882 0.030 1 644 64 64 HIS HB2 H 3.073 0.030 2 645 64 64 HIS HB3 H 2.925 0.030 2 646 64 64 HIS HD2 H 6.949 0.030 1 647 64 64 HIS HE1 H 7.699 0.030 1 648 64 64 HIS C C 173.708 0.300 1 649 64 64 HIS CA C 51.952 0.300 1 650 64 64 HIS CB C 27.251 0.300 1 651 64 64 HIS CD2 C 115.773 0.300 1 652 64 64 HIS CE1 C 136.436 0.300 1 653 64 64 HIS N N 127.008 0.300 1 654 65 65 LEU H H 8.433 0.030 1 655 65 65 LEU HA H 3.901 0.030 1 656 65 65 LEU HB2 H 1.784 0.030 2 657 65 65 LEU HB3 H 1.644 0.030 2 658 65 65 LEU HD1 H 0.776 0.030 1 659 65 65 LEU HD2 H 0.915 0.030 1 660 65 65 LEU HG H 1.810 0.030 1 661 65 65 LEU C C 176.555 0.300 1 662 65 65 LEU CA C 55.610 0.300 1 663 65 65 LEU CB C 39.373 0.300 1 664 65 65 LEU CD1 C 21.291 0.300 2 665 65 65 LEU CD2 C 23.441 0.300 2 666 65 65 LEU CG C 24.689 0.300 1 667 65 65 LEU N N 125.600 0.300 1 668 66 66 ARG H H 8.458 0.030 1 669 66 66 ARG HA H 4.246 0.030 1 670 66 66 ARG HB2 H 1.758 0.030 1 671 66 66 ARG HB3 H 1.758 0.030 1 672 66 66 ARG HD2 H 3.165 0.030 1 673 66 66 ARG HD3 H 3.165 0.030 1 674 66 66 ARG HG2 H 1.634 0.030 1 675 66 66 ARG HG3 H 1.634 0.030 1 676 66 66 ARG C C 174.961 0.300 1 677 66 66 ARG CA C 55.604 0.300 1 678 66 66 ARG CB C 27.235 0.300 1 679 66 66 ARG CD C 40.791 0.300 1 680 66 66 ARG CG C 25.084 0.300 1 681 66 66 ARG N N 115.876 0.300 1 682 67 67 LYS H H 7.748 0.030 1 683 67 67 LYS HA H 4.326 0.030 1 684 67 67 LYS HB2 H 1.992 0.030 2 685 67 67 LYS HB3 H 1.878 0.030 2 686 67 67 LYS HD2 H 1.636 0.030 1 687 67 67 LYS HD3 H 1.636 0.030 1 688 67 67 LYS HE2 H 2.838 0.030 1 689 67 67 LYS HE3 H 2.838 0.030 1 690 67 67 LYS HG2 H 1.429 0.030 2 691 67 67 LYS HG3 H 1.343 0.030 2 692 67 67 LYS C C 174.476 0.300 1 693 67 67 LYS CA C 53.799 0.300 1 694 67 67 LYS CB C 31.240 0.300 1 695 67 67 LYS CD C 25.094 0.300 1 696 67 67 LYS CE C 39.822 0.300 1 697 67 67 LYS CG C 23.504 0.300 1 698 67 67 LYS N N 115.520 0.300 1 699 68 68 VAL H H 7.506 0.030 1 700 68 68 VAL HA H 3.538 0.030 1 701 68 68 VAL HB H 1.869 0.030 1 702 68 68 VAL HG1 H -0.220 0.030 1 703 68 68 VAL HG2 H 0.821 0.030 1 704 68 68 VAL C C 172.778 0.300 1 705 68 68 VAL CA C 60.847 0.300 1 706 68 68 VAL CB C 29.462 0.300 1 707 68 68 VAL CG1 C 17.451 0.300 2 708 68 68 VAL CG2 C 20.934 0.300 2 709 68 68 VAL N N 121.916 0.300 1 710 69 69 LYS H H 9.498 0.030 1 711 69 69 LYS HA H 4.519 0.030 1 712 69 69 LYS HB2 H 1.722 0.030 2 713 69 69 LYS HB3 H 1.622 0.030 2 714 69 69 LYS HD2 H 1.280 0.030 2 715 69 69 LYS HD3 H 1.487 0.030 2 716 69 69 LYS HE2 H 1.978 0.030 2 717 69 69 LYS HE3 H 2.482 0.030 2 718 69 69 LYS HG2 H 1.263 0.030 2 719 69 69 LYS HG3 H 1.195 0.030 2 720 69 69 LYS C C 175.382 0.300 1 721 69 69 LYS CA C 52.481 0.300 1 722 69 69 LYS CB C 29.426 0.300 1 723 69 69 LYS CD C 27.505 0.300 1 724 69 69 LYS CE C 39.449 0.300 1 725 69 69 LYS CG C 22.748 0.300 1 726 69 69 LYS N N 127.054 0.300 1 727 70 70 PHE H H 8.653 0.030 1 728 70 70 PHE HA H 3.813 0.030 1 729 70 70 PHE HB2 H 3.056 0.030 2 730 70 70 PHE HB3 H 2.866 0.030 2 731 70 70 PHE HD1 H 7.237 0.030 1 732 70 70 PHE HD2 H 7.237 0.030 1 733 70 70 PHE HE1 H 7.107 0.030 1 734 70 70 PHE HE2 H 7.107 0.030 1 735 70 70 PHE HZ H 6.817 0.030 1 736 70 70 PHE C C 174.615 0.300 1 737 70 70 PHE CA C 60.367 0.300 1 738 70 70 PHE CB C 36.412 0.300 1 739 70 70 PHE CD1 C 129.691 0.300 1 740 70 70 PHE CD2 C 129.691 0.300 1 741 70 70 PHE CE1 C 129.120 0.300 1 742 70 70 PHE CE2 C 129.120 0.300 1 743 70 70 PHE CZ C 126.382 0.300 1 744 70 70 PHE N N 124.216 0.300 1 745 71 71 GLN H H 8.838 0.030 1 746 71 71 GLN HA H 4.612 0.030 1 747 71 71 GLN HB2 H 2.257 0.030 2 748 71 71 GLN HB3 H 1.894 0.030 2 749 71 71 GLN HE21 H 7.491 0.030 2 750 71 71 GLN HE22 H 6.846 0.030 2 751 71 71 GLN HG2 H 2.263 0.030 1 752 71 71 GLN HG3 H 2.263 0.030 1 753 71 71 GLN C C 172.725 0.300 1 754 71 71 GLN CA C 52.040 0.300 1 755 71 71 GLN CB C 24.787 0.300 1 756 71 71 GLN CG C 31.696 0.300 1 757 71 71 GLN N N 118.272 0.300 1 758 71 71 GLN NE2 N 112.274 0.300 1 759 72 72 ALA H H 6.697 0.030 1 760 72 72 ALA HA H 3.912 0.030 1 761 72 72 ALA HB H 1.425 0.030 1 762 72 72 ALA C C 174.781 0.300 1 763 72 72 ALA CA C 50.773 0.300 1 764 72 72 ALA CB C 18.701 0.300 1 765 72 72 ALA N N 120.481 0.300 1 766 73 73 LYS H H 8.883 0.030 1 767 73 73 LYS HA H 4.670 0.030 1 768 73 73 LYS HB2 H 1.684 0.030 2 769 73 73 LYS HB3 H 1.817 0.030 2 770 73 73 LYS HD2 H 1.605 0.030 1 771 73 73 LYS HD3 H 1.605 0.030 1 772 73 73 LYS HE2 H 2.939 0.030 1 773 73 73 LYS HE3 H 2.939 0.030 1 774 73 73 LYS HG2 H 1.419 0.030 1 775 73 73 LYS HG3 H 1.419 0.030 1 776 73 73 LYS C C 172.030 0.300 1 777 73 73 LYS CA C 53.915 0.300 1 778 73 73 LYS CB C 33.566 0.300 1 779 73 73 LYS CD C 26.801 0.300 1 780 73 73 LYS CE C 39.942 0.300 1 781 73 73 LYS CG C 21.963 0.300 1 782 73 73 LYS N N 119.818 0.300 1 783 74 74 LEU H H 7.586 0.030 1 784 74 74 LEU HA H 4.401 0.030 1 785 74 74 LEU HB2 H 1.343 0.030 2 786 74 74 LEU HB3 H 1.026 0.030 2 787 74 74 LEU HD1 H 0.839 0.030 1 788 74 74 LEU HD2 H 0.799 0.030 1 789 74 74 LEU HG H 1.389 0.030 1 790 74 74 LEU C C 174.695 0.300 1 791 74 74 LEU CA C 50.240 0.300 1 792 74 74 LEU CB C 42.743 0.300 1 793 74 74 LEU CD1 C 23.675 0.300 2 794 74 74 LEU CD2 C 20.430 0.300 2 795 74 74 LEU CG C 24.746 0.300 1 796 74 74 LEU N N 119.073 0.300 1 797 75 75 GLU H H 8.563 0.030 1 798 75 75 GLU HA H 3.398 0.030 1 799 75 75 GLU HB2 H 1.882 0.030 2 800 75 75 GLU HB3 H 2.034 0.030 2 801 75 75 GLU HG2 H 2.094 0.030 1 802 75 75 GLU HG3 H 2.094 0.030 1 803 75 75 GLU C C 175.743 0.300 1 804 75 75 GLU CA C 58.831 0.300 1 805 75 75 GLU CB C 27.413 0.300 1 806 75 75 GLU CG C 34.872 0.300 1 807 75 75 GLU N N 122.176 0.300 1 808 76 76 HIS H H 8.230 0.030 1 809 76 76 HIS HA H 4.250 0.030 1 810 76 76 HIS HB2 H 3.110 0.030 2 811 76 76 HIS HB3 H 3.013 0.030 2 812 76 76 HIS HD2 H 6.959 0.030 1 813 76 76 HIS HE1 H 7.598 0.030 1 814 76 76 HIS C C 176.047 0.300 1 815 76 76 HIS CA C 57.036 0.300 1 816 76 76 HIS CB C 26.836 0.300 1 817 76 76 HIS CD2 C 116.756 0.300 1 818 76 76 HIS CE1 C 136.877 0.300 1 819 76 76 HIS N N 112.718 0.300 1 820 77 77 GLU H H 6.875 0.030 1 821 77 77 GLU HA H 3.969 0.030 1 822 77 77 GLU HB2 H 1.678 0.030 2 823 77 77 GLU HB3 H 2.341 0.030 2 824 77 77 GLU HG2 H 1.417 0.030 2 825 77 77 GLU HG3 H 1.685 0.030 2 826 77 77 GLU C C 175.397 0.300 1 827 77 77 GLU CA C 55.904 0.300 1 828 77 77 GLU CB C 29.038 0.300 1 829 77 77 GLU CG C 35.249 0.300 1 830 77 77 GLU N N 121.884 0.300 1 831 78 78 TYR H H 7.498 0.030 1 832 78 78 TYR HA H 4.873 0.030 1 833 78 78 TYR HB2 H 3.453 0.030 2 834 78 78 TYR HB3 H 3.726 0.030 2 835 78 78 TYR HD1 H 6.860 0.030 1 836 78 78 TYR HD2 H 6.860 0.030 1 837 78 78 TYR HE1 H 6.469 0.030 1 838 78 78 TYR HE2 H 6.469 0.030 1 839 78 78 TYR C C 176.919 0.300 1 840 78 78 TYR CA C 54.127 0.300 1 841 78 78 TYR CB C 33.823 0.300 1 842 78 78 TYR CD1 C 129.257 0.300 1 843 78 78 TYR CD2 C 129.257 0.300 1 844 78 78 TYR CE1 C 115.277 0.300 1 845 78 78 TYR CE2 C 115.277 0.300 1 846 78 78 TYR N N 119.892 0.300 1 847 79 79 ILE H H 8.483 0.030 1 848 79 79 ILE HA H 3.499 0.030 1 849 79 79 ILE HB H 1.871 0.030 1 850 79 79 ILE HD1 H 0.840 0.030 1 851 79 79 ILE HG12 H 1.884 0.030 2 852 79 79 ILE HG13 H 0.892 0.030 2 853 79 79 ILE HG2 H 0.880 0.030 1 854 79 79 ILE C C 175.401 0.300 1 855 79 79 ILE CA C 64.014 0.300 1 856 79 79 ILE CB C 35.892 0.300 1 857 79 79 ILE CD1 C 10.995 0.300 1 858 79 79 ILE CG1 C 28.312 0.300 1 859 79 79 ILE CG2 C 14.742 0.300 1 860 79 79 ILE N N 118.038 0.300 1 861 80 80 HIS H H 7.533 0.030 1 862 80 80 HIS HA H 4.087 0.030 1 863 80 80 HIS HB2 H 3.605 0.030 2 864 80 80 HIS HB3 H 3.130 0.030 2 865 80 80 HIS HD2 H 7.145 0.030 1 866 80 80 HIS HE1 H 7.696 0.030 1 867 80 80 HIS C C 175.320 0.300 1 868 80 80 HIS CA C 58.506 0.300 1 869 80 80 HIS CB C 28.051 0.300 1 870 80 80 HIS CD2 C 116.590 0.300 1 871 80 80 HIS CE1 C 135.664 0.300 1 872 80 80 HIS N N 118.837 0.300 1 873 81 81 ASN H H 7.868 0.030 1 874 81 81 ASN HA H 4.201 0.030 1 875 81 81 ASN HB2 H 1.927 0.030 2 876 81 81 ASN HB3 H 3.551 0.030 2 877 81 81 ASN HD21 H 7.524 0.030 2 878 81 81 ASN HD22 H 7.042 0.030 2 879 81 81 ASN C C 176.038 0.300 1 880 81 81 ASN CA C 53.093 0.300 1 881 81 81 ASN CB C 34.831 0.300 1 882 81 81 ASN N N 118.015 0.300 1 883 81 81 ASN ND2 N 105.380 0.300 1 884 82 82 PHE H H 8.522 0.030 1 885 82 82 PHE HA H 4.055 0.030 1 886 82 82 PHE HB2 H 2.814 0.030 1 887 82 82 PHE HB3 H 2.814 0.030 1 888 82 82 PHE HD1 H 6.939 0.030 1 889 82 82 PHE HD2 H 6.939 0.030 1 890 82 82 PHE HE1 H 7.017 0.030 1 891 82 82 PHE HE2 H 7.017 0.030 1 892 82 82 PHE HZ H 6.970 0.030 1 893 82 82 PHE C C 176.098 0.300 1 894 82 82 PHE CA C 61.406 0.300 1 895 82 82 PHE CB C 37.494 0.300 1 896 82 82 PHE CD1 C 129.197 0.300 1 897 82 82 PHE CD2 C 129.197 0.300 1 898 82 82 PHE CE1 C 129.154 0.300 1 899 82 82 PHE CE2 C 129.154 0.300 1 900 82 82 PHE CZ C 126.862 0.300 1 901 82 82 PHE N N 117.864 0.300 1 902 83 83 LYS H H 8.503 0.030 1 903 83 83 LYS HA H 4.197 0.030 1 904 83 83 LYS HB2 H 1.997 0.030 2 905 83 83 LYS HB3 H 1.759 0.030 2 906 83 83 LYS HD2 H 1.598 0.030 1 907 83 83 LYS HD3 H 1.598 0.030 1 908 83 83 LYS HE2 H 2.833 0.030 1 909 83 83 LYS HE3 H 2.833 0.030 1 910 83 83 LYS HG2 H 1.351 0.030 2 911 83 83 LYS HG3 H 1.595 0.030 2 912 83 83 LYS C C 178.416 0.300 1 913 83 83 LYS CA C 57.606 0.300 1 914 83 83 LYS CB C 29.308 0.300 1 915 83 83 LYS CD C 26.874 0.300 1 916 83 83 LYS CE C 39.776 0.300 1 917 83 83 LYS CG C 23.514 0.300 1 918 83 83 LYS N N 123.447 0.300 1 919 84 84 VAL H H 7.541 0.030 1 920 84 84 VAL HA H 3.531 0.030 1 921 84 84 VAL HB H 2.456 0.030 1 922 84 84 VAL HG1 H 0.649 0.030 1 923 84 84 VAL HG2 H 0.777 0.030 1 924 84 84 VAL C C 177.272 0.300 1 925 84 84 VAL CA C 64.267 0.300 1 926 84 84 VAL CB C 28.294 0.300 1 927 84 84 VAL CG1 C 19.994 0.300 2 928 84 84 VAL CG2 C 20.144 0.300 2 929 84 84 VAL N N 123.679 0.300 1 930 85 85 LEU H H 7.850 0.030 1 931 85 85 LEU HA H 3.857 0.030 1 932 85 85 LEU HB2 H 1.968 0.030 2 933 85 85 LEU HB3 H 1.385 0.030 2 934 85 85 LEU HD1 H 0.899 0.030 1 935 85 85 LEU HD2 H 0.728 0.030 1 936 85 85 LEU C C 175.875 0.300 1 937 85 85 LEU CA C 55.489 0.300 1 938 85 85 LEU CB C 39.110 0.300 1 939 85 85 LEU CD1 C 22.219 0.300 2 940 85 85 LEU CD2 C 24.625 0.300 2 941 85 85 LEU CG C 24.908 0.300 1 942 85 85 LEU N N 122.390 0.300 1 943 86 86 GLN H H 8.839 0.030 1 944 86 86 GLN HA H 3.657 0.030 1 945 86 86 GLN HB2 H 2.198 0.030 2 946 86 86 GLN HB3 H 2.052 0.030 2 947 86 86 GLN HE21 H 7.276 0.030 2 948 86 86 GLN HE22 H 7.096 0.030 2 949 86 86 GLN HG2 H 2.258 0.030 2 950 86 86 GLN HG3 H 2.443 0.030 2 951 86 86 GLN C C 176.502 0.300 1 952 86 86 GLN CA C 56.758 0.300 1 953 86 86 GLN CB C 27.117 0.300 1 954 86 86 GLN CG C 32.591 0.300 1 955 86 86 GLN N N 118.193 0.300 1 956 86 86 GLN NE2 N 112.868 0.300 1 957 87 87 ALA H H 7.764 0.030 1 958 87 87 ALA HA H 4.203 0.030 1 959 87 87 ALA HB H 1.516 0.030 1 960 87 87 ALA C C 178.036 0.300 1 961 87 87 ALA CA C 52.799 0.300 1 962 87 87 ALA CB C 15.517 0.300 1 963 87 87 ALA N N 121.595 0.300 1 964 88 88 ALA H H 7.763 0.030 1 965 88 88 ALA HA H 4.299 0.030 1 966 88 88 ALA HB H 1.615 0.030 1 967 88 88 ALA C C 177.093 0.300 1 968 88 88 ALA CA C 52.911 0.300 1 969 88 88 ALA CB C 16.305 0.300 1 970 88 88 ALA N N 123.730 0.300 1 971 89 89 PHE H H 8.980 0.030 1 972 89 89 PHE HA H 4.141 0.030 1 973 89 89 PHE HB2 H 3.658 0.030 2 974 89 89 PHE HB3 H 3.239 0.030 2 975 89 89 PHE HD1 H 7.203 0.030 1 976 89 89 PHE HD2 H 7.203 0.030 1 977 89 89 PHE HE1 H 7.340 0.030 1 978 89 89 PHE HE2 H 7.340 0.030 1 979 89 89 PHE HZ H 7.275 0.030 1 980 89 89 PHE C C 176.081 0.300 1 981 89 89 PHE CA C 57.016 0.300 1 982 89 89 PHE CB C 35.038 0.300 1 983 89 89 PHE CD1 C 127.542 0.300 1 984 89 89 PHE CD2 C 127.542 0.300 1 985 89 89 PHE CE1 C 129.092 0.300 1 986 89 89 PHE CE2 C 129.092 0.300 1 987 89 89 PHE CZ C 124.855 0.300 1 988 89 89 PHE N N 118.927 0.300 1 989 90 90 LYS H H 8.215 0.030 1 990 90 90 LYS HA H 4.137 0.030 1 991 90 90 LYS HB2 H 1.938 0.030 1 992 90 90 LYS HB3 H 1.938 0.030 1 993 90 90 LYS HD2 H 1.662 0.030 1 994 90 90 LYS HD3 H 1.662 0.030 1 995 90 90 LYS HE2 H 2.927 0.030 1 996 90 90 LYS HE3 H 2.927 0.030 1 997 90 90 LYS HG2 H 1.493 0.030 2 998 90 90 LYS HG3 H 1.429 0.030 2 999 90 90 LYS C C 177.829 0.300 1 1000 90 90 LYS CA C 56.868 0.300 1 1001 90 90 LYS CB C 29.803 0.300 1 1002 90 90 LYS CD C 26.783 0.300 1 1003 90 90 LYS CE C 39.860 0.300 1 1004 90 90 LYS CG C 22.644 0.300 1 1005 90 90 LYS N N 119.065 0.300 1 1006 91 91 LYS H H 8.074 0.030 1 1007 91 91 LYS HA H 3.951 0.030 1 1008 91 91 LYS HB2 H 1.945 0.030 1 1009 91 91 LYS HB3 H 1.945 0.030 1 1010 91 91 LYS HD2 H 1.674 0.030 1 1011 91 91 LYS HD3 H 1.674 0.030 1 1012 91 91 LYS HE2 H 2.934 0.030 1 1013 91 91 LYS HE3 H 2.934 0.030 1 1014 91 91 LYS HG2 H 1.475 0.030 2 1015 91 91 LYS HG3 H 1.415 0.030 2 1016 91 91 LYS C C 175.581 0.300 1 1017 91 91 LYS CA C 56.893 0.300 1 1018 91 91 LYS CB C 30.545 0.300 1 1019 91 91 LYS CD C 27.040 0.300 1 1020 91 91 LYS CE C 39.895 0.300 1 1021 91 91 LYS CG C 22.635 0.300 1 1022 91 91 LYS N N 120.397 0.300 1 1023 92 92 MET H H 7.470 0.030 1 1024 92 92 MET HA H 4.670 0.030 1 1025 92 92 MET HB2 H 1.667 0.030 1 1026 92 92 MET HB3 H 1.667 0.030 1 1027 92 92 MET HE H 1.182 0.030 1 1028 92 92 MET HG2 H 2.298 0.030 1 1029 92 92 MET HG3 H 2.298 0.030 1 1030 92 92 MET C C 173.547 0.300 1 1031 92 92 MET CA C 50.112 0.300 1 1032 92 92 MET CB C 27.535 0.300 1 1033 92 92 MET CE C 11.655 0.300 1 1034 92 92 MET CG C 27.931 0.300 1 1035 92 92 MET N N 110.991 0.300 1 1036 93 93 GLY H H 7.600 0.030 1 1037 93 93 GLY HA2 H 3.892 0.030 2 1038 93 93 GLY HA3 H 3.776 0.030 2 1039 93 93 GLY C C 173.017 0.300 1 1040 93 93 GLY CA C 44.576 0.300 1 1041 93 93 GLY N N 107.943 0.300 1 1042 94 94 VAL H H 8.531 0.030 1 1043 94 94 VAL HA H 3.979 0.030 1 1044 94 94 VAL HB H 1.414 0.030 1 1045 94 94 VAL HG1 H -0.155 0.030 1 1046 94 94 VAL HG2 H 0.527 0.030 1 1047 94 94 VAL C C 174.162 0.300 1 1048 94 94 VAL CA C 59.882 0.300 1 1049 94 94 VAL CB C 28.890 0.300 1 1050 94 94 VAL CG1 C 18.356 0.300 2 1051 94 94 VAL CG2 C 20.152 0.300 2 1052 94 94 VAL N N 121.306 0.300 1 1053 95 95 ASP H H 8.710 0.030 1 1054 95 95 ASP HA H 4.454 0.030 1 1055 95 95 ASP HB2 H 2.528 0.030 1 1056 95 95 ASP HB3 H 2.528 0.030 1 1057 95 95 ASP C C 172.387 0.300 1 1058 95 95 ASP CA C 50.483 0.300 1 1059 95 95 ASP CB C 37.293 0.300 1 1060 95 95 ASP N N 129.525 0.300 1 1061 96 96 LYS H H 6.786 0.030 1 1062 96 96 LYS HA H 3.901 0.030 1 1063 96 96 LYS HB2 H 1.112 0.030 2 1064 96 96 LYS HB3 H 0.960 0.030 2 1065 96 96 LYS HD2 H -0.020 0.030 2 1066 96 96 LYS HD3 H 1.099 0.030 2 1067 96 96 LYS HE2 H 1.951 0.030 2 1068 96 96 LYS HE3 H 1.490 0.030 2 1069 96 96 LYS HG2 H 0.317 0.030 2 1070 96 96 LYS HG3 H -0.674 0.030 2 1071 96 96 LYS C C 172.196 0.300 1 1072 96 96 LYS CA C 52.352 0.300 1 1073 96 96 LYS CB C 33.168 0.300 1 1074 96 96 LYS CD C 25.844 0.300 1 1075 96 96 LYS CE C 39.664 0.300 1 1076 96 96 LYS CG C 20.169 0.300 1 1077 96 96 LYS N N 122.331 0.300 1 1078 97 97 ILE H H 8.378 0.030 1 1079 97 97 ILE HA H 4.024 0.030 1 1080 97 97 ILE HB H 1.606 0.030 1 1081 97 97 ILE HD1 H 0.701 0.030 1 1082 97 97 ILE HG12 H 1.414 0.030 2 1083 97 97 ILE HG13 H 1.109 0.030 2 1084 97 97 ILE HG2 H 0.602 0.030 1 1085 97 97 ILE C C 173.815 0.300 1 1086 97 97 ILE CA C 57.544 0.300 1 1087 97 97 ILE CB C 34.865 0.300 1 1088 97 97 ILE CD1 C 9.333 0.300 1 1089 97 97 ILE CG1 C 24.943 0.300 1 1090 97 97 ILE CG2 C 14.742 0.300 1 1091 97 97 ILE N N 128.728 0.300 1 1092 98 98 ILE H H 8.887 0.030 1 1093 98 98 ILE HA H 3.753 0.030 1 1094 98 98 ILE HB H 1.431 0.030 1 1095 98 98 ILE HD1 H 0.211 0.030 1 1096 98 98 ILE HG12 H 0.493 0.030 2 1097 98 98 ILE HG13 H 1.587 0.030 2 1098 98 98 ILE HG2 H -0.036 0.030 1 1099 98 98 ILE C C 173.492 0.300 1 1100 98 98 ILE CA C 56.676 0.300 1 1101 98 98 ILE CB C 36.792 0.300 1 1102 98 98 ILE CD1 C 11.401 0.300 1 1103 98 98 ILE CG1 C 25.441 0.300 1 1104 98 98 ILE CG2 C 15.517 0.300 1 1105 98 98 ILE N N 129.863 0.300 1 1106 99 99 PRO HA H 4.742 0.030 1 1107 99 99 PRO HB2 H 2.046 0.030 2 1108 99 99 PRO HB3 H 1.679 0.030 2 1109 99 99 PRO HD2 H 2.875 0.030 2 1110 99 99 PRO HD3 H 3.687 0.030 2 1111 99 99 PRO HG2 H 2.015 0.030 2 1112 99 99 PRO HG3 H 1.522 0.030 2 1113 99 99 PRO C C 173.271 0.300 1 1114 99 99 PRO CA C 59.026 0.300 1 1115 99 99 PRO CB C 25.168 0.300 1 1116 99 99 PRO CD C 48.001 0.300 1 1117 99 99 PRO CG C 24.282 0.300 1 1118 100 100 VAL H H 7.976 0.030 1 1119 100 100 VAL HA H 2.238 0.030 1 1120 100 100 VAL HB H 1.683 0.030 1 1121 100 100 VAL HG1 H 0.654 0.030 1 1122 100 100 VAL HG2 H 0.629 0.030 1 1123 100 100 VAL C C 173.130 0.300 1 1124 100 100 VAL CA C 65.274 0.300 1 1125 100 100 VAL CB C 30.227 0.300 1 1126 100 100 VAL CG1 C 18.974 0.300 2 1127 100 100 VAL CG2 C 19.915 0.300 2 1128 100 100 VAL N N 124.128 0.300 1 1129 101 101 GLU H H 8.601 0.030 1 1130 101 101 GLU HA H 3.667 0.030 1 1131 101 101 GLU HB2 H 1.804 0.030 1 1132 101 101 GLU HB3 H 1.804 0.030 1 1133 101 101 GLU HG2 H 2.128 0.030 1 1134 101 101 GLU HG3 H 2.128 0.030 1 1135 101 101 GLU C C 175.645 0.300 1 1136 101 101 GLU CA C 57.290 0.300 1 1137 101 101 GLU CB C 26.218 0.300 1 1138 101 101 GLU CG C 34.337 0.300 1 1139 101 101 GLU N N 114.117 0.300 1 1140 102 102 LYS H H 6.996 0.030 1 1141 102 102 LYS HA H 4.065 0.030 1 1142 102 102 LYS HB2 H 1.626 0.030 1 1143 102 102 LYS HB3 H 1.626 0.030 1 1144 102 102 LYS HD2 H 1.467 0.030 2 1145 102 102 LYS HD3 H 1.547 0.030 2 1146 102 102 LYS HE2 H 2.833 0.030 1 1147 102 102 LYS HE3 H 2.833 0.030 1 1148 102 102 LYS HG2 H 1.206 0.030 2 1149 102 102 LYS HG3 H 1.363 0.030 2 1150 102 102 LYS C C 177.126 0.300 1 1151 102 102 LYS CA C 55.720 0.300 1 1152 102 102 LYS CB C 30.722 0.300 1 1153 102 102 LYS CD C 26.610 0.300 1 1154 102 102 LYS CE C 39.778 0.300 1 1155 102 102 LYS CG C 22.986 0.300 1 1156 102 102 LYS N N 114.033 0.300 1 1157 103 103 LEU H H 7.818 0.030 1 1158 103 103 LEU HA H 3.672 0.030 1 1159 103 103 LEU HB2 H 0.964 0.030 2 1160 103 103 LEU HB3 H 1.062 0.030 2 1161 103 103 LEU HD1 H -0.479 0.030 1 1162 103 103 LEU HD2 H 0.353 0.030 1 1163 103 103 LEU HG H 1.156 0.030 1 1164 103 103 LEU C C 178.762 0.300 1 1165 103 103 LEU CA C 55.976 0.300 1 1166 103 103 LEU CB C 38.855 0.300 1 1167 103 103 LEU CD1 C 23.515 0.300 2 1168 103 103 LEU CD2 C 19.397 0.300 2 1169 103 103 LEU CG C 23.533 0.300 1 1170 103 103 LEU N N 118.679 0.300 1 1171 104 104 VAL H H 7.754 0.030 1 1172 104 104 VAL HA H 4.120 0.030 1 1173 104 104 VAL HB H 2.665 0.030 1 1174 104 104 VAL HG1 H 1.155 0.030 1 1175 104 104 VAL HG2 H 0.875 0.030 1 1176 104 104 VAL C C 173.101 0.300 1 1177 104 104 VAL CA C 62.122 0.300 1 1178 104 104 VAL CB C 29.480 0.300 1 1179 104 104 VAL CG1 C 19.900 0.300 2 1180 104 104 VAL CG2 C 15.001 0.300 2 1181 104 104 VAL N N 107.538 0.300 1 1182 105 105 LYS H H 6.935 0.030 1 1183 105 105 LYS HA H 4.232 0.030 1 1184 105 105 LYS HB2 H 1.942 0.030 1 1185 105 105 LYS HB3 H 1.942 0.030 1 1186 105 105 LYS HD2 H 1.571 0.030 1 1187 105 105 LYS HD3 H 1.571 0.030 1 1188 105 105 LYS HE2 H 2.909 0.030 2 1189 105 105 LYS HE3 H 2.973 0.030 2 1190 105 105 LYS HG2 H 1.571 0.030 1 1191 105 105 LYS HG3 H 1.571 0.030 1 1192 105 105 LYS C C 176.514 0.300 1 1193 105 105 LYS CA C 53.418 0.300 1 1194 105 105 LYS CB C 29.309 0.300 1 1195 105 105 LYS CD C 25.672 0.300 1 1196 105 105 LYS CE C 39.965 0.300 1 1197 105 105 LYS CG C 22.159 0.300 1 1198 105 105 LYS N N 115.841 0.300 1 1199 106 106 GLY H H 7.954 0.030 1 1200 106 106 GLY HA2 H 3.958 0.030 2 1201 106 106 GLY HA3 H 3.594 0.030 2 1202 106 106 GLY C C 171.380 0.300 1 1203 106 106 GLY CA C 44.898 0.300 1 1204 106 106 GLY N N 103.335 0.300 1 1205 107 107 LYS H H 8.817 0.030 1 1206 107 107 LYS HA H 4.670 0.030 1 1207 107 107 LYS HB2 H 1.968 0.030 1 1208 107 107 LYS HB3 H 1.968 0.030 1 1209 107 107 LYS HD2 H 1.658 0.030 1 1210 107 107 LYS HD3 H 1.658 0.030 1 1211 107 107 LYS HE2 H 2.481 0.030 2 1212 107 107 LYS HG2 H 1.440 0.030 2 1213 107 107 LYS HG3 H 1.343 0.030 2 1214 107 107 LYS C C 176.506 0.300 1 1215 107 107 LYS CA C 52.465 0.300 1 1216 107 107 LYS CB C 30.260 0.300 1 1217 107 107 LYS CD C 26.143 0.300 1 1218 107 107 LYS CE C 39.427 0.300 1 1219 107 107 LYS CG C 22.743 0.300 1 1220 107 107 LYS N N 116.810 0.300 1 1221 108 108 PHE H H 9.095 0.030 1 1222 108 108 PHE HA H 3.698 0.030 1 1223 108 108 PHE HB2 H 3.316 0.030 2 1224 108 108 PHE HB3 H 2.902 0.030 2 1225 108 108 PHE HD1 H 7.069 0.030 1 1226 108 108 PHE HD2 H 7.069 0.030 1 1227 108 108 PHE HZ H 7.203 0.030 1 1228 108 108 PHE C C 174.791 0.300 1 1229 108 108 PHE CA C 61.672 0.300 1 1230 108 108 PHE CB C 37.043 0.300 1 1231 108 108 PHE CD1 C 129.590 0.300 1 1232 108 108 PHE CD2 C 129.590 0.300 1 1233 108 108 PHE CZ C 128.463 0.300 1 1234 108 108 PHE N N 123.369 0.300 1 1235 109 109 GLN H H 9.203 0.030 1 1236 109 109 GLN HA H 3.666 0.030 1 1237 109 109 GLN HB2 H 2.295 0.030 2 1238 109 109 GLN HB3 H 1.950 0.030 2 1239 109 109 GLN HE21 H 6.873 0.030 2 1240 109 109 GLN HE22 H 7.940 0.030 2 1241 109 109 GLN HG2 H 2.449 0.030 2 1242 109 109 GLN HG3 H 2.385 0.030 2 1243 109 109 GLN C C 176.144 0.300 1 1244 109 109 GLN CA C 58.174 0.300 1 1245 109 109 GLN CB C 25.311 0.300 1 1246 109 109 GLN CG C 30.752 0.300 1 1247 109 109 GLN N N 118.544 0.300 1 1248 109 109 GLN NE2 N 112.407 0.300 1 1249 110 110 ASP H H 7.615 0.030 1 1250 110 110 ASP HA H 4.281 0.030 1 1251 110 110 ASP HB2 H 2.311 0.030 1 1252 110 110 ASP HB3 H 2.311 0.030 1 1253 110 110 ASP C C 176.735 0.300 1 1254 110 110 ASP CA C 54.463 0.300 1 1255 110 110 ASP CB C 38.979 0.300 1 1256 110 110 ASP N N 113.283 0.300 1 1257 111 111 ASN H H 7.171 0.030 1 1258 111 111 ASN HA H 4.343 0.030 1 1259 111 111 ASN HB2 H 2.646 0.030 2 1260 111 111 ASN HB3 H 2.157 0.030 2 1261 111 111 ASN HD21 H 7.892 0.030 2 1262 111 111 ASN HD22 H 7.261 0.030 2 1263 111 111 ASN C C 175.313 0.300 1 1264 111 111 ASN CA C 54.751 0.300 1 1265 111 111 ASN CB C 36.914 0.300 1 1266 111 111 ASN N N 115.939 0.300 1 1267 111 111 ASN ND2 N 110.025 0.300 1 1268 112 112 PHE H H 9.234 0.030 1 1269 112 112 PHE HA H 4.367 0.030 1 1270 112 112 PHE HB2 H 2.529 0.030 2 1271 112 112 PHE HB3 H 1.865 0.030 2 1272 112 112 PHE HD1 H 7.064 0.030 1 1273 112 112 PHE HD2 H 7.064 0.030 1 1274 112 112 PHE HE1 H 6.019 0.030 1 1275 112 112 PHE HE2 H 6.019 0.030 1 1276 112 112 PHE HZ H 6.916 0.030 1 1277 112 112 PHE C C 174.370 0.300 1 1278 112 112 PHE CA C 56.338 0.300 1 1279 112 112 PHE CB C 36.205 0.300 1 1280 112 112 PHE CD1 C 129.422 0.300 1 1281 112 112 PHE CD2 C 129.422 0.300 1 1282 112 112 PHE CE1 C 127.106 0.300 1 1283 112 112 PHE CE2 C 127.106 0.300 1 1284 112 112 PHE CZ C 128.441 0.300 1 1285 112 112 PHE N N 123.525 0.300 1 1286 113 113 GLU H H 8.039 0.030 1 1287 113 113 GLU HA H 3.823 0.030 1 1288 113 113 GLU HB2 H 2.087 0.030 2 1289 113 113 GLU HB3 H 2.031 0.030 2 1290 113 113 GLU HG2 H 2.494 0.030 2 1291 113 113 GLU HG3 H 2.233 0.030 2 1292 113 113 GLU C C 177.501 0.300 1 1293 113 113 GLU CA C 57.357 0.300 1 1294 113 113 GLU CB C 27.205 0.300 1 1295 113 113 GLU CG C 34.331 0.300 1 1296 113 113 GLU N N 117.591 0.300 1 1297 114 114 PHE H H 7.539 0.030 1 1298 114 114 PHE HA H 4.513 0.030 1 1299 114 114 PHE HB2 H 3.096 0.030 1 1300 114 114 PHE HB3 H 3.096 0.030 1 1301 114 114 PHE HD1 H 7.260 0.030 1 1302 114 114 PHE HD2 H 7.260 0.030 1 1303 114 114 PHE HE1 H 6.281 0.030 1 1304 114 114 PHE HE2 H 6.281 0.030 1 1305 114 114 PHE HZ H 6.889 0.030 1 1306 114 114 PHE C C 174.997 0.300 1 1307 114 114 PHE CA C 60.388 0.300 1 1308 114 114 PHE CB C 37.351 0.300 1 1309 114 114 PHE CD1 C 130.246 0.300 1 1310 114 114 PHE CD2 C 130.246 0.300 1 1311 114 114 PHE CE1 C 127.913 0.300 1 1312 114 114 PHE CE2 C 127.913 0.300 1 1313 114 114 PHE CZ C 126.116 0.300 1 1314 114 114 PHE N N 117.888 0.300 1 1315 115 115 ILE H H 7.882 0.030 1 1316 115 115 ILE HA H 4.495 0.030 1 1317 115 115 ILE HB H 2.488 0.030 1 1318 115 115 ILE HD1 H 1.217 0.030 1 1319 115 115 ILE HG12 H 1.615 0.030 2 1320 115 115 ILE HG13 H 1.946 0.030 2 1321 115 115 ILE HG2 H 1.229 0.030 1 1322 115 115 ILE C C 173.998 0.300 1 1323 115 115 ILE CA C 60.565 0.300 1 1324 115 115 ILE CB C 33.829 0.300 1 1325 115 115 ILE CD1 C 12.690 0.300 1 1326 115 115 ILE CG1 C 28.486 0.300 1 1327 115 115 ILE CG2 C 16.933 0.300 1 1328 115 115 ILE N N 118.012 0.300 1 1329 116 116 GLN H H 7.563 0.030 1 1330 116 116 GLN HA H 3.713 0.030 1 1331 116 116 GLN HB2 H 1.787 0.030 1 1332 116 116 GLN HB3 H 1.787 0.030 1 1333 116 116 GLN HE21 H 7.092 0.030 2 1334 116 116 GLN HE22 H 5.197 0.030 2 1335 116 116 GLN HG2 H 1.840 0.030 1 1336 116 116 GLN HG3 H 1.840 0.030 1 1337 116 116 GLN C C 176.936 0.300 1 1338 116 116 GLN CA C 56.791 0.300 1 1339 116 116 GLN CB C 25.432 0.300 1 1340 116 116 GLN CG C 30.875 0.300 1 1341 116 116 GLN N N 120.554 0.300 1 1342 116 116 GLN NE2 N 111.163 0.300 1 1343 117 117 TRP H H 7.087 0.030 1 1344 117 117 TRP HA H 3.747 0.030 1 1345 117 117 TRP HB2 H 3.150 0.030 1 1346 117 117 TRP HB3 H 3.150 0.030 1 1347 117 117 TRP HD1 H 7.006 0.030 1 1348 117 117 TRP HE1 H 9.444 0.030 1 1349 117 117 TRP HE3 H 6.588 0.030 1 1350 117 117 TRP HH2 H 5.694 0.030 1 1351 117 117 TRP HZ2 H 7.234 0.030 1 1352 117 117 TRP HZ3 H 6.617 0.030 1 1353 117 117 TRP C C 174.055 0.300 1 1354 117 117 TRP CA C 59.866 0.300 1 1355 117 117 TRP CB C 24.935 0.300 1 1356 117 117 TRP CD1 C 124.071 0.300 1 1357 117 117 TRP CE3 C 117.422 0.300 1 1358 117 117 TRP CH2 C 121.291 0.300 1 1359 117 117 TRP CZ2 C 112.707 0.300 1 1360 117 117 TRP CZ3 C 118.906 0.300 1 1361 117 117 TRP N N 118.721 0.300 1 1362 117 117 TRP NE1 N 129.033 0.300 1 1363 118 118 PHE H H 8.953 0.030 1 1364 118 118 PHE HA H 2.633 0.030 1 1365 118 118 PHE HB2 H 2.971 0.030 2 1366 118 118 PHE HB3 H 2.652 0.030 2 1367 118 118 PHE HD1 H 7.047 0.030 1 1368 118 118 PHE HD2 H 7.047 0.030 1 1369 118 118 PHE HE1 H 7.236 0.030 1 1370 118 118 PHE HE2 H 7.236 0.030 1 1371 118 118 PHE HZ H 7.439 0.030 1 1372 118 118 PHE C C 174.315 0.300 1 1373 118 118 PHE CA C 59.357 0.300 1 1374 118 118 PHE CB C 37.445 0.300 1 1375 118 118 PHE CD1 C 129.998 0.300 1 1376 118 118 PHE CD2 C 129.998 0.300 1 1377 118 118 PHE CE1 C 128.287 0.300 1 1378 118 118 PHE CE2 C 128.287 0.300 1 1379 118 118 PHE CZ C 126.637 0.300 1 1380 118 118 PHE N N 120.415 0.300 1 1381 119 119 LYS H H 8.701 0.030 1 1382 119 119 LYS HA H 3.282 0.030 1 1383 119 119 LYS HB2 H 1.454 0.030 2 1384 119 119 LYS HB3 H 1.187 0.030 2 1385 119 119 LYS HD2 H -0.931 0.030 2 1386 119 119 LYS HD3 H 0.582 0.030 2 1387 119 119 LYS HE2 H 1.150 0.030 2 1388 119 119 LYS HE3 H 1.824 0.030 2 1389 119 119 LYS HG2 H 0.419 0.030 2 1390 119 119 LYS HG3 H 0.364 0.030 2 1391 119 119 LYS C C 174.596 0.300 1 1392 119 119 LYS CA C 55.816 0.300 1 1393 119 119 LYS CB C 29.425 0.300 1 1394 119 119 LYS CD C 23.765 0.300 1 1395 119 119 LYS CE C 39.267 0.300 1 1396 119 119 LYS CG C 21.965 0.300 1 1397 119 119 LYS N N 118.566 0.300 1 1398 120 120 LYS H H 6.463 0.030 1 1399 120 120 LYS HA H 3.755 0.030 1 1400 120 120 LYS HB2 H 1.558 0.030 2 1401 120 120 LYS HB3 H 1.462 0.030 2 1402 120 120 LYS HD2 H 1.417 0.030 2 1403 120 120 LYS HD3 H 1.469 0.030 2 1404 120 120 LYS HE2 H 2.806 0.030 2 1405 120 120 LYS HG2 H 1.163 0.030 2 1406 120 120 LYS HG3 H 1.363 0.030 2 1407 120 120 LYS C C 177.255 0.300 1 1408 120 120 LYS CA C 56.709 0.300 1 1409 120 120 LYS CB C 29.648 0.300 1 1410 120 120 LYS CD C 26.848 0.300 1 1411 120 120 LYS CE C 39.860 0.300 1 1412 120 120 LYS CG C 22.823 0.300 1 1413 120 120 LYS N N 117.439 0.300 1 1414 121 121 PHE H H 7.509 0.030 1 1415 121 121 PHE HA H 3.395 0.030 1 1416 121 121 PHE HB2 H 1.697 0.030 2 1417 121 121 PHE HB3 H 1.394 0.030 2 1418 121 121 PHE HD1 H 6.354 0.030 1 1419 121 121 PHE HD2 H 6.354 0.030 1 1420 121 121 PHE HE1 H 6.944 0.030 1 1421 121 121 PHE HE2 H 6.944 0.030 1 1422 121 121 PHE HZ H 6.693 0.030 1 1423 121 121 PHE C C 174.657 0.300 1 1424 121 121 PHE CA C 58.779 0.300 1 1425 121 121 PHE CB C 35.581 0.300 1 1426 121 121 PHE CD1 C 128.963 0.300 1 1427 121 121 PHE CD2 C 128.963 0.300 1 1428 121 121 PHE CE1 C 129.015 0.300 1 1429 121 121 PHE CE2 C 129.015 0.300 1 1430 121 121 PHE CZ C 125.868 0.300 1 1431 121 121 PHE N N 122.040 0.300 1 1432 122 122 PHE H H 9.114 0.030 1 1433 122 122 PHE HA H 3.292 0.030 1 1434 122 122 PHE HB2 H 2.361 0.030 2 1435 122 122 PHE HB3 H 2.996 0.030 2 1436 122 122 PHE HD1 H 6.957 0.030 1 1437 122 122 PHE HD2 H 6.957 0.030 1 1438 122 122 PHE HE1 H 7.163 0.030 1 1439 122 122 PHE HE2 H 7.163 0.030 1 1440 122 122 PHE HZ H 6.397 0.030 1 1441 122 122 PHE C C 175.200 0.300 1 1442 122 122 PHE CA C 58.850 0.300 1 1443 122 122 PHE CB C 36.851 0.300 1 1444 122 122 PHE CD1 C 129.682 0.300 1 1445 122 122 PHE CD2 C 129.682 0.300 1 1446 122 122 PHE CE1 C 129.490 0.300 1 1447 122 122 PHE CE2 C 129.490 0.300 1 1448 122 122 PHE CZ C 127.918 0.300 1 1449 122 122 PHE N N 123.891 0.300 1 1450 123 123 ASP H H 8.652 0.030 1 1451 123 123 ASP HA H 4.120 0.030 1 1452 123 123 ASP HB2 H 2.426 0.030 1 1453 123 123 ASP HB3 H 2.426 0.030 1 1454 123 123 ASP C C 176.133 0.300 1 1455 123 123 ASP CA C 54.657 0.300 1 1456 123 123 ASP CB C 37.139 0.300 1 1457 123 123 ASP N N 119.802 0.300 1 1458 124 124 ALA H H 7.154 0.030 1 1459 124 124 ALA HA H 3.963 0.030 1 1460 124 124 ALA HB H 1.013 0.030 1 1461 124 124 ALA C C 175.050 0.300 1 1462 124 124 ALA CA C 50.886 0.300 1 1463 124 124 ALA CB C 16.392 0.300 1 1464 124 124 ALA N N 118.334 0.300 1 1465 125 125 ASN H H 6.942 0.030 1 1466 125 125 ASN HA H 4.453 0.030 1 1467 125 125 ASN HB2 H 2.069 0.030 2 1468 125 125 ASN HB3 H 1.631 0.030 2 1469 125 125 ASN HD21 H 6.846 0.030 2 1470 125 125 ASN HD22 H 7.866 0.030 2 1471 125 125 ASN C C 172.008 0.300 1 1472 125 125 ASN CA C 51.669 0.300 1 1473 125 125 ASN CB C 41.014 0.300 1 1474 125 125 ASN N N 112.789 0.300 1 1475 125 125 ASN ND2 N 119.930 0.300 1 1476 126 126 TYR H H 7.945 0.030 1 1477 126 126 TYR HA H 4.093 0.030 1 1478 126 126 TYR HB2 H 2.298 0.030 2 1479 126 126 TYR HB3 H 1.744 0.030 2 1480 126 126 TYR HD1 H 6.951 0.030 1 1481 126 126 TYR HD2 H 6.951 0.030 1 1482 126 126 TYR HE1 H 6.891 0.030 1 1483 126 126 TYR HE2 H 6.891 0.030 1 1484 126 126 TYR C C 173.023 0.300 1 1485 126 126 TYR CA C 55.453 0.300 1 1486 126 126 TYR CB C 35.235 0.300 1 1487 126 126 TYR CD1 C 130.774 0.300 1 1488 126 126 TYR CD2 C 130.774 0.300 1 1489 126 126 TYR CE1 C 117.351 0.300 1 1490 126 126 TYR CE2 C 117.351 0.300 1 1491 126 126 TYR N N 122.790 0.300 1 1492 127 127 ASP H H 7.857 0.030 1 1493 127 127 ASP HA H 4.196 0.030 1 1494 127 127 ASP HB2 H 2.754 0.030 2 1495 127 127 ASP HB3 H 2.393 0.030 2 1496 127 127 ASP C C 174.609 0.300 1 1497 127 127 ASP CA C 50.581 0.300 1 1498 127 127 ASP CB C 38.623 0.300 1 1499 127 127 ASP N N 128.317 0.300 1 1500 128 128 GLY H H 4.858 0.030 1 1501 128 128 GLY HA2 H 3.718 0.030 2 1502 128 128 GLY HA3 H 3.090 0.030 2 1503 128 128 GLY C C 172.195 0.300 1 1504 128 128 GLY CA C 43.922 0.300 1 1505 129 129 LYS H H 7.242 0.030 1 1506 129 129 LYS HA H 4.084 0.030 1 1507 129 129 LYS HB2 H 2.038 0.030 2 1508 129 129 LYS HB3 H 1.712 0.030 2 1509 129 129 LYS HD2 H 1.726 0.030 2 1510 129 129 LYS HD3 H 2.068 0.030 2 1511 129 129 LYS HE2 H 2.876 0.030 2 1512 129 129 LYS HE3 H 3.141 0.030 2 1513 129 129 LYS HG2 H 1.414 0.030 1 1514 129 129 LYS HG3 H 1.414 0.030 1 1515 129 129 LYS C C 174.043 0.300 1 1516 129 129 LYS CA C 54.212 0.300 1 1517 129 129 LYS CB C 28.935 0.300 1 1518 129 129 LYS CD C 25.954 0.300 1 1519 129 129 LYS CE C 38.232 0.300 1 1520 129 129 LYS CG C 19.922 0.300 1 1521 129 129 LYS N N 118.237 0.300 1 1522 130 130 ASP H H 8.534 0.030 1 1523 130 130 ASP HA H 4.568 0.030 1 1524 130 130 ASP HB2 H 2.518 0.030 2 1525 130 130 ASP HB3 H 2.573 0.030 2 1526 130 130 ASP C C 173.096 0.300 1 1527 130 130 ASP CA C 52.570 0.300 1 1528 130 130 ASP CB C 38.788 0.300 1 1529 130 130 ASP N N 122.564 0.300 1 1530 131 131 TYR H H 8.399 0.030 1 1531 131 131 TYR HA H 4.525 0.030 1 1532 131 131 TYR HB2 H 2.942 0.030 2 1533 131 131 TYR HB3 H 2.853 0.030 2 1534 131 131 TYR HD1 H 7.003 0.030 1 1535 131 131 TYR HD2 H 7.003 0.030 1 1536 131 131 TYR HE1 H 6.536 0.030 1 1537 131 131 TYR HE2 H 6.536 0.030 1 1538 131 131 TYR C C 171.115 0.300 1 1539 131 131 TYR CA C 55.701 0.300 1 1540 131 131 TYR CB C 39.714 0.300 1 1541 131 131 TYR CD1 C 130.908 0.300 1 1542 131 131 TYR CD2 C 130.908 0.300 1 1543 131 131 TYR CE1 C 115.113 0.300 1 1544 131 131 TYR CE2 C 115.113 0.300 1 1545 131 131 TYR N N 123.627 0.300 1 1546 132 132 ASN H H 7.988 0.030 1 1547 132 132 ASN HA H 5.008 0.030 1 1548 132 132 ASN HB2 H 2.770 0.030 2 1549 132 132 ASN HB3 H 2.504 0.030 2 1550 132 132 ASN HD21 H 6.995 0.030 2 1551 132 132 ASN HD22 H 7.766 0.030 2 1552 132 132 ASN C C 171.403 0.300 1 1553 132 132 ASN CA C 46.541 0.300 1 1554 132 132 ASN CB C 36.068 0.300 1 1555 132 132 ASN N N 124.872 0.300 1 1556 132 132 ASN ND2 N 113.453 0.300 1 1557 133 133 PRO HA H 3.831 0.030 1 1558 133 133 PRO HB2 H 2.031 0.030 2 1559 133 133 PRO HB3 H 1.737 0.030 2 1560 133 133 PRO HD2 H 3.764 0.030 2 1561 133 133 PRO HD3 H 3.720 0.030 2 1562 133 133 PRO HG2 H 1.572 0.030 2 1563 133 133 PRO HG3 H 1.950 0.030 2 1564 133 133 PRO C C 175.245 0.300 1 1565 133 133 PRO CA C 61.290 0.300 1 1566 133 133 PRO CB C 30.133 0.300 1 1567 133 133 PRO CD C 48.562 0.300 1 1568 133 133 PRO CG C 24.780 0.300 1 1569 134 134 LEU H H 7.385 0.030 1 1570 134 134 LEU HA H 3.762 0.030 1 1571 134 134 LEU HB2 H 1.473 0.030 2 1572 134 134 LEU HB3 H 1.324 0.030 2 1573 134 134 LEU HD1 H 0.622 0.030 1 1574 134 134 LEU HD2 H 0.615 0.030 1 1575 134 134 LEU HG H 1.291 0.030 1 1576 134 134 LEU C C 176.814 0.300 1 1577 134 134 LEU CA C 54.764 0.300 1 1578 134 134 LEU CB C 38.923 0.300 1 1579 134 134 LEU CD1 C 22.150 0.300 2 1580 134 134 LEU CD2 C 21.163 0.300 2 1581 134 134 LEU CG C 25.063 0.300 1 1582 134 134 LEU N N 118.046 0.300 1 1583 135 135 LEU H H 6.775 0.030 1 1584 135 135 LEU HA H 3.780 0.030 1 1585 135 135 LEU HB2 H 1.323 0.030 1 1586 135 135 LEU HB3 H 1.323 0.030 1 1587 135 135 LEU HD1 H 0.742 0.030 1 1588 135 135 LEU HD2 H 0.669 0.030 1 1589 135 135 LEU HG H 1.324 0.030 1 1590 135 135 LEU C C 177.383 0.300 1 1591 135 135 LEU CA C 54.710 0.300 1 1592 135 135 LEU CB C 38.995 0.300 1 1593 135 135 LEU CD1 C 22.070 0.300 2 1594 135 135 LEU CD2 C 21.204 0.300 2 1595 135 135 LEU CG C 24.445 0.300 1 1596 135 135 LEU N N 118.780 0.300 1 1597 136 136 ALA H H 7.618 0.030 1 1598 136 136 ALA HA H 3.955 0.030 1 1599 136 136 ALA HB H 1.153 0.030 1 1600 136 136 ALA C C 176.042 0.300 1 1601 136 136 ALA CA C 51.766 0.300 1 1602 136 136 ALA CB C 16.946 0.300 1 1603 136 136 ALA N N 118.935 0.300 1 1604 137 137 ARG H H 6.789 0.030 1 1605 137 137 ARG HA H 3.898 0.030 1 1606 137 137 ARG HB2 H 1.351 0.030 2 1607 137 137 ARG HB3 H 1.195 0.030 2 1608 137 137 ARG HD2 H 2.592 0.030 2 1609 137 137 ARG HD3 H 2.076 0.030 2 1610 137 137 ARG HE H 7.024 0.030 1 1611 137 137 ARG HG2 H 0.682 0.030 2 1612 137 137 ARG HG3 H 1.137 0.030 2 1613 137 137 ARG C C 173.817 0.300 1 1614 137 137 ARG CA C 54.439 0.300 1 1615 137 137 ARG CB C 28.410 0.300 1 1616 137 137 ARG CD C 41.374 0.300 1 1617 137 137 ARG CG C 25.394 0.300 1 1618 137 137 ARG N N 112.100 0.300 1 1619 137 137 ARG NE N 83.004 0.300 1 1620 138 138 GLN H H 7.511 0.030 1 1621 138 138 GLN HA H 4.074 0.030 1 1622 138 138 GLN HB2 H 1.978 0.030 1 1623 138 138 GLN HB3 H 1.978 0.030 1 1624 138 138 GLN HE21 H 7.321 0.030 2 1625 138 138 GLN HE22 H 6.656 0.030 2 1626 138 138 GLN HG2 H 2.259 0.030 1 1627 138 138 GLN HG3 H 2.259 0.030 1 1628 138 138 GLN C C 174.381 0.300 1 1629 138 138 GLN CA C 54.410 0.300 1 1630 138 138 GLN CB C 26.547 0.300 1 1631 138 138 GLN CG C 31.603 0.300 1 1632 138 138 GLN N N 118.787 0.300 1 1633 138 138 GLN NE2 N 111.107 0.300 1 1634 139 139 GLY H H 8.167 0.030 1 1635 139 139 GLY HA2 H 3.867 0.030 2 1636 139 139 GLY HA3 H 3.786 0.030 2 1637 139 139 GLY C C 171.817 0.300 1 1638 139 139 GLY CA C 43.249 0.300 1 1639 139 139 GLY N N 108.300 0.300 1 1640 140 140 GLN H H 7.966 0.030 1 1641 140 140 GLN HA H 4.249 0.030 1 1642 140 140 GLN HB2 H 2.046 0.030 2 1643 140 140 GLN HB3 H 1.807 0.030 2 1644 140 140 GLN HE21 H 6.854 0.030 2 1645 140 140 GLN HE22 H 7.425 0.030 2 1646 140 140 GLN HG2 H 2.231 0.030 1 1647 140 140 GLN HG3 H 2.231 0.030 1 1648 140 140 GLN C C 173.095 0.300 1 1649 140 140 GLN CA C 53.455 0.300 1 1650 140 140 GLN CB C 27.498 0.300 1 1651 140 140 GLN CG C 31.595 0.300 1 1652 140 140 GLN N N 118.617 0.300 1 1653 140 140 GLN NE2 N 112.099 0.300 1 1654 141 141 ASP H H 8.354 0.030 1 1655 141 141 ASP HA H 4.510 0.030 1 1656 141 141 ASP HB2 H 2.575 0.030 2 1657 141 141 ASP HB3 H 2.466 0.030 2 1658 141 141 ASP C C 173.525 0.300 1 1659 141 141 ASP CA C 52.005 0.300 1 1660 141 141 ASP CB C 38.811 0.300 1 1661 141 141 ASP N N 120.857 0.300 1 1662 142 142 VAL H H 7.892 0.030 1 1663 142 142 VAL HA H 4.039 0.030 1 1664 142 142 VAL HB H 1.963 0.030 1 1665 142 142 VAL HG1 H 0.811 0.030 1 1666 142 142 VAL HG2 H 0.775 0.030 1 1667 142 142 VAL C C 173.091 0.300 1 1668 142 142 VAL CA C 59.344 0.300 1 1669 142 142 VAL CB C 30.549 0.300 1 1670 142 142 VAL CG1 C 18.880 0.300 2 1671 142 142 VAL CG2 C 17.881 0.300 2 1672 142 142 VAL N N 118.943 0.300 1 1673 143 143 ALA H H 8.225 0.030 1 1674 143 143 ALA HA H 4.488 0.030 1 1675 143 143 ALA HB H 1.233 0.030 1 1676 143 143 ALA C C 172.496 0.300 1 1677 143 143 ALA CA C 47.990 0.300 1 1678 143 143 ALA CB C 15.873 0.300 1 1679 143 143 ALA N N 128.743 0.300 1 1680 144 144 PRO HA H 4.285 0.030 1 1681 144 144 PRO HB2 H 2.165 0.030 2 1682 144 144 PRO HB3 H 1.759 0.030 2 1683 144 144 PRO HD2 H 3.540 0.030 2 1684 144 144 PRO HD3 H 3.701 0.030 2 1685 144 144 PRO HG2 H 1.922 0.030 1 1686 144 144 PRO HG3 H 1.922 0.030 1 1687 144 144 PRO CA C 60.546 0.300 1 1688 144 144 PRO CB C 29.665 0.300 1 1689 144 144 PRO CD C 48.010 0.300 1 1690 144 144 PRO CG C 24.822 0.300 1 1691 145 145 PRO HA H 4.590 0.030 1 1692 145 145 PRO HB2 H 2.221 0.030 2 1693 145 145 PRO HB3 H 1.791 0.030 2 1694 145 145 PRO HD2 H 3.487 0.030 2 1695 145 145 PRO HD3 H 3.542 0.030 2 1696 145 145 PRO HG2 H 1.926 0.030 1 1697 145 145 PRO HG3 H 1.926 0.030 1 1698 145 145 PRO CA C 58.990 0.300 1 1699 145 145 PRO CB C 28.380 0.300 1 1700 145 145 PRO CD C 47.982 0.300 1 1701 145 145 PRO CG C 24.990 0.300 1 1702 146 146 PRO HA H 4.288 0.030 1 1703 146 146 PRO HB2 H 1.737 0.030 2 1704 146 146 PRO HB3 H 2.158 0.030 2 1705 146 146 PRO HD2 H 3.643 0.030 2 1706 146 146 PRO HD3 H 3.729 0.030 2 1707 146 146 PRO C C 174.055 0.300 1 1708 146 146 PRO CA C 60.490 0.300 1 1709 146 146 PRO CB C 29.721 0.300 1 1710 146 146 PRO CD C 48.370 0.300 1 1711 146 146 PRO CG C 24.940 0.300 1 1712 147 147 ASN H H 8.456 0.030 1 1713 147 147 ASN HA H 4.860 0.030 1 1714 147 147 ASN HB2 H 2.733 0.030 2 1715 147 147 ASN HB3 H 2.601 0.030 2 1716 147 147 ASN HD21 H 6.878 0.030 2 1717 147 147 ASN HD22 H 7.620 0.030 2 1718 147 147 ASN C C 171.524 0.300 1 1719 147 147 ASN CA C 48.815 0.300 1 1720 147 147 ASN CB C 36.480 0.300 1 1721 147 147 ASN N N 119.481 0.300 1 1722 147 147 ASN ND2 N 113.576 0.300 1 1723 148 148 PRO HA H 4.269 0.030 1 1724 148 148 PRO HB2 H 2.187 0.030 2 1725 148 148 PRO HB3 H 1.882 0.030 2 1726 148 148 PRO HD2 H 3.638 0.030 2 1727 148 148 PRO HD3 H 3.726 0.030 2 1728 148 148 PRO HG2 H 1.939 0.030 2 1729 148 148 PRO C C 175.282 0.300 1 1730 148 148 PRO CA C 61.661 0.300 1 1731 148 148 PRO CB C 29.638 0.300 1 1732 148 148 PRO CD C 48.374 0.300 1 1733 148 148 PRO CG C 24.918 0.300 1 1734 149 149 GLY H H 8.337 0.030 1 1735 149 149 GLY HA2 H 3.828 0.030 1 1736 149 149 GLY HA3 H 3.828 0.030 1 1737 149 149 GLY C C 171.877 0.300 1 1738 149 149 GLY CA C 43.038 0.300 1 1739 149 149 GLY N N 107.998 0.300 1 1740 150 150 ASP H H 7.928 0.030 1 1741 150 150 ASP HA H 4.495 0.030 1 1742 150 150 ASP HB2 H 2.584 0.030 1 1743 150 150 ASP HB3 H 2.584 0.030 1 1744 150 150 ASP C C 174.029 0.300 1 1745 150 150 ASP CA C 52.216 0.300 1 1746 150 150 ASP CB C 38.747 0.300 1 1747 150 150 ASP N N 119.874 0.300 1 1748 151 151 GLN H H 8.118 0.030 1 1749 151 151 GLN HA H 4.168 0.030 1 1750 151 151 GLN HB2 H 1.827 0.030 2 1751 151 151 GLN HB3 H 1.915 0.030 2 1752 151 151 GLN HE21 H 7.408 0.030 2 1753 151 151 GLN HE22 H 6.767 0.030 2 1754 151 151 GLN HG2 H 2.158 0.030 1 1755 151 151 GLN HG3 H 2.158 0.030 1 1756 151 151 GLN C C 173.281 0.300 1 1757 151 151 GLN CA C 53.445 0.300 1 1758 151 151 GLN CB C 27.042 0.300 1 1759 151 151 GLN CG C 31.452 0.300 1 1760 151 151 GLN N N 119.668 0.300 1 1761 151 151 GLN NE2 N 112.289 0.300 1 1762 152 152 ILE H H 7.972 0.030 1 1763 152 152 ILE HA H 3.991 0.030 1 1764 152 152 ILE HB H 1.663 0.030 1 1765 152 152 ILE HD1 H 0.701 0.030 1 1766 152 152 ILE HG12 H 1.248 0.030 2 1767 152 152 ILE HG13 H 0.997 0.030 2 1768 152 152 ILE HG2 H 0.673 0.030 1 1769 152 152 ILE C C 173.569 0.300 1 1770 152 152 ILE CA C 58.750 0.300 1 1771 152 152 ILE CB C 36.282 0.300 1 1772 152 152 ILE CD1 C 10.432 0.300 1 1773 152 152 ILE CG1 C 24.819 0.300 1 1774 152 152 ILE CG2 C 14.997 0.300 1 1775 152 152 ILE N N 121.305 0.300 1 1776 153 153 PHE H H 8.308 0.030 1 1777 153 153 PHE HA H 4.599 0.030 1 1778 153 153 PHE HB2 H 3.042 0.030 2 1779 153 153 PHE HB3 H 2.919 0.030 2 1780 153 153 PHE HD1 H 7.164 0.030 1 1781 153 153 PHE HD2 H 7.164 0.030 1 1782 153 153 PHE C C 173.252 0.300 1 1783 153 153 PHE CA C 55.323 0.300 1 1784 153 153 PHE CB C 37.341 0.300 1 1785 153 153 PHE CD1 C 129.494 0.300 1 1786 153 153 PHE CD2 C 129.494 0.300 1 1787 153 153 PHE N N 124.297 0.300 1 1788 154 154 SER H H 8.151 0.030 1 1789 154 154 SER HA H 4.356 0.030 1 1790 154 154 SER HB2 H 3.697 0.030 2 1791 154 154 SER C C 171.842 0.300 1 1792 154 154 SER CA C 55.635 0.300 1 1793 154 154 SER CB C 61.644 0.300 1 1794 154 154 SER N N 118.017 0.300 1 1795 155 155 GLY H H 7.695 0.030 1 1796 155 155 GLY HA2 H 3.976 0.030 2 1797 155 155 GLY HA3 H 3.939 0.030 2 1798 155 155 GLY C C 169.435 0.300 1 1799 155 155 GLY CA C 42.290 0.300 1 1800 155 155 GLY N N 110.053 0.300 1 1801 156 156 PRO HA H 4.379 0.030 1 1802 156 156 PRO HB2 H 2.201 0.030 2 1803 156 156 PRO HB3 H 1.875 0.030 2 1804 156 156 PRO HD2 H 3.535 0.030 1 1805 156 156 PRO HD3 H 3.535 0.030 1 1806 156 156 PRO HG2 H 1.919 0.030 1 1807 156 156 PRO HG3 H 1.919 0.030 1 1808 156 156 PRO C C 175.024 0.300 1 1809 156 156 PRO CA C 60.883 0.300 1 1810 156 156 PRO CB C 29.803 0.300 1 1811 156 156 PRO CD C 47.423 0.300 1 1812 156 156 PRO CG C 24.775 0.300 1 1813 157 157 SER H H 8.434 0.030 1 1814 157 157 SER C C 172.302 0.300 1 1815 157 157 SER CA C 55.949 0.300 1 1816 157 157 SER CB C 61.622 0.300 1 1817 157 157 SER N N 115.997 0.300 1 1818 158 158 SER HA H 4.394 0.030 1 1819 158 158 SER HB2 H 3.784 0.030 2 1820 158 158 SER CA C 56.099 0.300 1 1821 158 158 SER CB C 61.539 0.300 1 1822 159 159 GLY H H 7.949 0.030 1 1823 159 159 GLY HA2 H 3.693 0.030 2 1824 159 159 GLY HA3 H 3.642 0.030 2 1825 159 159 GLY CA C 43.851 0.300 1 1826 159 159 GLY N N 116.458 0.300 1 stop_ save_