data_11089 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of Pleckstrin homology domain-containing family A member 6 from human ; _BMRB_accession_number 11089 _BMRB_flat_file_name bmr11089.str _Entry_type original _Submission_date 2010-01-18 _Accession_date 2010-01-19 _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 Li H. . . 2 Sato M. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 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" 700 "13C chemical shifts" 519 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-19 original author . stop_ _Original_release_date 2011-01-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the PH domain of Pleckstrin homology domain-containing family A member 6 from human ; _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 Li H. . . 2 Sato M. . . 3 Koshiba S. . . 4 Watanabe S. . . 5 Harada T. . . 6 Kigawa T. . . 7 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 'Pleckstrin homology domain-containing family A member 6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH 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 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GSSGSSGGKRSHSMKRNPNA PVTKAGWLFKQASSGVKQWN KRWFVLVDRCLFYYKDEKEE SILGSIPLLSFRVAAVQPSD NISRKHTFKAEHAGVRTYFF SAESPEEQEAWIQAMGEAAR VQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 LYS 10 ARG 11 SER 12 HIS 13 SER 14 MET 15 LYS 16 ARG 17 ASN 18 PRO 19 ASN 20 ALA 21 PRO 22 VAL 23 THR 24 LYS 25 ALA 26 GLY 27 TRP 28 LEU 29 PHE 30 LYS 31 GLN 32 ALA 33 SER 34 SER 35 GLY 36 VAL 37 LYS 38 GLN 39 TRP 40 ASN 41 LYS 42 ARG 43 TRP 44 PHE 45 VAL 46 LEU 47 VAL 48 ASP 49 ARG 50 CYS 51 LEU 52 PHE 53 TYR 54 TYR 55 LYS 56 ASP 57 GLU 58 LYS 59 GLU 60 GLU 61 SER 62 ILE 63 LEU 64 GLY 65 SER 66 ILE 67 PRO 68 LEU 69 LEU 70 SER 71 PHE 72 ARG 73 VAL 74 ALA 75 ALA 76 VAL 77 GLN 78 PRO 79 SER 80 ASP 81 ASN 82 ILE 83 SER 84 ARG 85 LYS 86 HIS 87 THR 88 PHE 89 LYS 90 ALA 91 GLU 92 HIS 93 ALA 94 GLY 95 VAL 96 ARG 97 THR 98 TYR 99 PHE 100 PHE 101 SER 102 ALA 103 GLU 104 SER 105 PRO 106 GLU 107 GLU 108 GLN 109 GLU 110 ALA 111 TRP 112 ILE 113 GLN 114 ALA 115 MET 116 GLY 117 GLU 118 ALA 119 ALA 120 ARG 121 VAL 122 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 2YRY "Solution Structure Of The Ph Domain Of Pleckstrin Homology Domain-Containing Family A Member 6 From Human" 100.00 122 100.00 100.00 7.77e-84 DBJ BAA76813 "KIAA0969 protein [Homo sapiens]" 94.26 1091 100.00 100.00 7.79e-74 DBJ BAG09923 "pleckstrin homology domain-containing protein, family A member 6 [synthetic construct]" 94.26 1048 100.00 100.00 6.52e-74 GB AAH54547 "Pleckstrin homology domain containing, family A member 6 [Mus musculus]" 94.26 1173 97.39 100.00 3.32e-72 GB AAI52476 "Pleckstrin homology domain containing, family A member 6 [Homo sapiens]" 94.26 1048 100.00 100.00 6.52e-74 GB AAI67845 "Pleckstrin homology domain containing, family A member 6 [synthetic construct]" 94.26 1048 100.00 100.00 6.27e-74 GB EAW91509 "pleckstrin homology domain containing, family A member 6, isoform CRA_a [Homo sapiens]" 94.26 1152 100.00 100.00 3.96e-73 GB EAW91510 "pleckstrin homology domain containing, family A member 6, isoform CRA_b [Homo sapiens]" 94.26 1048 100.00 100.00 6.78e-74 REF NP_055750 "pleckstrin homology domain-containing family A member 6 [Homo sapiens]" 94.26 1048 100.00 100.00 6.27e-74 REF NP_891846 "pleckstrin homology domain-containing family A member 6 isoform 1 [Mus musculus]" 94.26 1173 97.39 100.00 3.32e-72 REF XP_002808300 "PREDICTED: LOW QUALITY PROTEIN: pleckstrin homology domain-containing family A member 6-like [Macaca mulatta]" 94.26 1048 100.00 100.00 7.12e-74 REF XP_002918242 "PREDICTED: pleckstrin homology domain-containing family A member 6 [Ailuropoda melanoleuca]" 94.26 1141 99.13 99.13 1.02e-71 REF XP_003474853 "PREDICTED: pleckstrin homology domain-containing family A member 6 isoform X3 [Cavia porcellus]" 94.26 1278 98.26 100.00 1.92e-71 SP Q7TQG1 "RecName: Full=Pleckstrin homology domain-containing family A member 6; Short=PH domain-containing family A member 6; AltName: F" 94.26 1173 97.39 100.00 3.32e-72 SP Q9Y2H5 "RecName: Full=Pleckstrin homology domain-containing family A member 6; Short=PH domain-containing family A member 6; AltName: F" 94.26 1048 100.00 100.00 6.27e-74 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 . P060515-01 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.21mM PH domain [U-15N,13C], 20mM d-Tris-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.21 mM '[U-13C; U-15N]' TRIS 20 mM [U-2H] 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM [U-2H] 'sodium azide' 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 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 0.9820 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_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 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 15N-separated NOESY' '3D 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 'PH 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 7 7 GLY HA2 H 3.991 0.030 1 2 7 7 GLY HA3 H 3.991 0.030 1 3 7 7 GLY C C 174.763 0.300 1 4 7 7 GLY CA C 45.491 0.300 1 5 8 8 GLY H H 8.276 0.030 1 6 8 8 GLY HA2 H 3.966 0.030 1 7 8 8 GLY HA3 H 3.966 0.030 1 8 8 8 GLY C C 174.228 0.300 1 9 8 8 GLY CA C 45.174 0.300 1 10 8 8 GLY N N 108.736 0.300 1 11 9 9 LYS H H 8.220 0.030 1 12 9 9 LYS HA H 4.314 0.030 1 13 9 9 LYS HB2 H 1.828 0.030 2 14 9 9 LYS HB3 H 1.746 0.030 2 15 9 9 LYS HG2 H 1.429 0.030 2 16 9 9 LYS C C 176.817 0.300 1 17 9 9 LYS CA C 56.398 0.300 1 18 9 9 LYS CB C 33.003 0.300 1 19 9 9 LYS CD C 29.221 0.300 1 20 9 9 LYS CE C 42.049 0.300 1 21 9 9 LYS CG C 24.780 0.300 1 22 9 9 LYS N N 120.969 0.300 1 23 10 10 ARG H H 8.436 0.030 1 24 10 10 ARG HA H 4.369 0.030 1 25 10 10 ARG HB2 H 1.835 0.030 2 26 10 10 ARG HB3 H 1.758 0.030 2 27 10 10 ARG HD2 H 3.198 0.030 1 28 10 10 ARG HD3 H 3.198 0.030 1 29 10 10 ARG HG2 H 1.621 0.030 1 30 10 10 ARG HG3 H 1.621 0.030 1 31 10 10 ARG C C 176.358 0.300 1 32 10 10 ARG CA C 56.032 0.300 1 33 10 10 ARG CB C 30.865 0.300 1 34 10 10 ARG CD C 43.339 0.300 1 35 10 10 ARG CG C 27.088 0.300 1 36 10 10 ARG N N 122.487 0.300 1 37 12 12 HIS HA H 4.669 0.030 1 38 12 12 HIS HB2 H 3.144 0.030 2 39 12 12 HIS HB3 H 3.070 0.030 2 40 12 12 HIS HD2 H 7.017 0.030 1 41 12 12 HIS HE1 H 7.782 0.030 1 42 12 12 HIS CA C 56.382 0.300 1 43 12 12 HIS CB C 31.268 0.300 1 44 12 12 HIS CE1 C 138.514 0.300 1 45 13 13 SER HA H 4.414 0.030 1 46 13 13 SER HB2 H 3.809 0.030 1 47 13 13 SER HB3 H 3.809 0.030 1 48 13 13 SER C C 174.219 0.300 1 49 13 13 SER CA C 58.263 0.300 1 50 13 13 SER CB C 63.841 0.300 1 51 14 14 MET H H 8.381 0.030 1 52 14 14 MET HA H 4.515 0.030 1 53 14 14 MET HB2 H 1.975 0.030 2 54 14 14 MET HB3 H 2.105 0.030 2 55 14 14 MET HE H 2.092 0.030 1 56 14 14 MET HG2 H 2.575 0.030 1 57 14 14 MET HG3 H 2.575 0.030 1 58 14 14 MET C C 175.436 0.300 1 59 14 14 MET CA C 55.413 0.300 1 60 14 14 MET CB C 33.086 0.300 1 61 14 14 MET CE C 17.168 0.300 1 62 14 14 MET CG C 32.238 0.300 1 63 14 14 MET N N 122.487 0.300 1 64 15 15 LYS H H 8.301 0.030 1 65 15 15 LYS HA H 4.380 0.030 1 66 15 15 LYS HB2 H 1.748 0.030 2 67 15 15 LYS HB3 H 1.670 0.030 2 68 15 15 LYS HD2 H 1.654 0.030 1 69 15 15 LYS HD3 H 1.654 0.030 1 70 15 15 LYS HE2 H 2.975 0.030 1 71 15 15 LYS HE3 H 2.975 0.030 1 72 15 15 LYS HG2 H 1.417 0.030 2 73 15 15 LYS HG3 H 1.348 0.030 2 74 15 15 LYS C C 175.431 0.300 1 75 15 15 LYS CA C 55.378 0.300 1 76 15 15 LYS CB C 34.072 0.300 1 77 15 15 LYS CD C 29.138 0.300 1 78 15 15 LYS CE C 42.049 0.300 1 79 15 15 LYS CG C 24.780 0.300 1 80 15 15 LYS N N 122.059 0.300 1 81 16 16 ARG H H 8.077 0.030 1 82 16 16 ARG HA H 3.990 0.030 1 83 16 16 ARG HB2 H 1.214 0.030 2 84 16 16 ARG HB3 H 0.158 0.030 2 85 16 16 ARG HD2 H 2.300 0.030 2 86 16 16 ARG HD3 H 2.575 0.030 2 87 16 16 ARG HE H 7.029 0.030 1 88 16 16 ARG HG2 H 0.983 0.030 2 89 16 16 ARG HG3 H 0.823 0.030 2 90 16 16 ARG C C 175.493 0.300 1 91 16 16 ARG CA C 55.026 0.300 1 92 16 16 ARG CB C 30.592 0.300 1 93 16 16 ARG CD C 43.720 0.300 1 94 16 16 ARG CG C 26.655 0.300 1 95 16 16 ARG N N 123.841 0.300 1 96 16 16 ARG NE N 83.388 0.300 1 97 17 17 ASN H H 9.113 0.030 1 98 17 17 ASN HA H 4.814 0.030 1 99 17 17 ASN HB2 H 2.986 0.030 2 100 17 17 ASN HB3 H 2.941 0.030 2 101 17 17 ASN HD21 H 7.170 0.030 2 102 17 17 ASN HD22 H 7.988 0.030 2 103 17 17 ASN C C 175.486 0.300 1 104 17 17 ASN CA C 50.558 0.300 1 105 17 17 ASN CB C 38.513 0.300 1 106 17 17 ASN N N 128.955 0.300 1 107 17 17 ASN ND2 N 112.963 0.300 1 108 18 18 PRO HA H 4.249 0.030 1 109 18 18 PRO HB2 H 1.940 0.030 2 110 18 18 PRO HB3 H 2.272 0.030 2 111 18 18 PRO HD2 H 4.055 0.030 2 112 18 18 PRO HD3 H 3.938 0.030 2 113 18 18 PRO HG2 H 2.030 0.030 2 114 18 18 PRO HG3 H 1.923 0.030 2 115 18 18 PRO C C 176.564 0.300 1 116 18 18 PRO CA C 64.280 0.300 1 117 18 18 PRO CB C 32.263 0.300 1 118 18 18 PRO CD C 51.213 0.300 1 119 18 18 PRO CG C 26.836 0.300 1 120 19 19 ASN H H 8.056 0.030 1 121 19 19 ASN HA H 4.706 0.030 1 122 19 19 ASN HB2 H 2.608 0.030 2 123 19 19 ASN HB3 H 2.894 0.030 2 124 19 19 ASN HD21 H 7.006 0.030 2 125 19 19 ASN HD22 H 7.660 0.030 2 126 19 19 ASN C C 174.758 0.300 1 127 19 19 ASN CA C 53.021 0.300 1 128 19 19 ASN CB C 39.248 0.300 1 129 19 19 ASN N N 114.394 0.300 1 130 19 19 ASN ND2 N 113.898 0.300 1 131 20 20 ALA H H 7.161 0.030 1 132 20 20 ALA HA H 4.614 0.030 1 133 20 20 ALA HB H 1.385 0.030 1 134 20 20 ALA C C 175.123 0.300 1 135 20 20 ALA CA C 50.031 0.300 1 136 20 20 ALA CB C 19.000 0.300 1 137 20 20 ALA N N 124.825 0.300 1 138 21 21 PRO HA H 4.403 0.030 1 139 21 21 PRO HB2 H 1.840 0.030 2 140 21 21 PRO HB3 H 2.226 0.030 2 141 21 21 PRO HD2 H 3.838 0.030 2 142 21 21 PRO HD3 H 3.723 0.030 2 143 21 21 PRO HG2 H 2.045 0.030 1 144 21 21 PRO HG3 H 2.045 0.030 1 145 21 21 PRO C C 176.200 0.300 1 146 21 21 PRO CA C 62.310 0.300 1 147 21 21 PRO CB C 32.099 0.300 1 148 21 21 PRO CD C 50.572 0.300 1 149 21 21 PRO CG C 27.289 0.300 1 150 22 22 VAL H H 8.575 0.030 1 151 22 22 VAL HA H 3.920 0.030 1 152 22 22 VAL HB H 1.946 0.030 1 153 22 22 VAL HG1 H 0.905 0.030 1 154 22 22 VAL HG2 H 0.815 0.030 1 155 22 22 VAL C C 177.364 0.300 1 156 22 22 VAL CA C 62.747 0.300 1 157 22 22 VAL CB C 33.068 0.300 1 158 22 22 VAL CG1 C 21.688 0.300 2 159 22 22 VAL CG2 C 22.184 0.300 2 160 22 22 VAL N N 122.889 0.300 1 161 23 23 THR H H 9.077 0.030 1 162 23 23 THR HA H 4.044 0.030 1 163 23 23 THR HB H 3.819 0.030 1 164 23 23 THR HG2 H 1.188 0.030 1 165 23 23 THR C C 173.982 0.300 1 166 23 23 THR CA C 65.652 0.300 1 167 23 23 THR CB C 69.004 0.300 1 168 23 23 THR CG2 C 22.165 0.300 1 169 23 23 THR N N 126.154 0.300 1 170 24 24 LYS H H 7.264 0.030 1 171 24 24 LYS HA H 4.047 0.030 1 172 24 24 LYS HB2 H 0.674 0.030 2 173 24 24 LYS HB3 H 1.209 0.030 2 174 24 24 LYS HD2 H -0.513 0.030 2 175 24 24 LYS HD3 H 0.697 0.030 2 176 24 24 LYS HE2 H 1.543 0.030 2 177 24 24 LYS HE3 H 1.015 0.030 2 178 24 24 LYS HG2 H 0.701 0.030 2 179 24 24 LYS HG3 H -0.205 0.030 2 180 24 24 LYS C C 171.387 0.300 1 181 24 24 LYS CA C 56.434 0.300 1 182 24 24 LYS CB C 35.117 0.300 1 183 24 24 LYS CD C 28.398 0.300 1 184 24 24 LYS CE C 40.058 0.300 1 185 24 24 LYS CG C 24.944 0.300 1 186 24 24 LYS N N 120.214 0.300 1 187 25 25 ALA H H 8.112 0.030 1 188 25 25 ALA HA H 5.515 0.030 1 189 25 25 ALA HB H 1.210 0.030 1 190 25 25 ALA C C 176.700 0.300 1 191 25 25 ALA CA C 50.241 0.300 1 192 25 25 ALA CB C 23.253 0.300 1 193 25 25 ALA N N 127.492 0.300 1 194 26 26 GLY H H 8.490 0.030 1 195 26 26 GLY HA2 H 3.408 0.030 2 196 26 26 GLY HA3 H 4.339 0.030 2 197 26 26 GLY C C 171.137 0.300 1 198 26 26 GLY CA C 45.753 0.300 1 199 26 26 GLY N N 109.892 0.300 1 200 27 27 TRP H H 8.780 0.030 1 201 27 27 TRP HA H 5.459 0.030 1 202 27 27 TRP HB2 H 2.987 0.030 2 203 27 27 TRP HB3 H 3.338 0.030 2 204 27 27 TRP HD1 H 7.775 0.030 1 205 27 27 TRP HE1 H 10.519 0.030 1 206 27 27 TRP HE3 H 7.595 0.030 1 207 27 27 TRP HH2 H 7.432 0.030 1 208 27 27 TRP HZ2 H 7.705 0.030 1 209 27 27 TRP HZ3 H 7.126 0.030 1 210 27 27 TRP C C 177.778 0.300 1 211 27 27 TRP CA C 57.208 0.300 1 212 27 27 TRP CB C 31.194 0.300 1 213 27 27 TRP CD1 C 128.788 0.300 1 214 27 27 TRP CE3 C 120.698 0.300 1 215 27 27 TRP CH2 C 124.398 0.300 1 216 27 27 TRP CZ2 C 115.312 0.300 1 217 27 27 TRP CZ3 C 121.849 0.300 1 218 27 27 TRP N N 119.848 0.300 1 219 27 27 TRP NE1 N 130.908 0.300 1 220 28 28 LEU H H 9.282 0.030 1 221 28 28 LEU HA H 4.748 0.030 1 222 28 28 LEU HB2 H 0.840 0.030 2 223 28 28 LEU HB3 H 1.259 0.030 2 224 28 28 LEU HD1 H -1.305 0.030 1 225 28 28 LEU HD2 H 0.357 0.030 1 226 28 28 LEU HG H 0.734 0.030 1 227 28 28 LEU C C 176.172 0.300 1 228 28 28 LEU CA C 54.639 0.300 1 229 28 28 LEU CB C 47.544 0.300 1 230 28 28 LEU CD1 C 22.697 0.300 2 231 28 28 LEU CD2 C 23.669 0.300 2 232 28 28 LEU CG C 26.342 0.300 1 233 28 28 LEU N N 120.809 0.300 1 234 29 29 PHE H H 9.085 0.030 1 235 29 29 PHE HA H 5.417 0.030 1 236 29 29 PHE HB2 H 2.900 0.030 2 237 29 29 PHE HB3 H 3.280 0.030 2 238 29 29 PHE HD1 H 7.128 0.030 1 239 29 29 PHE HD2 H 7.128 0.030 1 240 29 29 PHE HE1 H 7.400 0.030 1 241 29 29 PHE HE2 H 7.400 0.030 1 242 29 29 PHE HZ H 7.368 0.030 1 243 29 29 PHE C C 175.551 0.300 1 244 29 29 PHE CA C 57.560 0.300 1 245 29 29 PHE CB C 40.699 0.300 1 246 29 29 PHE CD1 C 131.818 0.300 1 247 29 29 PHE CD2 C 131.818 0.300 1 248 29 29 PHE CE1 C 131.928 0.300 1 249 29 29 PHE CE2 C 131.928 0.300 1 250 29 29 PHE CZ C 130.328 0.300 1 251 29 29 PHE N N 118.170 0.300 1 252 30 30 LYS H H 9.441 0.030 1 253 30 30 LYS HA H 5.241 0.030 1 254 30 30 LYS HB2 H 1.782 0.030 2 255 30 30 LYS HB3 H 1.746 0.030 2 256 30 30 LYS HD2 H 1.158 0.030 2 257 30 30 LYS HD3 H 1.428 0.030 2 258 30 30 LYS HE2 H 2.668 0.030 2 259 30 30 LYS HE3 H 2.860 0.030 2 260 30 30 LYS HG2 H 1.148 0.030 2 261 30 30 LYS HG3 H 1.386 0.030 2 262 30 30 LYS C C 175.830 0.300 1 263 30 30 LYS CA C 54.076 0.300 1 264 30 30 LYS CB C 35.857 0.300 1 265 30 30 LYS CD C 29.303 0.300 1 266 30 30 LYS CE C 41.283 0.300 1 267 30 30 LYS CG C 23.440 0.300 1 268 30 30 LYS N N 122.869 0.300 1 269 31 31 GLN H H 8.019 0.030 1 270 31 31 GLN HA H 3.565 0.030 1 271 31 31 GLN HB2 H 1.494 0.030 2 272 31 31 GLN HB3 H 0.116 0.030 2 273 31 31 GLN HE21 H 6.293 0.030 2 274 31 31 GLN HE22 H 6.528 0.030 2 275 31 31 GLN HG2 H 1.725 0.030 2 276 31 31 GLN HG3 H 0.830 0.030 2 277 31 31 GLN C C 176.015 0.300 1 278 31 31 GLN CA C 56.482 0.300 1 279 31 31 GLN CB C 28.867 0.300 1 280 31 31 GLN CG C 34.319 0.300 1 281 31 31 GLN N N 130.486 0.300 1 282 31 31 GLN NE2 N 109.945 0.300 1 283 32 32 ALA H H 8.644 0.030 1 284 32 32 ALA HA H 4.335 0.030 1 285 32 32 ALA HB H 1.451 0.030 1 286 32 32 ALA C C 177.788 0.300 1 287 32 32 ALA CA C 53.021 0.300 1 288 32 32 ALA CB C 19.928 0.300 1 289 32 32 ALA N N 131.578 0.300 1 290 35 35 GLY HA2 H 3.769 0.030 2 291 35 35 GLY HA3 H 4.073 0.030 2 292 35 35 GLY C C 174.476 0.300 1 293 35 35 GLY CA C 45.526 0.300 1 294 36 36 VAL H H 7.950 0.030 1 295 36 36 VAL HA H 4.029 0.030 1 296 36 36 VAL HB H 2.112 0.030 1 297 36 36 VAL HG1 H 0.902 0.030 1 298 36 36 VAL HG2 H 0.910 0.030 1 299 36 36 VAL C C 176.345 0.300 1 300 36 36 VAL CA C 62.310 0.300 1 301 36 36 VAL CB C 32.099 0.300 1 302 36 36 VAL CG1 C 21.183 0.300 2 303 36 36 VAL CG2 C 20.168 0.300 2 304 36 36 VAL N N 119.220 0.300 1 305 37 37 LYS H H 8.396 0.030 1 306 37 37 LYS HA H 4.032 0.030 1 307 37 37 LYS HB2 H 1.755 0.030 2 308 37 37 LYS HB3 H 1.720 0.030 2 309 37 37 LYS HD2 H 1.588 0.030 1 310 37 37 LYS HD3 H 1.588 0.030 1 311 37 37 LYS HE2 H 2.930 0.030 1 312 37 37 LYS HE3 H 2.930 0.030 1 313 37 37 LYS HG2 H 1.236 0.030 2 314 37 37 LYS HG3 H 1.355 0.030 2 315 37 37 LYS C C 175.599 0.300 1 316 37 37 LYS CA C 56.821 0.300 1 317 37 37 LYS CB C 30.536 0.300 1 318 37 37 LYS CD C 29.221 0.300 1 319 37 37 LYS CE C 42.214 0.300 1 320 37 37 LYS CG C 24.927 0.300 1 321 37 37 LYS N N 123.288 0.300 1 322 38 38 GLN H H 7.801 0.030 1 323 38 38 GLN HA H 4.497 0.030 1 324 38 38 GLN HB2 H 1.974 0.030 1 325 38 38 GLN HB3 H 1.974 0.030 1 326 38 38 GLN HE21 H 7.620 0.030 2 327 38 38 GLN HE22 H 6.896 0.030 2 328 38 38 GLN HG2 H 2.266 0.030 1 329 38 38 GLN HG3 H 2.266 0.030 1 330 38 38 GLN C C 174.216 0.300 1 331 38 38 GLN CA C 55.343 0.300 1 332 38 38 GLN CB C 30.674 0.300 1 333 38 38 GLN CG C 33.509 0.300 1 334 38 38 GLN N N 120.446 0.300 1 335 38 38 GLN NE2 N 112.561 0.300 1 336 39 39 TRP H H 8.812 0.030 1 337 39 39 TRP HA H 4.898 0.030 1 338 39 39 TRP HB2 H 2.997 0.030 1 339 39 39 TRP HB3 H 2.997 0.030 1 340 39 39 TRP HD1 H 7.225 0.030 1 341 39 39 TRP HE1 H 10.127 0.030 1 342 39 39 TRP HE3 H 7.027 0.030 1 343 39 39 TRP HH2 H 6.735 0.030 1 344 39 39 TRP HZ2 H 7.240 0.030 1 345 39 39 TRP HZ3 H 6.558 0.030 1 346 39 39 TRP C C 175.453 0.300 1 347 39 39 TRP CA C 56.082 0.300 1 348 39 39 TRP CB C 30.717 0.300 1 349 39 39 TRP CD1 C 127.845 0.300 1 350 39 39 TRP CE3 C 119.493 0.300 1 351 39 39 TRP CH2 C 123.620 0.300 1 352 39 39 TRP CZ2 C 114.381 0.300 1 353 39 39 TRP CZ3 C 121.829 0.300 1 354 39 39 TRP N N 123.131 0.300 1 355 39 39 TRP NE1 N 130.480 0.300 1 356 40 40 ASN H H 8.907 0.030 1 357 40 40 ASN HA H 5.333 0.030 1 358 40 40 ASN HB2 H 2.515 0.030 2 359 40 40 ASN HB3 H 2.805 0.030 2 360 40 40 ASN HD21 H 7.918 0.030 2 361 40 40 ASN HD22 H 7.184 0.030 2 362 40 40 ASN C C 173.825 0.300 1 363 40 40 ASN CA C 52.191 0.300 1 364 40 40 ASN CB C 41.477 0.300 1 365 40 40 ASN N N 120.350 0.300 1 366 40 40 ASN ND2 N 114.183 0.300 1 367 41 41 LYS H H 9.311 0.030 1 368 41 41 LYS HA H 4.202 0.030 1 369 41 41 LYS HB2 H 1.646 0.030 2 370 41 41 LYS HB3 H 1.017 0.030 2 371 41 41 LYS HD2 H 1.179 0.030 2 372 41 41 LYS HD3 H 1.067 0.030 2 373 41 41 LYS HE2 H 1.910 0.030 2 374 41 41 LYS HE3 H 2.126 0.030 2 375 41 41 LYS HG2 H 1.183 0.030 2 376 41 41 LYS HG3 H 0.290 0.030 2 377 41 41 LYS C C 176.357 0.300 1 378 41 41 LYS CA C 57.208 0.300 1 379 41 41 LYS CB C 32.597 0.300 1 380 41 41 LYS CD C 29.303 0.300 1 381 41 41 LYS CE C 41.147 0.300 1 382 41 41 LYS CG C 25.764 0.300 1 383 41 41 LYS N N 128.138 0.300 1 384 42 42 ARG H H 9.452 0.030 1 385 42 42 ARG HA H 5.076 0.030 1 386 42 42 ARG HB2 H 1.884 0.030 2 387 42 42 ARG HB3 H 1.982 0.030 2 388 42 42 ARG HD2 H 2.948 0.030 2 389 42 42 ARG HD3 H 3.755 0.030 2 390 42 42 ARG HG2 H 1.640 0.030 2 391 42 42 ARG HG3 H 1.542 0.030 2 392 42 42 ARG C C 172.415 0.300 1 393 42 42 ARG CA C 53.408 0.300 1 394 42 42 ARG CB C 34.271 0.300 1 395 42 42 ARG CD C 43.720 0.300 1 396 42 42 ARG CG C 26.518 0.300 1 397 42 42 ARG N N 127.731 0.300 1 398 43 43 TRP H H 8.096 0.030 1 399 43 43 TRP HA H 4.408 0.030 1 400 43 43 TRP HB2 H 1.622 0.030 2 401 43 43 TRP HB3 H 2.445 0.030 2 402 43 43 TRP HD1 H 6.389 0.030 1 403 43 43 TRP HE1 H 10.549 0.030 1 404 43 43 TRP HE3 H 5.157 0.030 1 405 43 43 TRP HH2 H 6.970 0.030 1 406 43 43 TRP HZ2 H 7.159 0.030 1 407 43 43 TRP HZ3 H 6.597 0.030 1 408 43 43 TRP C C 174.412 0.300 1 409 43 43 TRP CA C 56.011 0.300 1 410 43 43 TRP CB C 29.767 0.300 1 411 43 43 TRP CD1 C 127.177 0.300 1 412 43 43 TRP CE3 C 119.329 0.300 1 413 43 43 TRP CH2 C 123.405 0.300 1 414 43 43 TRP CZ2 C 114.607 0.300 1 415 43 43 TRP CZ3 C 121.318 0.300 1 416 43 43 TRP N N 123.944 0.300 1 417 43 43 TRP NE1 N 130.154 0.300 1 418 44 44 PHE H H 8.734 0.030 1 419 44 44 PHE HA H 4.948 0.030 1 420 44 44 PHE HB2 H 2.261 0.030 2 421 44 44 PHE HB3 H 2.720 0.030 2 422 44 44 PHE HD1 H 6.961 0.030 1 423 44 44 PHE HD2 H 6.961 0.030 1 424 44 44 PHE HE1 H 6.764 0.030 1 425 44 44 PHE HE2 H 6.764 0.030 1 426 44 44 PHE HZ H 6.392 0.030 1 427 44 44 PHE C C 174.469 0.300 1 428 44 44 PHE CA C 57.137 0.300 1 429 44 44 PHE CB C 42.963 0.300 1 430 44 44 PHE CD1 C 132.159 0.300 1 431 44 44 PHE CD2 C 132.159 0.300 1 432 44 44 PHE CE1 C 130.981 0.300 1 433 44 44 PHE CE2 C 130.981 0.300 1 434 44 44 PHE CZ C 127.432 0.300 1 435 44 44 PHE N N 127.499 0.300 1 436 45 45 VAL H H 9.190 0.030 1 437 45 45 VAL HA H 4.536 0.030 1 438 45 45 VAL HB H 2.132 0.030 1 439 45 45 VAL HG1 H 0.970 0.030 1 440 45 45 VAL HG2 H 0.901 0.030 1 441 45 45 VAL C C 174.318 0.300 1 442 45 45 VAL CA C 61.711 0.300 1 443 45 45 VAL CB C 36.114 0.300 1 444 45 45 VAL CG1 C 22.660 0.300 2 445 45 45 VAL CG2 C 22.002 0.300 2 446 45 45 VAL N N 117.665 0.300 1 447 46 46 LEU H H 9.328 0.030 1 448 46 46 LEU HA H 5.331 0.030 1 449 46 46 LEU HB2 H 2.051 0.030 2 450 46 46 LEU HB3 H 1.387 0.030 2 451 46 46 LEU HD1 H 0.670 0.030 1 452 46 46 LEU HD2 H 0.723 0.030 1 453 46 46 LEU HG H 1.528 0.030 1 454 46 46 LEU C C 174.469 0.300 1 455 46 46 LEU CA C 53.830 0.300 1 456 46 46 LEU CB C 44.187 0.300 1 457 46 46 LEU CD1 C 23.698 0.300 2 458 46 46 LEU CD2 C 27.167 0.300 2 459 46 46 LEU CG C 27.770 0.300 1 460 46 46 LEU N N 129.880 0.300 1 461 47 47 VAL H H 9.055 0.030 1 462 47 47 VAL HA H 4.561 0.030 1 463 47 47 VAL HB H 2.206 0.030 1 464 47 47 VAL HG1 H 1.012 0.030 1 465 47 47 VAL HG2 H 1.047 0.030 1 466 47 47 VAL CA C 60.955 0.300 1 467 47 47 VAL CB C 35.037 0.300 1 468 47 47 VAL CG1 C 22.066 0.300 2 469 47 47 VAL CG2 C 21.258 0.300 2 470 48 48 ASP H H 9.705 0.030 1 471 48 48 ASP HA H 4.268 0.030 1 472 48 48 ASP HB2 H 3.167 0.030 2 473 48 48 ASP HB3 H 2.616 0.030 2 474 48 48 ASP CA C 55.984 0.300 1 475 48 48 ASP CB C 39.829 0.300 1 476 48 48 ASP N N 129.225 0.300 1 477 49 49 ARG H H 8.707 0.030 1 478 49 49 ARG HA H 4.165 0.030 1 479 49 49 ARG HD2 H 3.265 0.030 1 480 49 49 ARG HD3 H 3.265 0.030 1 481 49 49 ARG HG2 H 1.635 0.030 1 482 49 49 ARG HG3 H 1.635 0.030 1 483 49 49 ARG CB C 31.395 0.300 1 484 49 49 ARG CD C 43.988 0.300 1 485 49 49 ARG CG C 28.058 0.300 1 486 50 50 CYS H H 8.233 0.030 1 487 50 50 CYS HA H 4.711 0.030 1 488 50 50 CYS HB2 H 2.611 0.030 1 489 50 50 CYS HB3 H 2.611 0.030 1 490 50 50 CYS C C 171.254 0.300 1 491 50 50 CYS CA C 57.524 0.300 1 492 50 50 CYS CB C 29.980 0.300 1 493 50 50 CYS N N 120.327 0.300 1 494 51 51 LEU H H 8.127 0.030 1 495 51 51 LEU HA H 5.014 0.030 1 496 51 51 LEU HB2 H 1.423 0.030 2 497 51 51 LEU HB3 H 1.671 0.030 2 498 51 51 LEU HD1 H 0.643 0.030 1 499 51 51 LEU HD2 H 0.772 0.030 1 500 51 51 LEU HG H 1.548 0.030 1 501 51 51 LEU C C 175.107 0.300 1 502 51 51 LEU CA C 52.944 0.300 1 503 51 51 LEU CB C 44.434 0.300 1 504 51 51 LEU CD1 C 25.361 0.300 2 505 51 51 LEU CD2 C 25.100 0.300 2 506 51 51 LEU CG C 26.589 0.300 1 507 51 51 LEU N N 126.889 0.300 1 508 52 52 PHE H H 9.480 0.030 1 509 52 52 PHE HA H 4.818 0.030 1 510 52 52 PHE HB2 H 2.727 0.030 2 511 52 52 PHE HB3 H 3.011 0.030 2 512 52 52 PHE HD1 H 7.165 0.030 1 513 52 52 PHE HD2 H 7.165 0.030 1 514 52 52 PHE HE1 H 7.291 0.030 1 515 52 52 PHE HE2 H 7.291 0.030 1 516 52 52 PHE HZ H 7.131 0.030 1 517 52 52 PHE C C 174.535 0.300 1 518 52 52 PHE CA C 57.489 0.300 1 519 52 52 PHE CB C 42.460 0.300 1 520 52 52 PHE CD1 C 132.124 0.300 1 521 52 52 PHE CD2 C 132.124 0.300 1 522 52 52 PHE CE1 C 131.016 0.300 1 523 52 52 PHE CE2 C 131.016 0.300 1 524 52 52 PHE CZ C 130.188 0.300 1 525 52 52 PHE N N 124.912 0.300 1 526 53 53 TYR H H 7.641 0.030 1 527 53 53 TYR HA H 5.757 0.030 1 528 53 53 TYR HB2 H 1.459 0.030 2 529 53 53 TYR HB3 H 1.677 0.030 2 530 53 53 TYR HD1 H 6.273 0.030 1 531 53 53 TYR HD2 H 6.273 0.030 1 532 53 53 TYR HE1 H 6.523 0.030 1 533 53 53 TYR HE2 H 6.523 0.030 1 534 53 53 TYR C C 173.515 0.300 1 535 53 53 TYR CA C 54.815 0.300 1 536 53 53 TYR CB C 39.467 0.300 1 537 53 53 TYR CD1 C 133.554 0.300 1 538 53 53 TYR CD2 C 133.554 0.300 1 539 53 53 TYR CE1 C 117.197 0.300 1 540 53 53 TYR CE2 C 117.197 0.300 1 541 53 53 TYR N N 114.407 0.300 1 542 54 54 TYR H H 9.178 0.030 1 543 54 54 TYR HA H 4.871 0.030 1 544 54 54 TYR HB2 H 3.062 0.030 2 545 54 54 TYR HB3 H 3.499 0.030 2 546 54 54 TYR HD1 H 7.024 0.030 1 547 54 54 TYR HD2 H 7.024 0.030 1 548 54 54 TYR HE1 H 6.487 0.030 1 549 54 54 TYR HE2 H 6.487 0.030 1 550 54 54 TYR C C 175.542 0.300 1 551 54 54 TYR CA C 56.821 0.300 1 552 54 54 TYR CB C 44.237 0.300 1 553 54 54 TYR CE1 C 118.075 0.300 1 554 54 54 TYR CE2 C 118.075 0.300 1 555 54 54 TYR N N 117.625 0.300 1 556 55 55 LYS H H 9.638 0.030 1 557 55 55 LYS HA H 4.176 0.030 1 558 55 55 LYS HB2 H 2.043 0.030 2 559 55 55 LYS HB3 H 1.935 0.030 2 560 55 55 LYS HD2 H 1.849 0.030 2 561 55 55 LYS HD3 H 1.781 0.030 2 562 55 55 LYS HE2 H 3.100 0.030 1 563 55 55 LYS HE3 H 3.100 0.030 1 564 55 55 LYS HG2 H 1.638 0.030 2 565 55 55 LYS HG3 H 1.549 0.030 2 566 55 55 LYS C C 176.196 0.300 1 567 55 55 LYS CA C 59.847 0.300 1 568 55 55 LYS CB C 33.620 0.300 1 569 55 55 LYS CD C 29.529 0.300 1 570 55 55 LYS CE C 42.214 0.300 1 571 55 55 LYS CG C 25.438 0.300 1 572 55 55 LYS N N 121.720 0.300 1 573 56 56 ASP H H 7.752 0.030 1 574 56 56 ASP HA H 4.695 0.030 1 575 56 56 ASP HB2 H 3.214 0.030 1 576 56 56 ASP HB3 H 3.214 0.030 1 577 56 56 ASP C C 174.025 0.300 1 578 56 56 ASP CA C 53.197 0.300 1 579 56 56 ASP CB C 41.349 0.300 1 580 56 56 ASP N N 110.453 0.300 1 581 57 57 GLU H H 8.717 0.030 1 582 57 57 GLU HA H 1.734 0.030 1 583 57 57 GLU HB2 H 0.713 0.030 2 584 57 57 GLU HB3 H 0.571 0.030 2 585 57 57 GLU HG2 H 1.067 0.030 2 586 57 57 GLU HG3 H 1.406 0.030 2 587 57 57 GLU C C 176.953 0.300 1 588 57 57 GLU CA C 56.785 0.300 1 589 57 57 GLU CB C 26.954 0.300 1 590 57 57 GLU CG C 35.259 0.300 1 591 57 57 GLU N N 115.189 0.300 1 592 58 58 LYS H H 8.241 0.030 1 593 58 58 LYS HA H 3.834 0.030 1 594 58 58 LYS HB2 H 1.665 0.030 2 595 58 58 LYS HB3 H 1.879 0.030 2 596 58 58 LYS HD2 H 1.565 0.030 1 597 58 58 LYS HD3 H 1.565 0.030 1 598 58 58 LYS HE2 H 2.888 0.030 1 599 58 58 LYS HE3 H 2.888 0.030 1 600 58 58 LYS HG2 H 1.322 0.030 2 601 58 58 LYS HG3 H 1.235 0.030 2 602 58 58 LYS C C 177.051 0.300 1 603 58 58 LYS CA C 57.454 0.300 1 604 58 58 LYS CB C 31.112 0.300 1 605 58 58 LYS CD C 28.727 0.300 1 606 58 58 LYS CE C 42.131 0.300 1 607 58 58 LYS CG C 25.520 0.300 1 608 58 58 LYS N N 120.816 0.300 1 609 59 59 GLU H H 7.715 0.030 1 610 59 59 GLU HA H 2.991 0.030 1 611 59 59 GLU HB2 H 1.501 0.030 2 612 59 59 GLU HB3 H 1.098 0.030 2 613 59 59 GLU HG2 H 0.841 0.030 2 614 59 59 GLU HG3 H 1.626 0.030 2 615 59 59 GLU C C 176.024 0.300 1 616 59 59 GLU CA C 56.785 0.300 1 617 59 59 GLU CB C 26.096 0.300 1 618 59 59 GLU CG C 36.122 0.300 1 619 59 59 GLU N N 113.320 0.300 1 620 60 60 GLU H H 8.826 0.030 1 621 60 60 GLU HA H 3.986 0.030 1 622 60 60 GLU HB2 H 2.025 0.030 2 623 60 60 GLU HB3 H 1.959 0.030 2 624 60 60 GLU HG2 H 2.207 0.030 2 625 60 60 GLU HG3 H 2.148 0.030 2 626 60 60 GLU C C 177.702 0.300 1 627 60 60 GLU CA C 59.418 0.300 1 628 60 60 GLU CB C 30.691 0.300 1 629 60 60 GLU CG C 37.362 0.300 1 630 60 60 GLU N N 118.101 0.300 1 631 61 61 SER H H 7.500 0.030 1 632 61 61 SER HA H 4.710 0.030 1 633 61 61 SER HB2 H 3.764 0.030 2 634 61 61 SER HB3 H 3.714 0.030 2 635 61 61 SER C C 173.539 0.300 1 636 61 61 SER CA C 57.067 0.300 1 637 61 61 SER CB C 64.478 0.300 1 638 61 61 SER N N 109.964 0.300 1 639 62 62 ILE H H 8.789 0.030 1 640 62 62 ILE HA H 3.221 0.030 1 641 62 62 ILE HB H 1.599 0.030 1 642 62 62 ILE HD1 H 0.821 0.030 1 643 62 62 ILE HG12 H 0.663 0.030 2 644 62 62 ILE HG13 H 1.574 0.030 2 645 62 62 ILE HG2 H 0.686 0.030 1 646 62 62 ILE C C 176.384 0.300 1 647 62 62 ILE CA C 62.789 0.300 1 648 62 62 ILE CB C 38.961 0.300 1 649 62 62 ILE CD1 C 14.550 0.300 1 650 62 62 ILE CG1 C 29.714 0.300 1 651 62 62 ILE CG2 C 18.186 0.300 1 652 62 62 ILE N N 127.521 0.300 1 653 63 63 LEU H H 8.820 0.030 1 654 63 63 LEU HA H 4.244 0.030 1 655 63 63 LEU HB2 H 1.298 0.030 1 656 63 63 LEU HB3 H 1.298 0.030 1 657 63 63 LEU HD1 H 0.879 0.030 1 658 63 63 LEU HD2 H 0.844 0.030 1 659 63 63 LEU HG H 1.744 0.030 1 660 63 63 LEU C C 176.973 0.300 1 661 63 63 LEU CA C 54.991 0.300 1 662 63 63 LEU CB C 42.367 0.300 1 663 63 63 LEU CD1 C 25.573 0.300 2 664 63 63 LEU CD2 C 21.984 0.300 2 665 63 63 LEU CG C 27.312 0.300 1 666 63 63 LEU N N 129.494 0.300 1 667 64 64 GLY H H 6.443 0.030 1 668 64 64 GLY HA2 H 3.352 0.030 2 669 64 64 GLY HA3 H 3.730 0.030 2 670 64 64 GLY C C 169.186 0.300 1 671 64 64 GLY CA C 44.858 0.300 1 672 64 64 GLY N N 105.710 0.300 1 673 65 65 SER H H 8.004 0.030 1 674 65 65 SER HA H 5.081 0.030 1 675 65 65 SER HB2 H 3.048 0.030 2 676 65 65 SER HB3 H 3.469 0.030 2 677 65 65 SER C C 173.712 0.300 1 678 65 65 SER CA C 55.835 0.300 1 679 65 65 SER CB C 66.441 0.300 1 680 65 65 SER N N 110.924 0.300 1 681 66 66 ILE H H 8.949 0.030 1 682 66 66 ILE HA H 4.318 0.030 1 683 66 66 ILE HB H 1.586 0.030 1 684 66 66 ILE HD1 H 0.275 0.030 1 685 66 66 ILE HG12 H 0.705 0.030 2 686 66 66 ILE HG13 H 1.275 0.030 2 687 66 66 ILE HG2 H 0.191 0.030 1 688 66 66 ILE C C 172.724 0.300 1 689 66 66 ILE CA C 58.545 0.300 1 690 66 66 ILE CB C 42.040 0.300 1 691 66 66 ILE CD1 C 13.708 0.300 1 692 66 66 ILE CG1 C 26.655 0.300 1 693 66 66 ILE CG2 C 17.173 0.300 1 694 66 66 ILE N N 122.250 0.300 1 695 67 67 PRO HA H 4.504 0.030 1 696 67 67 PRO HB2 H 2.046 0.030 2 697 67 67 PRO HB3 H 2.270 0.030 2 698 67 67 PRO HD2 H 3.503 0.030 2 699 67 67 PRO HD3 H 3.809 0.030 2 700 67 67 PRO HG2 H 2.228 0.030 2 701 67 67 PRO HG3 H 1.920 0.030 2 702 67 67 PRO CA C 62.991 0.300 1 703 67 67 PRO CB C 31.685 0.300 1 704 67 67 PRO CD C 50.791 0.300 1 705 67 67 PRO CG C 27.593 0.300 1 706 68 68 LEU HA H 3.829 0.030 1 707 68 68 LEU HB2 H 1.370 0.030 1 708 68 68 LEU HB3 H 1.370 0.030 1 709 68 68 LEU HD1 H 0.709 0.030 1 710 68 68 LEU HD2 H 0.292 0.030 1 711 68 68 LEU HG H 1.545 0.030 1 712 68 68 LEU C C 176.819 0.300 1 713 68 68 LEU CA C 55.730 0.300 1 714 68 68 LEU CB C 43.365 0.300 1 715 68 68 LEU CD1 C 27.165 0.300 2 716 68 68 LEU CD2 C 22.149 0.300 2 717 68 68 LEU CG C 26.640 0.300 1 718 69 69 LEU H H 7.883 0.030 1 719 69 69 LEU HA H 4.159 0.030 1 720 69 69 LEU HB2 H 1.687 0.030 1 721 69 69 LEU HB3 H 1.687 0.030 1 722 69 69 LEU HD1 H 0.948 0.030 1 723 69 69 LEU HD2 H 0.957 0.030 1 724 69 69 LEU HG H 1.715 0.030 1 725 69 69 LEU C C 178.805 0.300 1 726 69 69 LEU CA C 58.052 0.300 1 727 69 69 LEU CB C 41.885 0.300 1 728 69 69 LEU CD1 C 25.523 0.300 2 729 69 69 LEU CD2 C 24.504 0.300 2 730 69 69 LEU CG C 27.083 0.300 1 731 69 69 LEU N N 120.557 0.300 1 732 70 70 SER H H 9.127 0.030 1 733 70 70 SER HA H 4.139 0.030 1 734 70 70 SER HB2 H 3.849 0.030 2 735 70 70 SER HB3 H 4.070 0.030 2 736 70 70 SER C C 174.350 0.300 1 737 70 70 SER CA C 61.360 0.300 1 738 70 70 SER CB C 62.854 0.300 1 739 70 70 SER N N 116.204 0.300 1 740 71 71 PHE H H 8.704 0.030 1 741 71 71 PHE HA H 4.556 0.030 1 742 71 71 PHE HB2 H 2.482 0.030 2 743 71 71 PHE HB3 H 3.444 0.030 2 744 71 71 PHE HD1 H 6.982 0.030 1 745 71 71 PHE HD2 H 6.982 0.030 1 746 71 71 PHE HE1 H 7.234 0.030 1 747 71 71 PHE HE2 H 7.234 0.030 1 748 71 71 PHE HZ H 7.316 0.030 1 749 71 71 PHE C C 175.306 0.300 1 750 71 71 PHE CA C 58.932 0.300 1 751 71 71 PHE CB C 39.582 0.300 1 752 71 71 PHE CD1 C 130.817 0.300 1 753 71 71 PHE CD2 C 130.817 0.300 1 754 71 71 PHE CE1 C 131.982 0.300 1 755 71 71 PHE CE2 C 131.982 0.300 1 756 71 71 PHE CZ C 129.705 0.300 1 757 71 71 PHE N N 122.423 0.300 1 758 72 72 ARG H H 9.060 0.030 1 759 72 72 ARG HA H 4.738 0.030 1 760 72 72 ARG HB2 H 1.927 0.030 2 761 72 72 ARG HB3 H 1.859 0.030 2 762 72 72 ARG HD2 H 3.243 0.030 1 763 72 72 ARG HD3 H 3.243 0.030 1 764 72 72 ARG HG2 H 1.577 0.030 2 765 72 72 ARG HG3 H 1.747 0.030 2 766 72 72 ARG C C 176.188 0.300 1 767 72 72 ARG CA C 55.202 0.300 1 768 72 72 ARG CB C 31.852 0.300 1 769 72 72 ARG CD C 43.612 0.300 1 770 72 72 ARG CG C 27.554 0.300 1 771 72 72 ARG N N 120.020 0.300 1 772 73 73 VAL H H 9.048 0.030 1 773 73 73 VAL HA H 5.521 0.030 1 774 73 73 VAL HB H 1.990 0.030 1 775 73 73 VAL HG1 H 1.155 0.030 1 776 73 73 VAL HG2 H 0.876 0.030 1 777 73 73 VAL C C 175.154 0.300 1 778 73 73 VAL CA C 60.973 0.300 1 779 73 73 VAL CB C 33.003 0.300 1 780 73 73 VAL CG1 C 22.434 0.300 2 781 73 73 VAL CG2 C 20.215 0.300 2 782 73 73 VAL N N 128.070 0.300 1 783 74 74 ALA H H 8.891 0.030 1 784 74 74 ALA HA H 4.710 0.030 1 785 74 74 ALA HB H 1.464 0.030 1 786 74 74 ALA C C 175.572 0.300 1 787 74 74 ALA CA C 51.472 0.300 1 788 74 74 ALA CB C 23.424 0.300 1 789 74 74 ALA N N 128.127 0.300 1 790 75 75 ALA H H 8.910 0.030 1 791 75 75 ALA HA H 4.462 0.030 1 792 75 75 ALA HB H 1.538 0.030 1 793 75 75 ALA C C 177.657 0.300 1 794 75 75 ALA CA C 52.985 0.300 1 795 75 75 ALA CB C 18.893 0.300 1 796 75 75 ALA N N 122.416 0.300 1 797 76 76 VAL H H 7.568 0.030 1 798 76 76 VAL HA H 4.314 0.030 1 799 76 76 VAL HB H 2.340 0.030 1 800 76 76 VAL HG1 H 1.089 0.030 1 801 76 76 VAL HG2 H 1.025 0.030 1 802 76 76 VAL C C 175.300 0.300 1 803 76 76 VAL CA C 62.486 0.300 1 804 76 76 VAL CB C 32.811 0.300 1 805 76 76 VAL CG1 C 22.983 0.300 2 806 76 76 VAL CG2 C 20.556 0.300 2 807 76 76 VAL N N 115.278 0.300 1 808 77 77 GLN H H 9.305 0.030 1 809 77 77 GLN HA H 4.818 0.030 1 810 77 77 GLN HB2 H 2.287 0.030 2 811 77 77 GLN HB3 H 1.825 0.030 2 812 77 77 GLN HE21 H 7.616 0.030 2 813 77 77 GLN HE22 H 6.968 0.030 2 814 77 77 GLN HG2 H 2.448 0.030 1 815 77 77 GLN HG3 H 2.448 0.030 1 816 77 77 GLN C C 176.043 0.300 1 817 77 77 GLN CA C 53.408 0.300 1 818 77 77 GLN CB C 29.852 0.300 1 819 77 77 GLN CG C 33.886 0.300 1 820 77 77 GLN N N 123.968 0.300 1 821 77 77 GLN NE2 N 113.438 0.300 1 822 78 78 PRO HA H 4.350 0.030 1 823 78 78 PRO HB2 H 1.972 0.030 2 824 78 78 PRO HB3 H 2.402 0.030 2 825 78 78 PRO HD2 H 3.849 0.030 2 826 78 78 PRO HD3 H 3.921 0.030 2 827 78 78 PRO HG2 H 2.038 0.030 2 828 78 78 PRO HG3 H 2.217 0.030 2 829 78 78 PRO C C 178.264 0.300 1 830 78 78 PRO CA C 65.863 0.300 1 831 78 78 PRO CB C 31.688 0.300 1 832 78 78 PRO CD C 50.519 0.300 1 833 78 78 PRO CG C 27.905 0.300 1 834 79 79 SER H H 8.048 0.030 1 835 79 79 SER HA H 4.237 0.030 1 836 79 79 SER HB2 H 3.835 0.030 2 837 79 79 SER HB3 H 4.015 0.030 2 838 79 79 SER C C 175.082 0.300 1 839 79 79 SER CA C 59.495 0.300 1 840 79 79 SER CB C 62.854 0.300 1 841 79 79 SER N N 110.613 0.300 1 842 80 80 ASP H H 8.172 0.030 1 843 80 80 ASP HA H 4.551 0.030 1 844 80 80 ASP HB2 H 2.877 0.030 2 845 80 80 ASP HB3 H 2.731 0.030 2 846 80 80 ASP C C 175.682 0.300 1 847 80 80 ASP CA C 56.363 0.300 1 848 80 80 ASP CB C 41.391 0.300 1 849 80 80 ASP N N 120.062 0.300 1 850 81 81 ASN H H 7.979 0.030 1 851 81 81 ASN HA H 4.352 0.030 1 852 81 81 ASN HB2 H 2.632 0.030 2 853 81 81 ASN HB3 H 2.947 0.030 2 854 81 81 ASN HD21 H 7.459 0.030 2 855 81 81 ASN HD22 H 6.727 0.030 2 856 81 81 ASN C C 173.974 0.300 1 857 81 81 ASN CA C 54.217 0.300 1 858 81 81 ASN CB C 37.467 0.300 1 859 81 81 ASN N N 114.425 0.300 1 860 81 81 ASN ND2 N 112.632 0.300 1 861 82 82 ILE H H 8.410 0.030 1 862 82 82 ILE HA H 4.270 0.030 1 863 82 82 ILE HB H 1.759 0.030 1 864 82 82 ILE HD1 H 0.254 0.030 1 865 82 82 ILE HG12 H 1.039 0.030 2 866 82 82 ILE HG13 H 1.011 0.030 2 867 82 82 ILE HG2 H 0.994 0.030 1 868 82 82 ILE C C 175.898 0.300 1 869 82 82 ILE CA C 59.284 0.300 1 870 82 82 ILE CB C 39.006 0.300 1 871 82 82 ILE CD1 C 11.196 0.300 1 872 82 82 ILE CG1 C 26.655 0.300 1 873 82 82 ILE CG2 C 18.221 0.300 1 874 82 82 ILE N N 119.654 0.300 1 875 83 83 SER HA H 4.368 0.030 1 876 83 83 SER HB2 H 3.758 0.030 1 877 83 83 SER HB3 H 3.758 0.030 1 878 83 83 SER C C 174.155 0.300 1 879 83 83 SER CA C 58.334 0.300 1 880 83 83 SER CB C 63.660 0.300 1 881 84 84 ARG H H 6.966 0.030 1 882 84 84 ARG HA H 3.854 0.030 1 883 84 84 ARG HB2 H 1.032 0.030 1 884 84 84 ARG HB3 H 1.032 0.030 1 885 84 84 ARG HD2 H 0.877 0.030 2 886 84 84 ARG HD3 H 1.220 0.030 2 887 84 84 ARG HE H 5.795 0.030 1 888 84 84 ARG HG2 H 0.832 0.030 2 889 84 84 ARG HG3 H 0.718 0.030 2 890 84 84 ARG C C 176.163 0.300 1 891 84 84 ARG CA C 56.276 0.300 1 892 84 84 ARG CB C 30.306 0.300 1 893 84 84 ARG CD C 41.161 0.300 1 894 84 84 ARG CG C 27.329 0.300 1 895 84 84 ARG N N 123.811 0.300 1 896 84 84 ARG NE N 82.783 0.300 1 897 85 85 LYS H H 8.274 0.030 1 898 85 85 LYS HA H 3.870 0.030 1 899 85 85 LYS HB2 H 0.515 0.030 2 900 85 85 LYS HB3 H 1.049 0.030 2 901 85 85 LYS HD2 H 1.448 0.030 1 902 85 85 LYS HD3 H 1.448 0.030 1 903 85 85 LYS HE2 H 2.874 0.030 1 904 85 85 LYS HE3 H 2.874 0.030 1 905 85 85 LYS HG2 H 1.100 0.030 2 906 85 85 LYS HG3 H 1.209 0.030 2 907 85 85 LYS C C 175.903 0.300 1 908 85 85 LYS CA C 56.680 0.300 1 909 85 85 LYS CB C 32.428 0.300 1 910 85 85 LYS CD C 28.941 0.300 1 911 85 85 LYS CE C 41.885 0.300 1 912 85 85 LYS CG C 25.036 0.300 1 913 85 85 LYS N N 126.515 0.300 1 914 86 86 HIS H H 8.554 0.030 1 915 86 86 HIS HA H 4.370 0.030 1 916 86 86 HIS HB2 H 3.793 0.030 2 917 86 86 HIS HB3 H 2.671 0.030 2 918 86 86 HIS HD2 H 6.656 0.030 1 919 86 86 HIS HE1 H 7.784 0.030 1 920 86 86 HIS C C 176.266 0.300 1 921 86 86 HIS CA C 55.026 0.300 1 922 86 86 HIS CB C 27.186 0.300 1 923 86 86 HIS CE1 C 137.978 0.300 1 924 86 86 HIS N N 115.817 0.300 1 925 87 87 THR H H 8.212 0.030 1 926 87 87 THR HA H 5.526 0.030 1 927 87 87 THR HB H 3.991 0.030 1 928 87 87 THR HG2 H 1.356 0.030 1 929 87 87 THR C C 174.960 0.300 1 930 87 87 THR CA C 62.098 0.300 1 931 87 87 THR CB C 69.490 0.300 1 932 87 87 THR CG2 C 23.300 0.300 1 933 87 87 THR N N 114.408 0.300 1 934 88 88 PHE H H 9.748 0.030 1 935 88 88 PHE HA H 5.282 0.030 1 936 88 88 PHE HB2 H 3.084 0.030 1 937 88 88 PHE HB3 H 3.084 0.030 1 938 88 88 PHE HD1 H 7.072 0.030 1 939 88 88 PHE HD2 H 7.072 0.030 1 940 88 88 PHE HE1 H 6.982 0.030 1 941 88 88 PHE HE2 H 6.982 0.030 1 942 88 88 PHE HZ H 6.494 0.030 1 943 88 88 PHE C C 170.775 0.300 1 944 88 88 PHE CA C 56.028 0.300 1 945 88 88 PHE CB C 41.638 0.300 1 946 88 88 PHE CD1 C 132.972 0.300 1 947 88 88 PHE CD2 C 132.972 0.300 1 948 88 88 PHE CE1 C 130.451 0.300 1 949 88 88 PHE CE2 C 130.451 0.300 1 950 88 88 PHE CZ C 130.441 0.300 1 951 88 88 PHE N N 123.664 0.300 1 952 89 89 LYS H H 9.544 0.030 1 953 89 89 LYS HA H 5.553 0.030 1 954 89 89 LYS HB2 H 1.429 0.030 2 955 89 89 LYS HB3 H 1.179 0.030 2 956 89 89 LYS HD2 H 1.567 0.030 2 957 89 89 LYS HD3 H 1.425 0.030 2 958 89 89 LYS HE2 H 2.961 0.030 2 959 89 89 LYS HE3 H 2.794 0.030 2 960 89 89 LYS HG2 H 1.098 0.030 1 961 89 89 LYS HG3 H 1.098 0.030 1 962 89 89 LYS C C 173.578 0.300 1 963 89 89 LYS CA C 53.197 0.300 1 964 89 89 LYS CB C 37.444 0.300 1 965 89 89 LYS CD C 30.639 0.300 1 966 89 89 LYS CE C 42.296 0.300 1 967 89 89 LYS CG C 23.198 0.300 1 968 89 89 LYS N N 117.529 0.300 1 969 90 90 ALA H H 8.701 0.030 1 970 90 90 ALA HA H 5.393 0.030 1 971 90 90 ALA HB H 1.376 0.030 1 972 90 90 ALA C C 175.088 0.300 1 973 90 90 ALA CA C 50.382 0.300 1 974 90 90 ALA CB C 20.997 0.300 1 975 90 90 ALA N N 122.578 0.300 1 976 91 91 GLU H H 9.438 0.030 1 977 91 91 GLU HA H 4.926 0.030 1 978 91 91 GLU HB2 H 2.045 0.030 2 979 91 91 GLU HB3 H 1.833 0.030 2 980 91 91 GLU HG2 H 2.142 0.030 2 981 91 91 GLU HG3 H 2.003 0.030 2 982 91 91 GLU C C 174.299 0.300 1 983 91 91 GLU CA C 54.745 0.300 1 984 91 91 GLU CB C 34.598 0.300 1 985 91 91 GLU CG C 36.018 0.300 1 986 91 91 GLU N N 123.955 0.300 1 987 92 92 HIS H H 8.772 0.030 1 988 92 92 HIS HA H 4.450 0.030 1 989 92 92 HIS HB2 H 2.424 0.030 2 990 92 92 HIS HB3 H 1.295 0.030 2 991 92 92 HIS HD2 H 6.677 0.030 1 992 92 92 HIS HE1 H 7.859 0.030 1 993 92 92 HIS C C 174.530 0.300 1 994 92 92 HIS CA C 54.006 0.300 1 995 92 92 HIS CB C 30.490 0.300 1 996 92 92 HIS CD2 C 118.909 0.300 1 997 92 92 HIS CE1 C 138.101 0.300 1 998 92 92 HIS N N 127.271 0.300 1 999 93 93 ALA H H 8.715 0.030 1 1000 93 93 ALA HA H 4.011 0.030 1 1001 93 93 ALA HB H 1.297 0.030 1 1002 93 93 ALA C C 178.490 0.300 1 1003 93 93 ALA CA C 54.534 0.300 1 1004 93 93 ALA CB C 17.987 0.300 1 1005 93 93 ALA N N 129.680 0.300 1 1006 94 94 GLY H H 9.075 0.030 1 1007 94 94 GLY HA2 H 3.701 0.030 2 1008 94 94 GLY HA3 H 4.046 0.030 2 1009 94 94 GLY C C 173.675 0.300 1 1010 94 94 GLY CA C 45.350 0.300 1 1011 94 94 GLY N N 111.081 0.300 1 1012 95 95 VAL H H 8.102 0.030 1 1013 95 95 VAL HA H 4.091 0.030 1 1014 95 95 VAL HB H 1.421 0.030 1 1015 95 95 VAL HG1 H 0.418 0.030 1 1016 95 95 VAL HG2 H 0.862 0.030 1 1017 95 95 VAL C C 175.293 0.300 1 1018 95 95 VAL CA C 63.048 0.300 1 1019 95 95 VAL CB C 34.501 0.300 1 1020 95 95 VAL CG1 C 20.154 0.300 2 1021 95 95 VAL CG2 C 21.010 0.300 2 1022 95 95 VAL N N 120.086 0.300 1 1023 96 96 ARG H H 8.167 0.030 1 1024 96 96 ARG HA H 4.319 0.030 1 1025 96 96 ARG HB2 H 1.738 0.030 2 1026 96 96 ARG HB3 H 1.700 0.030 2 1027 96 96 ARG HD2 H 3.111 0.030 1 1028 96 96 ARG HD3 H 3.111 0.030 1 1029 96 96 ARG HG2 H 1.391 0.030 2 1030 96 96 ARG HG3 H 1.303 0.030 2 1031 96 96 ARG C C 173.910 0.300 1 1032 96 96 ARG CA C 56.335 0.300 1 1033 96 96 ARG CB C 31.688 0.300 1 1034 96 96 ARG CD C 43.214 0.300 1 1035 96 96 ARG CG C 26.566 0.300 1 1036 96 96 ARG N N 120.912 0.300 1 1037 97 97 THR H H 8.223 0.030 1 1038 97 97 THR HA H 4.499 0.030 1 1039 97 97 THR HB H 3.626 0.030 1 1040 97 97 THR HG2 H 0.434 0.030 1 1041 97 97 THR C C 172.906 0.300 1 1042 97 97 THR CA C 62.521 0.300 1 1043 97 97 THR CB C 70.367 0.300 1 1044 97 97 THR CG2 C 23.711 0.300 1 1045 97 97 THR N N 119.885 0.300 1 1046 98 98 TYR H H 8.509 0.030 1 1047 98 98 TYR HA H 4.374 0.030 1 1048 98 98 TYR HB2 H 2.188 0.030 2 1049 98 98 TYR HB3 H 2.468 0.030 2 1050 98 98 TYR HD1 H 6.968 0.030 1 1051 98 98 TYR HD2 H 6.968 0.030 1 1052 98 98 TYR HE1 H 6.800 0.030 1 1053 98 98 TYR HE2 H 6.800 0.030 1 1054 98 98 TYR C C 173.556 0.300 1 1055 98 98 TYR CA C 56.739 0.300 1 1056 98 98 TYR CB C 41.889 0.300 1 1057 98 98 TYR CD1 C 132.912 0.300 1 1058 98 98 TYR CD2 C 132.912 0.300 1 1059 98 98 TYR CE1 C 118.332 0.300 1 1060 98 98 TYR CE2 C 118.332 0.300 1 1061 98 98 TYR N N 125.248 0.300 1 1062 99 99 PHE H H 8.229 0.030 1 1063 99 99 PHE HA H 4.887 0.030 1 1064 99 99 PHE HB2 H 2.387 0.030 2 1065 99 99 PHE HB3 H 2.736 0.030 2 1066 99 99 PHE HD1 H 6.911 0.030 1 1067 99 99 PHE HD2 H 6.911 0.030 1 1068 99 99 PHE HE1 H 7.126 0.030 1 1069 99 99 PHE HE2 H 7.126 0.030 1 1070 99 99 PHE HZ H 7.275 0.030 1 1071 99 99 PHE C C 173.744 0.300 1 1072 99 99 PHE CA C 57.313 0.300 1 1073 99 99 PHE CB C 42.687 0.300 1 1074 99 99 PHE CD1 C 131.765 0.300 1 1075 99 99 PHE CD2 C 131.765 0.300 1 1076 99 99 PHE CE1 C 131.066 0.300 1 1077 99 99 PHE CE2 C 131.066 0.300 1 1078 99 99 PHE CZ C 129.719 0.300 1 1079 99 99 PHE N N 118.438 0.300 1 1080 100 100 PHE H H 8.608 0.030 1 1081 100 100 PHE HA H 5.636 0.030 1 1082 100 100 PHE HB2 H 0.768 0.030 2 1083 100 100 PHE HB3 H 2.150 0.030 2 1084 100 100 PHE HD1 H 6.236 0.030 1 1085 100 100 PHE HD2 H 6.236 0.030 1 1086 100 100 PHE HE1 H 6.544 0.030 1 1087 100 100 PHE HE2 H 6.544 0.030 1 1088 100 100 PHE HZ H 6.291 0.030 1 1089 100 100 PHE C C 174.422 0.300 1 1090 100 100 PHE CA C 54.498 0.300 1 1091 100 100 PHE CB C 43.423 0.300 1 1092 100 100 PHE CD1 C 132.014 0.300 1 1093 100 100 PHE CD2 C 132.014 0.300 1 1094 100 100 PHE CE1 C 129.391 0.300 1 1095 100 100 PHE CE2 C 129.391 0.300 1 1096 100 100 PHE CZ C 127.324 0.300 1 1097 100 100 PHE N N 118.570 0.300 1 1098 101 101 SER H H 9.317 0.030 1 1099 101 101 SER HA H 5.280 0.030 1 1100 101 101 SER HB2 H 3.084 0.030 2 1101 101 101 SER HB3 H 3.423 0.030 2 1102 101 101 SER C C 173.547 0.300 1 1103 101 101 SER CA C 57.032 0.300 1 1104 101 101 SER CB C 65.188 0.300 1 1105 101 101 SER N N 113.774 0.300 1 1106 102 102 ALA H H 8.537 0.030 1 1107 102 102 ALA HA H 5.228 0.030 1 1108 102 102 ALA HB H 1.794 0.030 1 1109 102 102 ALA C C 176.560 0.300 1 1110 102 102 ALA CA C 50.100 0.300 1 1111 102 102 ALA CB C 22.292 0.300 1 1112 102 102 ALA N N 128.859 0.300 1 1113 103 103 GLU H H 9.233 0.030 1 1114 103 103 GLU HA H 4.478 0.030 1 1115 103 103 GLU HB2 H 2.317 0.030 2 1116 103 103 GLU HB3 H 2.219 0.030 2 1117 103 103 GLU HG2 H 2.567 0.030 2 1118 103 103 GLU HG3 H 2.365 0.030 2 1119 103 103 GLU C C 175.707 0.300 1 1120 103 103 GLU CA C 57.560 0.300 1 1121 103 103 GLU CB C 31.048 0.300 1 1122 103 103 GLU CG C 37.608 0.300 1 1123 103 103 GLU N N 114.741 0.300 1 1124 104 104 SER H H 7.431 0.030 1 1125 104 104 SER HA H 4.290 0.030 1 1126 104 104 SER HB2 H 3.876 0.030 2 1127 104 104 SER HB3 H 4.232 0.030 2 1128 104 104 SER C C 171.682 0.300 1 1129 104 104 SER CA C 55.202 0.300 1 1130 104 104 SER CB C 64.005 0.300 1 1131 104 104 SER N N 110.631 0.300 1 1132 105 105 PRO HA H 4.315 0.030 1 1133 105 105 PRO HB2 H 1.989 0.030 2 1134 105 105 PRO HB3 H 2.494 0.030 2 1135 105 105 PRO HD2 H 3.887 0.030 2 1136 105 105 PRO HD3 H 3.331 0.030 2 1137 105 105 PRO HG2 H 2.119 0.030 2 1138 105 105 PRO HG3 H 2.236 0.030 2 1139 105 105 PRO C C 179.008 0.300 1 1140 105 105 PRO CA C 64.737 0.300 1 1141 105 105 PRO CB C 31.728 0.300 1 1142 105 105 PRO CD C 50.539 0.300 1 1143 105 105 PRO CG C 27.494 0.300 1 1144 106 106 GLU H H 8.952 0.030 1 1145 106 106 GLU HA H 4.029 0.030 1 1146 106 106 GLU HB2 H 1.922 0.030 2 1147 106 106 GLU HB3 H 2.079 0.030 2 1148 106 106 GLU HG2 H 2.264 0.030 2 1149 106 106 GLU HG3 H 2.495 0.030 2 1150 106 106 GLU C C 180.261 0.300 1 1151 106 106 GLU CA C 60.656 0.300 1 1152 106 106 GLU CB C 28.351 0.300 1 1153 106 106 GLU CG C 37.035 0.300 1 1154 106 106 GLU N N 118.153 0.300 1 1155 107 107 GLU H H 7.808 0.030 1 1156 107 107 GLU HA H 4.388 0.030 1 1157 107 107 GLU HB2 H 2.110 0.030 2 1158 107 107 GLU HB3 H 2.391 0.030 2 1159 107 107 GLU HG2 H 2.309 0.030 2 1160 107 107 GLU HG3 H 2.522 0.030 2 1161 107 107 GLU C C 178.027 0.300 1 1162 107 107 GLU CA C 58.510 0.300 1 1163 107 107 GLU CB C 31.030 0.300 1 1164 107 107 GLU CG C 37.280 0.300 1 1165 107 107 GLU N N 120.001 0.300 1 1166 108 108 GLN H H 7.991 0.030 1 1167 108 108 GLN HA H 3.702 0.030 1 1168 108 108 GLN HB2 H 2.807 0.030 2 1169 108 108 GLN HB3 H 2.072 0.030 2 1170 108 108 GLN HE21 H 7.387 0.030 2 1171 108 108 GLN HE22 H 6.803 0.030 2 1172 108 108 GLN HG2 H 2.208 0.030 2 1173 108 108 GLN HG3 H 2.016 0.030 2 1174 108 108 GLN C C 176.618 0.300 1 1175 108 108 GLN CA C 59.882 0.300 1 1176 108 108 GLN CB C 28.553 0.300 1 1177 108 108 GLN CG C 33.003 0.300 1 1178 108 108 GLN N N 121.565 0.300 1 1179 108 108 GLN NE2 N 110.582 0.300 1 1180 109 109 GLU H H 8.150 0.030 1 1181 109 109 GLU HA H 3.861 0.030 1 1182 109 109 GLU HB2 H 2.046 0.030 2 1183 109 109 GLU HB3 H 1.974 0.030 2 1184 109 109 GLU HG2 H 2.242 0.030 2 1185 109 109 GLU HG3 H 2.333 0.030 2 1186 109 109 GLU C C 178.606 0.300 1 1187 109 109 GLU CA C 59.248 0.300 1 1188 109 109 GLU CB C 29.221 0.300 1 1189 109 109 GLU CG C 35.880 0.300 1 1190 109 109 GLU N N 117.287 0.300 1 1191 110 110 ALA H H 7.959 0.030 1 1192 110 110 ALA HA H 4.039 0.030 1 1193 110 110 ALA HB H 1.293 0.030 1 1194 110 110 ALA C C 181.739 0.300 1 1195 110 110 ALA CA C 54.850 0.300 1 1196 110 110 ALA CB C 18.321 0.300 1 1197 110 110 ALA N N 120.888 0.300 1 1198 111 111 TRP H H 8.429 0.030 1 1199 111 111 TRP HA H 4.059 0.030 1 1200 111 111 TRP HB2 H 2.804 0.030 1 1201 111 111 TRP HB3 H 2.804 0.030 1 1202 111 111 TRP HD1 H 7.195 0.030 1 1203 111 111 TRP HE1 H 10.954 0.030 1 1204 111 111 TRP HE3 H 7.152 0.030 1 1205 111 111 TRP HH2 H 6.546 0.030 1 1206 111 111 TRP HZ2 H 6.718 0.030 1 1207 111 111 TRP HZ3 H 6.511 0.030 1 1208 111 111 TRP C C 178.428 0.300 1 1209 111 111 TRP CA C 61.395 0.300 1 1210 111 111 TRP CB C 30.599 0.300 1 1211 111 111 TRP CD1 C 128.162 0.300 1 1212 111 111 TRP CE3 C 119.531 0.300 1 1213 111 111 TRP CH2 C 123.865 0.300 1 1214 111 111 TRP CZ2 C 114.230 0.300 1 1215 111 111 TRP CZ3 C 120.385 0.300 1 1216 111 111 TRP N N 119.686 0.300 1 1217 111 111 TRP NE1 N 130.939 0.300 1 1218 112 112 ILE H H 8.057 0.030 1 1219 112 112 ILE HA H 3.259 0.030 1 1220 112 112 ILE HB H 1.660 0.030 1 1221 112 112 ILE HD1 H 0.738 0.030 1 1222 112 112 ILE HG12 H 1.088 0.030 2 1223 112 112 ILE HG13 H 0.284 0.030 2 1224 112 112 ILE HG2 H 0.784 0.030 1 1225 112 112 ILE C C 179.482 0.300 1 1226 112 112 ILE CA C 66.004 0.300 1 1227 112 112 ILE CB C 38.037 0.300 1 1228 112 112 ILE CD1 C 15.405 0.300 1 1229 112 112 ILE CG1 C 30.207 0.300 1 1230 112 112 ILE CG2 C 17.156 0.300 1 1231 112 112 ILE N N 120.954 0.300 1 1232 113 113 GLN H H 8.035 0.030 1 1233 113 113 GLN HA H 3.973 0.030 1 1234 113 113 GLN HB2 H 2.032 0.030 1 1235 113 113 GLN HB3 H 2.032 0.030 1 1236 113 113 GLN HE21 H 6.745 0.030 2 1237 113 113 GLN HE22 H 7.662 0.030 2 1238 113 113 GLN HG2 H 2.431 0.030 2 1239 113 113 GLN HG3 H 2.346 0.030 2 1240 113 113 GLN C C 178.390 0.300 1 1241 113 113 GLN CA C 58.897 0.300 1 1242 113 113 GLN CB C 27.952 0.300 1 1243 113 113 GLN CG C 33.332 0.300 1 1244 113 113 GLN N N 118.886 0.300 1 1245 113 113 GLN NE2 N 112.344 0.300 1 1246 114 114 ALA H H 7.920 0.030 1 1247 114 114 ALA HA H 4.043 0.030 1 1248 114 114 ALA HB H 1.120 0.030 1 1249 114 114 ALA C C 180.992 0.300 1 1250 114 114 ALA CA C 55.026 0.300 1 1251 114 114 ALA CB C 18.314 0.300 1 1252 114 114 ALA N N 120.841 0.300 1 1253 115 115 MET H H 9.203 0.030 1 1254 115 115 MET HA H 3.864 0.030 1 1255 115 115 MET HB2 H 2.225 0.030 2 1256 115 115 MET HB3 H 1.820 0.030 2 1257 115 115 MET HE H 1.064 0.030 1 1258 115 115 MET HG2 H 3.045 0.030 2 1259 115 115 MET HG3 H 2.338 0.030 2 1260 115 115 MET C C 177.600 0.300 1 1261 115 115 MET CA C 60.158 0.300 1 1262 115 115 MET CB C 33.541 0.300 1 1263 115 115 MET CE C 18.411 0.300 1 1264 115 115 MET CG C 33.901 0.300 1 1265 115 115 MET N N 116.179 0.300 1 1266 116 116 GLY H H 8.345 0.030 1 1267 116 116 GLY HA2 H 3.788 0.030 2 1268 116 116 GLY HA3 H 4.108 0.030 2 1269 116 116 GLY C C 176.762 0.300 1 1270 116 116 GLY CA C 46.934 0.300 1 1271 116 116 GLY N N 106.246 0.300 1 1272 117 117 GLU H H 7.905 0.030 1 1273 117 117 GLU HA H 4.119 0.030 1 1274 117 117 GLU HB2 H 2.107 0.030 2 1275 117 117 GLU HB3 H 2.044 0.030 2 1276 117 117 GLU HG2 H 2.363 0.030 2 1277 117 117 GLU HG3 H 2.305 0.030 2 1278 117 117 GLU C C 178.637 0.300 1 1279 117 117 GLU CA C 58.861 0.300 1 1280 117 117 GLU CB C 29.263 0.300 1 1281 117 117 GLU CG C 36.375 0.300 1 1282 117 117 GLU N N 121.374 0.300 1 1283 118 118 ALA H H 7.472 0.030 1 1284 118 118 ALA HA H 4.162 0.030 1 1285 118 118 ALA HB H 1.497 0.030 1 1286 118 118 ALA C C 177.845 0.300 1 1287 118 118 ALA CA C 53.935 0.300 1 1288 118 118 ALA CB C 19.846 0.300 1 1289 118 118 ALA N N 121.202 0.300 1 1290 119 119 ALA H H 7.677 0.030 1 1291 119 119 ALA HA H 4.228 0.030 1 1292 119 119 ALA HB H 1.663 0.030 1 1293 119 119 ALA C C 178.673 0.300 1 1294 119 119 ALA CA C 53.056 0.300 1 1295 119 119 ALA CB C 21.194 0.300 1 1296 119 119 ALA N N 117.596 0.300 1 1297 120 120 ARG H H 7.254 0.030 1 1298 120 120 ARG HA H 4.254 0.030 1 1299 120 120 ARG HB2 H 1.906 0.030 1 1300 120 120 ARG HB3 H 1.906 0.030 1 1301 120 120 ARG HD2 H 3.243 0.030 1 1302 120 120 ARG HD3 H 3.243 0.030 1 1303 120 120 ARG HG2 H 1.629 0.030 2 1304 120 120 ARG HG3 H 1.766 0.030 2 1305 120 120 ARG C C 175.916 0.300 1 1306 120 120 ARG CA C 57.008 0.300 1 1307 120 120 ARG CB C 31.324 0.300 1 1308 120 120 ARG CD C 43.776 0.300 1 1309 120 120 ARG CG C 27.262 0.300 1 1310 120 120 ARG N N 118.206 0.300 1 1311 121 121 VAL H H 8.369 0.030 1 1312 121 121 VAL HA H 4.066 0.030 1 1313 121 121 VAL HB H 2.093 0.030 1 1314 121 121 VAL HG1 H 0.987 0.030 1 1315 121 121 VAL HG2 H 1.018 0.030 1 1316 121 121 VAL C C 175.541 0.300 1 1317 121 121 VAL CA C 62.908 0.300 1 1318 121 121 VAL CB C 32.647 0.300 1 1319 121 121 VAL CG1 C 21.292 0.300 2 1320 121 121 VAL CG2 C 21.006 0.300 2 1321 121 121 VAL N N 123.870 0.300 1 1322 122 122 GLN H H 7.995 0.030 1 1323 122 122 GLN HA H 4.191 0.030 1 1324 122 122 GLN HB2 H 2.079 0.030 2 1325 122 122 GLN HB3 H 1.953 0.030 2 1326 122 122 GLN HE21 H 7.586 0.030 2 1327 122 122 GLN HE22 H 6.869 0.030 2 1328 122 122 GLN HG2 H 2.293 0.030 1 1329 122 122 GLN HG3 H 2.293 0.030 1 1330 122 122 GLN C C 180.283 0.300 1 1331 122 122 GLN CA C 57.428 0.300 1 1332 122 122 GLN CB C 30.619 0.300 1 1333 122 122 GLN CG C 34.217 0.300 1 1334 122 122 GLN N N 128.927 0.300 1 1335 122 122 GLN NE2 N 112.426 0.300 1 stop_ save_