data_10107 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the CH domain from mouse EB-1 ; _BMRB_accession_number 10107 _BMRB_flat_file_name bmr10107.str _Entry_type original _Submission_date 2007-02-13 _Accession_date 2007-02-13 _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" 724 "13C chemical shifts" 539 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-15 original author . stop_ _Original_release_date 2008-08-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the CH domain from mouse EB-1' _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 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'microtubule-associated protein, RP/EB family, member 1' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _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 115 _Mol_residue_sequence ; GSSGSSGQRRHDMLAWINES LQLNLTKIEQLCSGAAYCQF MDMLFPGSIALKKVKFQAKL EHEYIQNFKILQAGFKRMGV DKIIPVDKLVKGKFQDNFEF VQWFKKFFDSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 ARG 10 ARG 11 HIS 12 ASP 13 MET 14 LEU 15 ALA 16 TRP 17 ILE 18 ASN 19 GLU 20 SER 21 LEU 22 GLN 23 LEU 24 ASN 25 LEU 26 THR 27 LYS 28 ILE 29 GLU 30 GLN 31 LEU 32 CYS 33 SER 34 GLY 35 ALA 36 ALA 37 TYR 38 CYS 39 GLN 40 PHE 41 MET 42 ASP 43 MET 44 LEU 45 PHE 46 PRO 47 GLY 48 SER 49 ILE 50 ALA 51 LEU 52 LYS 53 LYS 54 VAL 55 LYS 56 PHE 57 GLN 58 ALA 59 LYS 60 LEU 61 GLU 62 HIS 63 GLU 64 TYR 65 ILE 66 GLN 67 ASN 68 PHE 69 LYS 70 ILE 71 LEU 72 GLN 73 ALA 74 GLY 75 PHE 76 LYS 77 ARG 78 MET 79 GLY 80 VAL 81 ASP 82 LYS 83 ILE 84 ILE 85 PRO 86 VAL 87 ASP 88 LYS 89 LEU 90 VAL 91 LYS 92 GLY 93 LYS 94 PHE 95 GLN 96 ASP 97 ASN 98 PHE 99 GLU 100 PHE 101 VAL 102 GLN 103 TRP 104 PHE 105 LYS 106 LYS 107 PHE 108 PHE 109 ASP 110 SER 111 GLY 112 PRO 113 SER 114 SER 115 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-01 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 1V5K "Solution Structure Of The Ch Domain From Mouse Eb-1" 100.00 115 100.00 100.00 1.64e-77 DBJ BAG59745 "unnamed protein product [Homo sapiens]" 60.00 238 98.55 100.00 1.73e-39 REF XP_003273569 "PREDICTED: microtubule-associated protein RP/EB family member 1 isoform X3 [Nomascus leucogenys]" 60.00 238 98.55 100.00 1.75e-39 REF XP_004062039 "PREDICTED: microtubule-associated protein RP/EB family member 1 [Gorilla gorilla gorilla]" 60.87 221 98.57 100.00 2.64e-40 REF XP_004325232 "PREDICTED: microtubule-associated protein RP/EB family member 1-like isoform 2 [Tursiops truncatus]" 60.00 238 98.55 100.00 1.71e-39 REF XP_004612629 "PREDICTED: microtubule-associated protein RP/EB family member 1 isoform X2 [Sorex araneus]" 60.00 238 98.55 100.00 2.21e-39 REF XP_004697982 "PREDICTED: microtubule-associated protein RP/EB family member 1 isoform X2 [Echinops telfairi]" 60.00 238 98.55 100.00 1.32e-39 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 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P021216-20 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.03 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.863 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement '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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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 6.0 0.05 pH pressure 1 0.001 atm temperature 298 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_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 'microtubule-associated protein, RP/EB family, member 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.489 0.030 1 2 2 2 SER HB2 H 3.840 0.030 1 3 2 2 SER HB3 H 3.840 0.030 1 4 2 2 SER C C 173.996 0.300 1 5 2 2 SER CA C 57.895 0.300 1 6 2 2 SER CB C 63.477 0.300 1 7 3 3 SER H H 8.451 0.030 1 8 3 3 SER HA H 4.507 0.030 1 9 3 3 SER HB2 H 3.913 0.030 1 10 3 3 SER HB3 H 3.913 0.030 1 11 3 3 SER C C 174.794 0.300 1 12 3 3 SER CA C 58.329 0.300 1 13 3 3 SER CB C 63.947 0.300 1 14 3 3 SER N N 118.028 0.300 1 15 4 4 GLY H H 8.519 0.030 1 16 4 4 GLY HA2 H 4.055 0.030 1 17 4 4 GLY HA3 H 4.055 0.030 1 18 4 4 GLY C C 174.041 0.300 1 19 4 4 GLY CA C 45.473 0.300 1 20 4 4 GLY N N 110.916 0.300 1 21 5 5 SER H H 8.335 0.030 1 22 5 5 SER HA H 4.518 0.030 1 23 5 5 SER HB2 H 3.899 0.030 1 24 5 5 SER HB3 H 3.899 0.030 1 25 5 5 SER C C 174.813 0.300 1 26 5 5 SER CA C 58.318 0.300 1 27 5 5 SER CB C 63.904 0.300 1 28 5 5 SER N N 115.851 0.300 1 29 6 6 SER H H 8.590 0.030 1 30 6 6 SER HA H 4.458 0.030 1 31 6 6 SER HB2 H 4.007 0.030 2 32 6 6 SER HB3 H 3.962 0.030 2 33 6 6 SER C C 175.464 0.300 1 34 6 6 SER CA C 59.478 0.300 1 35 6 6 SER CB C 63.610 0.300 1 36 6 6 SER N N 118.262 0.300 1 37 7 7 GLY H H 8.577 0.030 1 38 7 7 GLY HA2 H 4.014 0.030 2 39 7 7 GLY HA3 H 3.931 0.030 2 40 7 7 GLY C C 174.885 0.300 1 41 7 7 GLY CA C 46.284 0.300 1 42 7 7 GLY N N 110.946 0.300 1 43 8 8 GLN H H 8.253 0.030 1 44 8 8 GLN HA H 4.282 0.030 1 45 8 8 GLN HB2 H 2.130 0.030 1 46 8 8 GLN HB3 H 2.130 0.030 1 47 8 8 GLN HG2 H 2.421 0.030 1 48 8 8 GLN HG3 H 2.421 0.030 1 49 8 8 GLN HE21 H 7.782 0.030 2 50 8 8 GLN HE22 H 6.878 0.030 2 51 8 8 GLN C C 176.659 0.300 1 52 8 8 GLN CA C 57.092 0.300 1 53 8 8 GLN CB C 29.180 0.300 1 54 8 8 GLN CG C 33.745 0.300 1 55 8 8 GLN N N 121.246 0.300 1 56 8 8 GLN NE2 N 113.689 0.300 1 57 9 9 ARG H H 8.440 0.030 1 58 9 9 ARG HA H 4.400 0.030 1 59 9 9 ARG HB2 H 2.046 0.030 1 60 9 9 ARG HB3 H 2.046 0.030 1 61 9 9 ARG HG2 H 1.851 0.030 2 62 9 9 ARG HG3 H 1.785 0.030 2 63 9 9 ARG HD2 H 3.300 0.030 1 64 9 9 ARG HD3 H 3.300 0.030 1 65 9 9 ARG C C 178.166 0.300 1 66 9 9 ARG CA C 58.044 0.300 1 67 9 9 ARG CB C 30.447 0.300 1 68 9 9 ARG CG C 27.475 0.300 1 69 9 9 ARG CD C 43.394 0.300 1 70 9 9 ARG N N 120.296 0.300 1 71 10 10 ARG H H 8.509 0.030 1 72 10 10 ARG HA H 4.180 0.030 1 73 10 10 ARG HB2 H 1.925 0.030 1 74 10 10 ARG HB3 H 1.925 0.030 1 75 10 10 ARG HG2 H 1.652 0.030 2 76 10 10 ARG HG3 H 1.577 0.030 2 77 10 10 ARG HD2 H 3.201 0.030 2 78 10 10 ARG HD3 H 3.133 0.030 2 79 10 10 ARG C C 176.767 0.300 1 80 10 10 ARG CA C 59.294 0.300 1 81 10 10 ARG CB C 30.111 0.300 1 82 10 10 ARG CG C 26.987 0.300 1 83 10 10 ARG CD C 43.645 0.300 1 84 10 10 ARG N N 119.963 0.300 1 85 11 11 HIS H H 8.173 0.030 1 86 11 11 HIS HA H 4.412 0.030 1 87 11 11 HIS HB2 H 3.347 0.030 1 88 11 11 HIS HB3 H 3.347 0.030 1 89 11 11 HIS HD2 H 7.279 0.030 1 90 11 11 HIS HE1 H 8.262 0.030 1 91 11 11 HIS C C 177.111 0.300 1 92 11 11 HIS CA C 58.881 0.300 1 93 11 11 HIS CB C 29.405 0.300 1 94 11 11 HIS CD2 C 120.378 0.300 1 95 11 11 HIS CE1 C 137.660 0.300 1 96 11 11 HIS N N 118.414 0.300 1 97 12 12 ASP H H 8.538 0.030 1 98 12 12 ASP HA H 4.573 0.030 1 99 12 12 ASP HB2 H 2.888 0.030 2 100 12 12 ASP HB3 H 2.828 0.030 2 101 12 12 ASP C C 178.517 0.300 1 102 12 12 ASP CA C 56.600 0.300 1 103 12 12 ASP CB C 40.553 0.300 1 104 12 12 ASP N N 120.837 0.300 1 105 13 13 MET H H 8.420 0.030 1 106 13 13 MET HA H 4.699 0.030 1 107 13 13 MET HB2 H 2.735 0.030 2 108 13 13 MET HB3 H 2.835 0.030 2 109 13 13 MET HG2 H 2.491 0.030 2 110 13 13 MET HG3 H 2.112 0.030 2 111 13 13 MET HE H 1.981 0.030 1 112 13 13 MET C C 177.503 0.300 1 113 13 13 MET CA C 57.547 0.300 1 114 13 13 MET CB C 33.069 0.300 1 115 13 13 MET CG C 32.737 0.300 1 116 13 13 MET CE C 18.908 0.300 1 117 13 13 MET N N 120.247 0.300 1 118 14 14 LEU H H 7.912 0.030 1 119 14 14 LEU HA H 4.029 0.030 1 120 14 14 LEU HB2 H 1.763 0.030 2 121 14 14 LEU HB3 H 1.457 0.030 2 122 14 14 LEU HG H 1.660 0.030 1 123 14 14 LEU HD1 H 0.701 0.030 1 124 14 14 LEU HD2 H 0.624 0.030 1 125 14 14 LEU C C 177.455 0.300 1 126 14 14 LEU CA C 57.630 0.300 1 127 14 14 LEU CB C 41.777 0.300 1 128 14 14 LEU CG C 26.500 0.300 1 129 14 14 LEU CD1 C 25.297 0.300 2 130 14 14 LEU CD2 C 23.523 0.300 2 131 14 14 LEU N N 118.553 0.300 1 132 15 15 ALA H H 8.270 0.030 1 133 15 15 ALA HA H 4.165 0.030 1 134 15 15 ALA HB H 1.489 0.030 1 135 15 15 ALA C C 179.361 0.300 1 136 15 15 ALA CA C 55.328 0.300 1 137 15 15 ALA CB C 17.943 0.300 1 138 15 15 ALA N N 120.133 0.300 1 139 16 16 TRP H H 7.771 0.030 1 140 16 16 TRP HA H 4.544 0.030 1 141 16 16 TRP HB2 H 3.423 0.030 2 142 16 16 TRP HB3 H 3.666 0.030 2 143 16 16 TRP HD1 H 7.406 0.030 1 144 16 16 TRP HE1 H 10.016 0.030 1 145 16 16 TRP HE3 H 7.685 0.030 1 146 16 16 TRP HZ2 H 6.678 0.030 1 147 16 16 TRP HZ3 H 6.791 0.030 1 148 16 16 TRP HH2 H 6.493 0.030 1 149 16 16 TRP C C 178.649 0.300 1 150 16 16 TRP CA C 61.034 0.300 1 151 16 16 TRP CB C 27.320 0.300 1 152 16 16 TRP CD1 C 127.169 0.300 1 153 16 16 TRP CE3 C 120.648 0.300 1 154 16 16 TRP CZ2 C 115.013 0.300 1 155 16 16 TRP CZ3 C 120.834 0.300 1 156 16 16 TRP CH2 C 123.388 0.300 1 157 16 16 TRP N N 118.411 0.300 1 158 16 16 TRP NE1 N 130.814 0.300 1 159 17 17 ILE H H 7.922 0.030 1 160 17 17 ILE HA H 3.044 0.030 1 161 17 17 ILE HB H 1.879 0.030 1 162 17 17 ILE HG12 H 1.204 0.030 2 163 17 17 ILE HG13 H 1.555 0.030 2 164 17 17 ILE HG2 H 0.727 0.030 1 165 17 17 ILE HD1 H 0.660 0.030 1 166 17 17 ILE C C 176.389 0.300 1 167 17 17 ILE CA C 63.896 0.300 1 168 17 17 ILE CB C 37.499 0.300 1 169 17 17 ILE CG1 C 28.319 0.300 1 170 17 17 ILE CG2 C 17.370 0.300 1 171 17 17 ILE CD1 C 12.594 0.300 1 172 17 17 ILE N N 122.560 0.300 1 173 18 18 ASN H H 8.635 0.030 1 174 18 18 ASN HA H 4.202 0.030 1 175 18 18 ASN HB2 H 2.812 0.030 1 176 18 18 ASN HB3 H 2.812 0.030 1 177 18 18 ASN HD21 H 7.056 0.030 2 178 18 18 ASN HD22 H 7.471 0.030 2 179 18 18 ASN C C 179.168 0.300 1 180 18 18 ASN CA C 55.941 0.300 1 181 18 18 ASN CB C 37.456 0.300 1 182 18 18 ASN N N 118.574 0.300 1 183 18 18 ASN ND2 N 106.165 0.300 1 184 19 19 GLU H H 8.584 0.030 1 185 19 19 GLU HA H 4.130 0.030 1 186 19 19 GLU HB2 H 2.188 0.030 2 187 19 19 GLU HB3 H 2.069 0.030 2 188 19 19 GLU HG2 H 2.359 0.030 2 189 19 19 GLU HG3 H 2.432 0.030 2 190 19 19 GLU C C 178.746 0.300 1 191 19 19 GLU CA C 58.505 0.300 1 192 19 19 GLU CB C 29.532 0.300 1 193 19 19 GLU CG C 36.362 0.300 1 194 19 19 GLU N N 118.610 0.300 1 195 20 20 SER H H 7.706 0.030 1 196 20 20 SER HA H 4.131 0.030 1 197 20 20 SER HB2 H 3.493 0.030 2 198 20 20 SER HB3 H 3.357 0.030 2 199 20 20 SER C C 174.999 0.300 1 200 20 20 SER CA C 62.154 0.300 1 201 20 20 SER CB C 63.569 0.300 1 202 20 20 SER N N 113.797 0.300 1 203 21 21 LEU H H 7.459 0.030 1 204 21 21 LEU HA H 4.256 0.030 1 205 21 21 LEU HB2 H 1.398 0.030 2 206 21 21 LEU HB3 H 1.325 0.030 2 207 21 21 LEU HG H 0.962 0.030 1 208 21 21 LEU HD1 H 0.426 0.030 1 209 21 21 LEU HD2 H 0.244 0.030 1 210 21 21 LEU C C 175.041 0.300 1 211 21 21 LEU CA C 53.695 0.300 1 212 21 21 LEU CB C 42.599 0.300 1 213 21 21 LEU CG C 26.322 0.300 1 214 21 21 LEU CD1 C 26.888 0.300 2 215 21 21 LEU CD2 C 21.866 0.300 2 216 21 21 LEU N N 115.746 0.300 1 217 22 22 GLN H H 7.571 0.030 1 218 22 22 GLN HA H 4.011 0.030 1 219 22 22 GLN HB2 H 2.238 0.030 2 220 22 22 GLN HB3 H 2.106 0.030 2 221 22 22 GLN HG2 H 2.224 0.030 1 222 22 22 GLN HG3 H 2.224 0.030 1 223 22 22 GLN HE21 H 7.448 0.030 2 224 22 22 GLN HE22 H 6.698 0.030 2 225 22 22 GLN C C 175.030 0.300 1 226 22 22 GLN CA C 56.847 0.300 1 227 22 22 GLN CB C 25.611 0.300 1 228 22 22 GLN CG C 34.433 0.300 1 229 22 22 GLN N N 116.713 0.300 1 230 22 22 GLN NE2 N 113.053 0.300 1 231 23 23 LEU H H 7.694 0.030 1 232 23 23 LEU HA H 4.598 0.030 1 233 23 23 LEU HB2 H 1.786 0.030 2 234 23 23 LEU HB3 H 1.493 0.030 2 235 23 23 LEU HG H 1.386 0.030 1 236 23 23 LEU HD1 H 0.803 0.030 1 237 23 23 LEU HD2 H 0.676 0.030 1 238 23 23 LEU C C 175.066 0.300 1 239 23 23 LEU CA C 52.874 0.300 1 240 23 23 LEU CB C 45.577 0.300 1 241 23 23 LEU CG C 26.196 0.300 1 242 23 23 LEU CD1 C 22.456 0.300 2 243 23 23 LEU CD2 C 25.896 0.300 2 244 23 23 LEU N N 117.858 0.300 1 245 24 24 ASN H H 8.092 0.030 1 246 24 24 ASN HA H 4.747 0.030 1 247 24 24 ASN HB2 H 2.731 0.030 2 248 24 24 ASN HB3 H 2.434 0.030 2 249 24 24 ASN HD21 H 7.442 0.030 2 250 24 24 ASN HD22 H 6.700 0.030 2 251 24 24 ASN C C 175.005 0.300 1 252 24 24 ASN CA C 51.949 0.300 1 253 24 24 ASN CB C 39.051 0.300 1 254 24 24 ASN N N 118.553 0.300 1 255 24 24 ASN ND2 N 112.004 0.300 1 256 25 25 LEU H H 9.190 0.030 1 257 25 25 LEU HA H 4.276 0.030 1 258 25 25 LEU HB2 H 1.789 0.030 2 259 25 25 LEU HB3 H 1.480 0.030 2 260 25 25 LEU HG H 1.804 0.030 1 261 25 25 LEU HD1 H 0.736 0.030 1 262 25 25 LEU HD2 H 0.803 0.030 1 263 25 25 LEU C C 178.577 0.300 1 264 25 25 LEU CA C 56.745 0.300 1 265 25 25 LEU CB C 41.766 0.300 1 266 25 25 LEU CG C 27.498 0.300 1 267 25 25 LEU CD1 C 26.102 0.300 2 268 25 25 LEU CD2 C 22.467 0.300 2 269 25 25 LEU N N 121.519 0.300 1 270 26 26 THR H H 9.346 0.030 1 271 26 26 THR HA H 4.449 0.030 1 272 26 26 THR HB H 4.381 0.030 1 273 26 26 THR HG2 H 1.223 0.030 1 274 26 26 THR C C 174.511 0.300 1 275 26 26 THR CA C 61.589 0.300 1 276 26 26 THR CB C 70.677 0.300 1 277 26 26 THR CG2 C 22.174 0.300 1 278 26 26 THR N N 110.682 0.300 1 279 27 27 LYS H H 8.053 0.030 1 280 27 27 LYS HA H 4.903 0.030 1 281 27 27 LYS HB2 H 1.689 0.030 2 282 27 27 LYS HB3 H 2.359 0.030 2 283 27 27 LYS HG2 H 1.475 0.030 1 284 27 27 LYS HG3 H 1.475 0.030 1 285 27 27 LYS HD2 H 1.708 0.030 1 286 27 27 LYS HD3 H 1.708 0.030 1 287 27 27 LYS HE2 H 2.969 0.030 1 288 27 27 LYS HE3 H 2.969 0.030 1 289 27 27 LYS C C 176.055 0.300 1 290 27 27 LYS CA C 55.336 0.300 1 291 27 27 LYS CB C 35.940 0.300 1 292 27 27 LYS CG C 24.812 0.300 1 293 27 27 LYS CD C 29.433 0.300 1 294 27 27 LYS CE C 42.131 0.300 1 295 27 27 LYS N N 121.502 0.300 1 296 28 28 ILE H H 9.441 0.030 1 297 28 28 ILE HA H 3.785 0.030 1 298 28 28 ILE HB H 2.297 0.030 1 299 28 28 ILE HG12 H 1.831 0.030 2 300 28 28 ILE HG13 H 1.698 0.030 2 301 28 28 ILE HG2 H 0.741 0.030 1 302 28 28 ILE HD1 H 1.031 0.030 1 303 28 28 ILE C C 177.330 0.300 1 304 28 28 ILE CA C 61.752 0.300 1 305 28 28 ILE CB C 36.248 0.300 1 306 28 28 ILE CG1 C 28.608 0.300 1 307 28 28 ILE CG2 C 17.419 0.300 1 308 28 28 ILE CD1 C 10.325 0.300 1 309 28 28 ILE N N 126.464 0.300 1 310 29 29 GLU H H 11.301 0.030 1 311 29 29 GLU HA H 3.555 0.030 1 312 29 29 GLU HB2 H 1.871 0.030 2 313 29 29 GLU HB3 H 2.088 0.030 2 314 29 29 GLU HG2 H 2.827 0.030 2 315 29 29 GLU HG3 H 2.090 0.030 2 316 29 29 GLU C C 178.746 0.300 1 317 29 29 GLU CA C 61.764 0.300 1 318 29 29 GLU CB C 29.176 0.300 1 319 29 29 GLU CG C 38.677 0.300 1 320 29 29 GLU N N 119.149 0.300 1 321 30 30 GLN H H 7.713 0.030 1 322 30 30 GLN HA H 4.137 0.030 1 323 30 30 GLN HB2 H 2.178 0.030 2 324 30 30 GLN HB3 H 2.610 0.030 2 325 30 30 GLN HG2 H 2.603 0.030 2 326 30 30 GLN HG3 H 2.375 0.030 2 327 30 30 GLN HE21 H 7.680 0.030 2 328 30 30 GLN HE22 H 6.968 0.030 2 329 30 30 GLN C C 177.744 0.300 1 330 30 30 GLN CA C 58.354 0.300 1 331 30 30 GLN CB C 29.433 0.300 1 332 30 30 GLN CG C 35.925 0.300 1 333 30 30 GLN N N 116.065 0.300 1 334 30 30 GLN NE2 N 111.053 0.300 1 335 31 31 LEU H H 8.155 0.030 1 336 31 31 LEU HA H 4.129 0.030 1 337 31 31 LEU HB2 H 2.109 0.030 2 338 31 31 LEU HB3 H 1.665 0.030 2 339 31 31 LEU HG H 1.611 0.030 1 340 31 31 LEU HD1 H 1.112 0.030 1 341 31 31 LEU HD2 H 0.478 0.030 1 342 31 31 LEU C C 176.960 0.300 1 343 31 31 LEU CA C 56.132 0.300 1 344 31 31 LEU CB C 41.061 0.300 1 345 31 31 LEU CG C 27.312 0.300 1 346 31 31 LEU CD1 C 25.459 0.300 2 347 31 31 LEU CD2 C 23.013 0.300 2 348 31 31 LEU N N 119.960 0.300 1 349 32 32 CYS H H 7.553 0.030 1 350 32 32 CYS HA H 4.402 0.030 1 351 32 32 CYS HB2 H 3.643 0.030 2 352 32 32 CYS HB3 H 2.744 0.030 2 353 32 32 CYS C C 171.820 0.300 1 354 32 32 CYS CA C 59.358 0.300 1 355 32 32 CYS CB C 28.636 0.300 1 356 32 32 CYS N N 116.321 0.300 1 357 33 33 SER H H 6.548 0.030 1 358 33 33 SER HA H 3.730 0.030 1 359 33 33 SER HB2 H 3.900 0.030 2 360 33 33 SER HB3 H 3.432 0.030 2 361 33 33 SER C C 176.116 0.300 1 362 33 33 SER CA C 56.359 0.300 1 363 33 33 SER CB C 65.670 0.300 1 364 33 33 SER N N 111.835 0.300 1 365 34 34 GLY H H 7.510 0.030 1 366 34 34 GLY HA2 H 2.878 0.030 1 367 34 34 GLY HA3 H 2.878 0.030 1 368 34 34 GLY C C 172.954 0.300 1 369 34 34 GLY CA C 46.468 0.300 1 370 34 34 GLY N N 108.908 0.300 1 371 35 35 ALA H H 6.909 0.030 1 372 35 35 ALA HA H 3.407 0.030 1 373 35 35 ALA HB H 1.164 0.030 1 374 35 35 ALA C C 177.998 0.300 1 375 35 35 ALA CA C 55.861 0.300 1 376 35 35 ALA CB C 19.129 0.300 1 377 35 35 ALA N N 122.465 0.300 1 378 36 36 ALA H H 7.884 0.030 1 379 36 36 ALA HA H 3.944 0.030 1 380 36 36 ALA HB H 0.884 0.030 1 381 36 36 ALA C C 179.385 0.300 1 382 36 36 ALA CA C 54.860 0.300 1 383 36 36 ALA CB C 16.348 0.300 1 384 36 36 ALA N N 119.546 0.300 1 385 37 37 TYR H H 7.374 0.030 1 386 37 37 TYR HA H 4.095 0.030 1 387 37 37 TYR HB2 H 2.618 0.030 2 388 37 37 TYR HB3 H 3.099 0.030 2 389 37 37 TYR HD1 H 6.305 0.030 1 390 37 37 TYR HD2 H 6.305 0.030 1 391 37 37 TYR HE1 H 6.711 0.030 1 392 37 37 TYR HE2 H 6.711 0.030 1 393 37 37 TYR C C 178.130 0.300 1 394 37 37 TYR CA C 60.804 0.300 1 395 37 37 TYR CB C 39.238 0.300 1 396 37 37 TYR CD1 C 131.745 0.300 1 397 37 37 TYR CD2 C 131.745 0.300 1 398 37 37 TYR CE1 C 117.568 0.300 1 399 37 37 TYR CE2 C 117.568 0.300 1 400 37 37 TYR N N 114.211 0.300 1 401 38 38 CYS H H 7.449 0.030 1 402 38 38 CYS HA H 4.002 0.030 1 403 38 38 CYS HB2 H 3.169 0.030 2 404 38 38 CYS HB3 H 2.282 0.030 2 405 38 38 CYS C C 175.813 0.300 1 406 38 38 CYS CA C 64.966 0.300 1 407 38 38 CYS CB C 27.631 0.300 1 408 38 38 CYS N N 115.843 0.300 1 409 39 39 GLN H H 8.157 0.030 1 410 39 39 GLN HA H 3.952 0.030 1 411 39 39 GLN HB2 H 2.301 0.030 2 412 39 39 GLN HB3 H 2.122 0.030 2 413 39 39 GLN HG2 H 2.451 0.030 2 414 39 39 GLN HG3 H 2.267 0.030 2 415 39 39 GLN HE21 H 7.224 0.030 2 416 39 39 GLN HE22 H 6.366 0.030 2 417 39 39 GLN C C 178.722 0.300 1 418 39 39 GLN CA C 59.867 0.300 1 419 39 39 GLN CB C 29.370 0.300 1 420 39 39 GLN CG C 34.747 0.300 1 421 39 39 GLN N N 119.310 0.300 1 422 39 39 GLN NE2 N 109.475 0.300 1 423 40 40 PHE H H 8.740 0.030 1 424 40 40 PHE HA H 4.365 0.030 1 425 40 40 PHE HB2 H 3.290 0.030 2 426 40 40 PHE HB3 H 3.516 0.030 2 427 40 40 PHE HD1 H 7.009 0.030 1 428 40 40 PHE HD2 H 7.009 0.030 1 429 40 40 PHE HE1 H 6.667 0.030 1 430 40 40 PHE HE2 H 6.667 0.030 1 431 40 40 PHE HZ H 6.492 0.030 1 432 40 40 PHE C C 178.142 0.300 1 433 40 40 PHE CA C 61.165 0.300 1 434 40 40 PHE CB C 39.961 0.300 1 435 40 40 PHE CD1 C 130.787 0.300 1 436 40 40 PHE CD2 C 130.787 0.300 1 437 40 40 PHE CE1 C 130.827 0.300 1 438 40 40 PHE CE2 C 130.827 0.300 1 439 40 40 PHE CZ C 130.202 0.300 1 440 40 40 PHE N N 120.444 0.300 1 441 41 41 MET H H 8.645 0.030 1 442 41 41 MET HA H 4.597 0.030 1 443 41 41 MET HB2 H 2.344 0.030 2 444 41 41 MET HB3 H 2.496 0.030 2 445 41 41 MET HG2 H 3.012 0.030 2 446 41 41 MET HG3 H 2.955 0.030 2 447 41 41 MET HE H 2.097 0.030 1 448 41 41 MET C C 177.081 0.300 1 449 41 41 MET CA C 58.338 0.300 1 450 41 41 MET CB C 31.766 0.300 1 451 41 41 MET CG C 33.814 0.300 1 452 41 41 MET CE C 18.411 0.300 1 453 41 41 MET N N 118.180 0.300 1 454 42 42 ASP H H 7.772 0.030 1 455 42 42 ASP HA H 4.571 0.030 1 456 42 42 ASP HB2 H 2.577 0.030 2 457 42 42 ASP HB3 H 2.667 0.030 2 458 42 42 ASP C C 175.633 0.300 1 459 42 42 ASP CA C 57.079 0.300 1 460 42 42 ASP CB C 43.753 0.300 1 461 42 42 ASP N N 117.360 0.300 1 462 43 43 MET H H 7.590 0.030 1 463 43 43 MET HA H 4.066 0.030 1 464 43 43 MET HB2 H 2.253 0.030 2 465 43 43 MET HB3 H 2.374 0.030 2 466 43 43 MET HG2 H 2.667 0.030 2 467 43 43 MET HG3 H 2.440 0.030 2 468 43 43 MET HE H 1.889 0.030 1 469 43 43 MET C C 177.817 0.300 1 470 43 43 MET CA C 58.502 0.300 1 471 43 43 MET CB C 33.535 0.300 1 472 43 43 MET CG C 31.496 0.300 1 473 43 43 MET CE C 16.767 0.300 1 474 43 43 MET N N 115.940 0.300 1 475 44 44 LEU H H 8.032 0.030 1 476 44 44 LEU HA H 3.884 0.030 1 477 44 44 LEU HB2 H 1.554 0.030 2 478 44 44 LEU HB3 H 0.832 0.030 2 479 44 44 LEU HG H 1.425 0.030 1 480 44 44 LEU HD1 H 0.642 0.030 1 481 44 44 LEU HD2 H 0.612 0.030 1 482 44 44 LEU C C 176.743 0.300 1 483 44 44 LEU CA C 56.876 0.300 1 484 44 44 LEU CB C 43.936 0.300 1 485 44 44 LEU CG C 26.727 0.300 1 486 44 44 LEU CD1 C 25.000 0.300 2 487 44 44 LEU CD2 C 23.556 0.300 2 488 44 44 LEU N N 118.588 0.300 1 489 45 45 PHE H H 8.478 0.030 1 490 45 45 PHE HA H 5.115 0.030 1 491 45 45 PHE HB2 H 3.191 0.030 2 492 45 45 PHE HB3 H 3.313 0.030 2 493 45 45 PHE HD1 H 7.499 0.030 1 494 45 45 PHE HD2 H 7.499 0.030 1 495 45 45 PHE HE1 H 7.336 0.030 1 496 45 45 PHE HE2 H 7.336 0.030 1 497 45 45 PHE C C 171.627 0.300 1 498 45 45 PHE CA C 54.092 0.300 1 499 45 45 PHE CB C 39.189 0.300 1 500 45 45 PHE CD1 C 133.466 0.300 1 501 45 45 PHE CD2 C 133.466 0.300 1 502 45 45 PHE CE1 C 130.881 0.300 1 503 45 45 PHE CE2 C 130.881 0.300 1 504 45 45 PHE N N 116.289 0.300 1 505 46 46 PRO HA H 4.854 0.030 1 506 46 46 PRO HB2 H 2.436 0.030 2 507 46 46 PRO HB3 H 1.972 0.030 2 508 46 46 PRO HG2 H 2.129 0.030 1 509 46 46 PRO HG3 H 2.129 0.030 1 510 46 46 PRO HD2 H 3.643 0.030 2 511 46 46 PRO HD3 H 3.438 0.030 2 512 46 46 PRO C C 178.782 0.300 1 513 46 46 PRO CA C 64.856 0.300 1 514 46 46 PRO CB C 31.591 0.300 1 515 46 46 PRO CG C 27.600 0.300 1 516 46 46 PRO CD C 50.156 0.300 1 517 47 47 GLY H H 9.237 0.030 1 518 47 47 GLY HA2 H 3.905 0.030 2 519 47 47 GLY HA3 H 4.456 0.030 2 520 47 47 GLY C C 175.368 0.300 1 521 47 47 GLY CA C 45.478 0.300 1 522 47 47 GLY N N 115.177 0.300 1 523 48 48 SER H H 8.760 0.030 1 524 48 48 SER HA H 4.063 0.030 1 525 48 48 SER HB2 H 3.840 0.030 2 526 48 48 SER HB3 H 4.228 0.030 2 527 48 48 SER C C 173.955 0.300 1 528 48 48 SER CA C 61.281 0.300 1 529 48 48 SER CB C 63.869 0.300 1 530 48 48 SER N N 116.553 0.300 1 531 49 49 ILE H H 7.774 0.030 1 532 49 49 ILE HA H 4.643 0.030 1 533 49 49 ILE HB H 1.870 0.030 1 534 49 49 ILE HG12 H 1.598 0.030 2 535 49 49 ILE HG13 H 1.528 0.030 2 536 49 49 ILE HG2 H 0.841 0.030 1 537 49 49 ILE HD1 H 0.909 0.030 1 538 49 49 ILE C C 175.114 0.300 1 539 49 49 ILE CA C 57.436 0.300 1 540 49 49 ILE CB C 41.574 0.300 1 541 49 49 ILE CG1 C 25.690 0.300 1 542 49 49 ILE CG2 C 18.479 0.300 1 543 49 49 ILE CD1 C 13.471 0.300 1 544 49 49 ILE N N 116.715 0.300 1 545 50 50 ALA H H 7.894 0.030 1 546 50 50 ALA HA H 4.711 0.030 1 547 50 50 ALA HB H 1.359 0.030 1 548 50 50 ALA C C 176.067 0.300 1 549 50 50 ALA CA C 50.583 0.300 1 550 50 50 ALA CB C 16.578 0.300 1 551 50 50 ALA N N 128.609 0.300 1 552 51 51 LEU H H 7.949 0.030 1 553 51 51 LEU HA H 3.902 0.030 1 554 51 51 LEU HB2 H 1.589 0.030 2 555 51 51 LEU HB3 H 1.835 0.030 2 556 51 51 LEU HG H 1.849 0.030 1 557 51 51 LEU HD1 H 0.966 0.030 1 558 51 51 LEU HD2 H 1.013 0.030 1 559 51 51 LEU C C 178.686 0.300 1 560 51 51 LEU CA C 57.895 0.300 1 561 51 51 LEU CB C 42.873 0.300 1 562 51 51 LEU CG C 26.894 0.300 1 563 51 51 LEU CD1 C 24.262 0.300 2 564 51 51 LEU CD2 C 24.569 0.300 2 565 51 51 LEU N N 126.486 0.300 1 566 52 52 LYS H H 8.586 0.030 1 567 52 52 LYS HA H 4.247 0.030 1 568 52 52 LYS HB2 H 1.904 0.030 1 569 52 52 LYS HB3 H 1.904 0.030 1 570 52 52 LYS HG2 H 1.529 0.030 1 571 52 52 LYS HG3 H 1.529 0.030 1 572 52 52 LYS HD2 H 1.736 0.030 2 573 52 52 LYS HD3 H 1.670 0.030 2 574 52 52 LYS HE2 H 3.045 0.030 1 575 52 52 LYS HE3 H 3.045 0.030 1 576 52 52 LYS C C 177.189 0.300 1 577 52 52 LYS CA C 58.250 0.300 1 578 52 52 LYS CB C 31.892 0.300 1 579 52 52 LYS CG C 25.454 0.300 1 580 52 52 LYS CD C 28.980 0.300 1 581 52 52 LYS CE C 42.208 0.300 1 582 52 52 LYS N N 114.870 0.300 1 583 53 53 LYS H H 7.805 0.030 1 584 53 53 LYS HA H 4.339 0.030 1 585 53 53 LYS HB2 H 1.920 0.030 2 586 53 53 LYS HB3 H 2.058 0.030 2 587 53 53 LYS HG2 H 1.503 0.030 2 588 53 53 LYS HG3 H 1.368 0.030 2 589 53 53 LYS HD2 H 1.693 0.030 1 590 53 53 LYS HD3 H 1.693 0.030 1 591 53 53 LYS HE2 H 2.980 0.030 1 592 53 53 LYS HE3 H 2.980 0.030 1 593 53 53 LYS C C 175.838 0.300 1 594 53 53 LYS CA C 55.754 0.300 1 595 53 53 LYS CB C 33.228 0.300 1 596 53 53 LYS CG C 25.631 0.300 1 597 53 53 LYS CD C 28.894 0.300 1 598 53 53 LYS CE C 42.110 0.300 1 599 53 53 LYS N N 116.636 0.300 1 600 54 54 VAL H H 7.368 0.030 1 601 54 54 VAL HA H 3.453 0.030 1 602 54 54 VAL HB H 1.930 0.030 1 603 54 54 VAL HG1 H 0.956 0.030 1 604 54 54 VAL HG2 H -0.106 0.030 1 605 54 54 VAL C C 175.193 0.300 1 606 54 54 VAL CA C 62.947 0.300 1 607 54 54 VAL CB C 32.097 0.300 1 608 54 54 VAL CG1 C 23.756 0.300 2 609 54 54 VAL CG2 C 19.536 0.300 2 610 54 54 VAL N N 121.930 0.300 1 611 55 55 LYS H H 9.141 0.030 1 612 55 55 LYS HA H 4.605 0.030 1 613 55 55 LYS HB2 H 1.811 0.030 2 614 55 55 LYS HB3 H 1.746 0.030 2 615 55 55 LYS HG2 H 1.440 0.030 1 616 55 55 LYS HG3 H 1.440 0.030 1 617 55 55 LYS HD2 H 1.670 0.030 1 618 55 55 LYS HD3 H 1.670 0.030 1 619 55 55 LYS HE2 H 3.064 0.030 1 620 55 55 LYS HE3 H 3.064 0.030 1 621 55 55 LYS C C 176.683 0.300 1 622 55 55 LYS CA C 54.080 0.300 1 623 55 55 LYS CB C 31.671 0.300 1 624 55 55 LYS CG C 24.699 0.300 1 625 55 55 LYS CD C 28.915 0.300 1 626 55 55 LYS CE C 42.396 0.300 1 627 55 55 LYS N N 127.456 0.300 1 628 56 56 PHE H H 8.587 0.030 1 629 56 56 PHE HA H 4.001 0.030 1 630 56 56 PHE HB2 H 2.920 0.030 2 631 56 56 PHE HB3 H 3.162 0.030 2 632 56 56 PHE HD1 H 7.282 0.030 1 633 56 56 PHE HD2 H 7.282 0.030 1 634 56 56 PHE HE1 H 7.282 0.030 1 635 56 56 PHE HE2 H 7.282 0.030 1 636 56 56 PHE HZ H 7.049 0.030 1 637 56 56 PHE C C 176.514 0.300 1 638 56 56 PHE CA C 61.630 0.300 1 639 56 56 PHE CB C 38.901 0.300 1 640 56 56 PHE CD1 C 131.640 0.300 1 641 56 56 PHE CD2 C 131.640 0.300 1 642 56 56 PHE CE1 C 131.640 0.300 1 643 56 56 PHE CE2 C 131.640 0.300 1 644 56 56 PHE CZ C 129.071 0.300 1 645 56 56 PHE N N 125.131 0.300 1 646 57 57 GLN H H 8.879 0.030 1 647 57 57 GLN HA H 4.618 0.030 1 648 57 57 GLN HB2 H 2.310 0.030 2 649 57 57 GLN HB3 H 2.002 0.030 2 650 57 57 GLN HG2 H 2.356 0.030 1 651 57 57 GLN HG3 H 2.356 0.030 1 652 57 57 GLN HE21 H 7.546 0.030 2 653 57 57 GLN HE22 H 6.886 0.030 2 654 57 57 GLN C C 174.752 0.300 1 655 57 57 GLN CA C 54.407 0.300 1 656 57 57 GLN CB C 26.971 0.300 1 657 57 57 GLN CG C 33.893 0.300 1 658 57 57 GLN N N 119.240 0.300 1 659 57 57 GLN NE2 N 112.672 0.300 1 660 58 58 ALA H H 7.015 0.030 1 661 58 58 ALA HA H 4.086 0.030 1 662 58 58 ALA HB H 1.544 0.030 1 663 58 58 ALA C C 176.863 0.300 1 664 58 58 ALA CA C 53.141 0.300 1 665 58 58 ALA CB C 20.904 0.300 1 666 58 58 ALA N N 121.081 0.300 1 667 59 59 LYS H H 8.988 0.030 1 668 59 59 LYS HA H 4.813 0.030 1 669 59 59 LYS HB2 H 1.968 0.030 2 670 59 59 LYS HB3 H 1.795 0.030 2 671 59 59 LYS HG2 H 1.543 0.030 1 672 59 59 LYS HG3 H 1.543 0.030 1 673 59 59 LYS HD2 H 1.742 0.030 2 674 59 59 LYS HD3 H 1.698 0.030 2 675 59 59 LYS HE2 H 3.036 0.030 1 676 59 59 LYS HE3 H 3.036 0.030 1 677 59 59 LYS C C 174.402 0.300 1 678 59 59 LYS CA C 56.019 0.300 1 679 59 59 LYS CB C 35.903 0.300 1 680 59 59 LYS CG C 24.460 0.300 1 681 59 59 LYS CD C 27.996 0.300 1 682 59 59 LYS CE C 42.366 0.300 1 683 59 59 LYS N N 119.743 0.300 1 684 60 60 LEU H H 7.650 0.030 1 685 60 60 LEU HA H 4.550 0.030 1 686 60 60 LEU HB2 H 1.232 0.030 2 687 60 60 LEU HB3 H 1.493 0.030 2 688 60 60 LEU HG H 1.529 0.030 1 689 60 60 LEU HD1 H 0.964 0.030 1 690 60 60 LEU HD2 H 0.924 0.030 1 691 60 60 LEU C C 176.393 0.300 1 692 60 60 LEU CA C 52.673 0.300 1 693 60 60 LEU CB C 45.014 0.300 1 694 60 60 LEU CG C 26.948 0.300 1 695 60 60 LEU CD1 C 26.002 0.300 2 696 60 60 LEU CD2 C 22.868 0.300 2 697 60 60 LEU N N 119.182 0.300 1 698 61 61 GLU H H 8.665 0.030 1 699 61 61 GLU HA H 3.487 0.030 1 700 61 61 GLU HB2 H 2.127 0.030 2 701 61 61 GLU HB3 H 1.970 0.030 2 702 61 61 GLU HG2 H 2.221 0.030 1 703 61 61 GLU HG3 H 2.221 0.030 1 704 61 61 GLU C C 177.563 0.300 1 705 61 61 GLU CA C 60.925 0.300 1 706 61 61 GLU CB C 29.876 0.300 1 707 61 61 GLU CG C 37.145 0.300 1 708 61 61 GLU N N 122.850 0.300 1 709 62 62 HIS H H 8.417 0.030 1 710 62 62 HIS HA H 4.331 0.030 1 711 62 62 HIS HB2 H 3.083 0.030 2 712 62 62 HIS HB3 H 3.260 0.030 2 713 62 62 HIS HD2 H 7.047 0.030 1 714 62 62 HIS HE1 H 7.851 0.030 1 715 62 62 HIS C C 177.720 0.300 1 716 62 62 HIS CA C 59.573 0.300 1 717 62 62 HIS CB C 29.197 0.300 1 718 62 62 HIS CD2 C 119.339 0.300 1 719 62 62 HIS CE1 C 138.864 0.300 1 720 62 62 HIS N N 113.167 0.300 1 721 63 63 GLU H H 6.952 0.030 1 722 63 63 GLU HA H 4.082 0.030 1 723 63 63 GLU HB2 H 2.482 0.030 2 724 63 63 GLU HB3 H 1.787 0.030 2 725 63 63 GLU HG2 H 1.977 0.030 2 726 63 63 GLU HG3 H 1.694 0.030 2 727 63 63 GLU C C 178.179 0.300 1 728 63 63 GLU CA C 58.251 0.300 1 729 63 63 GLU CB C 31.188 0.300 1 730 63 63 GLU CG C 37.298 0.300 1 731 63 63 GLU N N 120.465 0.300 1 732 64 64 TYR H H 7.632 0.030 1 733 64 64 TYR HA H 4.857 0.030 1 734 64 64 TYR HB2 H 3.881 0.030 2 735 64 64 TYR HB3 H 3.588 0.030 2 736 64 64 TYR HD1 H 6.984 0.030 1 737 64 64 TYR HD2 H 6.984 0.030 1 738 64 64 TYR HE1 H 6.620 0.030 1 739 64 64 TYR HE2 H 6.620 0.030 1 740 64 64 TYR C C 178.939 0.300 1 741 64 64 TYR CA C 56.609 0.300 1 742 64 64 TYR CB C 36.484 0.300 1 743 64 64 TYR CD1 C 131.680 0.300 1 744 64 64 TYR CD2 C 131.680 0.300 1 745 64 64 TYR CE1 C 117.698 0.300 1 746 64 64 TYR CE2 C 117.698 0.300 1 747 64 64 TYR N N 120.009 0.300 1 748 65 65 ILE H H 8.486 0.030 1 749 65 65 ILE HA H 3.609 0.030 1 750 65 65 ILE HB H 1.963 0.030 1 751 65 65 ILE HG12 H 1.007 0.030 2 752 65 65 ILE HG13 H 2.024 0.030 2 753 65 65 ILE HG2 H 0.966 0.030 1 754 65 65 ILE HD1 H 0.966 0.030 1 755 65 65 ILE C C 177.635 0.300 1 756 65 65 ILE CA C 66.174 0.300 1 757 65 65 ILE CB C 38.492 0.300 1 758 65 65 ILE CG1 C 30.706 0.300 1 759 65 65 ILE CG2 C 17.042 0.300 1 760 65 65 ILE CD1 C 13.709 0.300 1 761 65 65 ILE N N 117.453 0.300 1 762 66 66 GLN H H 7.513 0.030 1 763 66 66 GLN HA H 4.042 0.030 1 764 66 66 GLN HB2 H 2.312 0.030 2 765 66 66 GLN HB3 H 2.360 0.030 2 766 66 66 GLN HG2 H 2.536 0.030 2 767 66 66 GLN HG3 H 2.621 0.030 2 768 66 66 GLN HE21 H 7.380 0.030 2 769 66 66 GLN HE22 H 7.125 0.030 2 770 66 66 GLN C C 178.372 0.300 1 771 66 66 GLN CA C 59.408 0.300 1 772 66 66 GLN CB C 27.898 0.300 1 773 66 66 GLN CG C 33.951 0.300 1 774 66 66 GLN N N 118.522 0.300 1 775 66 66 GLN NE2 N 112.258 0.300 1 776 67 67 ASN H H 7.987 0.030 1 777 67 67 ASN HA H 4.451 0.030 1 778 67 67 ASN HB2 H 3.598 0.030 2 779 67 67 ASN HB3 H 2.074 0.030 2 780 67 67 ASN HD21 H 7.681 0.030 2 781 67 67 ASN HD22 H 7.154 0.030 2 782 67 67 ASN C C 177.563 0.300 1 783 67 67 ASN CA C 55.584 0.300 1 784 67 67 ASN CB C 37.086 0.300 1 785 67 67 ASN N N 118.891 0.300 1 786 67 67 ASN ND2 N 105.649 0.300 1 787 68 68 PHE H H 8.426 0.030 1 788 68 68 PHE HA H 4.197 0.030 1 789 68 68 PHE HB2 H 2.951 0.030 1 790 68 68 PHE HB3 H 2.951 0.030 1 791 68 68 PHE HD1 H 7.083 0.030 1 792 68 68 PHE HD2 H 7.083 0.030 1 793 68 68 PHE HE1 H 7.220 0.030 1 794 68 68 PHE HE2 H 7.220 0.030 1 795 68 68 PHE HZ H 7.149 0.030 1 796 68 68 PHE C C 178.154 0.300 1 797 68 68 PHE CA C 63.710 0.300 1 798 68 68 PHE CB C 40.206 0.300 1 799 68 68 PHE CD1 C 131.378 0.300 1 800 68 68 PHE CD2 C 131.378 0.300 1 801 68 68 PHE CE1 C 131.666 0.300 1 802 68 68 PHE CE2 C 131.666 0.300 1 803 68 68 PHE CZ C 131.058 0.300 1 804 68 68 PHE N N 117.872 0.300 1 805 69 69 LYS H H 8.764 0.030 1 806 69 69 LYS HA H 4.205 0.030 1 807 69 69 LYS HB2 H 2.104 0.030 2 808 69 69 LYS HB3 H 1.955 0.030 2 809 69 69 LYS HG2 H 1.501 0.030 2 810 69 69 LYS HG3 H 1.753 0.030 2 811 69 69 LYS HD2 H 1.718 0.030 1 812 69 69 LYS HD3 H 1.718 0.030 1 813 69 69 LYS HE2 H 3.014 0.030 2 814 69 69 LYS HE3 H 3.111 0.030 2 815 69 69 LYS C C 180.254 0.300 1 816 69 69 LYS CA C 60.236 0.300 1 817 69 69 LYS CB C 32.165 0.300 1 818 69 69 LYS CG C 26.018 0.300 1 819 69 69 LYS CD C 29.561 0.300 1 820 69 69 LYS CE C 42.343 0.300 1 821 69 69 LYS N N 122.482 0.300 1 822 70 70 ILE H H 7.802 0.030 1 823 70 70 ILE HA H 3.799 0.030 1 824 70 70 ILE HB H 2.338 0.030 1 825 70 70 ILE HG12 H 1.214 0.030 2 826 70 70 ILE HG13 H 1.785 0.030 2 827 70 70 ILE HG2 H 0.952 0.030 1 828 70 70 ILE HD1 H 0.853 0.030 1 829 70 70 ILE C C 178.902 0.300 1 830 70 70 ILE CA C 64.989 0.300 1 831 70 70 ILE CB C 37.335 0.300 1 832 70 70 ILE CG1 C 29.179 0.300 1 833 70 70 ILE CG2 C 18.402 0.300 1 834 70 70 ILE CD1 C 14.403 0.300 1 835 70 70 ILE N N 123.891 0.300 1 836 71 71 LEU H H 7.820 0.030 1 837 71 71 LEU HA H 3.991 0.030 1 838 71 71 LEU HB2 H 1.558 0.030 2 839 71 71 LEU HB3 H 2.066 0.030 2 840 71 71 LEU HG H 1.010 0.030 1 841 71 71 LEU HD1 H 1.013 0.030 1 842 71 71 LEU HD2 H 1.052 0.030 1 843 71 71 LEU C C 177.503 0.300 1 844 71 71 LEU CA C 58.094 0.300 1 845 71 71 LEU CB C 41.510 0.300 1 846 71 71 LEU CG C 26.299 0.300 1 847 71 71 LEU CD1 C 27.403 0.300 2 848 71 71 LEU CD2 C 24.284 0.300 2 849 71 71 LEU N N 123.150 0.300 1 850 72 72 GLN H H 8.945 0.030 1 851 72 72 GLN HA H 3.798 0.030 1 852 72 72 GLN HB2 H 2.278 0.030 1 853 72 72 GLN HB3 H 2.278 0.030 1 854 72 72 GLN HG2 H 2.485 0.030 2 855 72 72 GLN HG3 H 2.419 0.030 2 856 72 72 GLN HE21 H 7.154 0.030 2 857 72 72 GLN HE22 H 7.883 0.030 2 858 72 72 GLN C C 178.191 0.300 1 859 72 72 GLN CA C 58.509 0.300 1 860 72 72 GLN CB C 29.831 0.300 1 861 72 72 GLN CG C 34.635 0.300 1 862 72 72 GLN N N 118.116 0.300 1 863 72 72 GLN NE2 N 115.154 0.300 1 864 73 73 ALA H H 7.966 0.030 1 865 73 73 ALA HA H 4.367 0.030 1 866 73 73 ALA HB H 1.649 0.030 1 867 73 73 ALA C C 180.664 0.300 1 868 73 73 ALA CA C 55.032 0.300 1 869 73 73 ALA CB C 17.946 0.300 1 870 73 73 ALA N N 121.835 0.300 1 871 74 74 GLY H H 8.194 0.030 1 872 74 74 GLY HA2 H 3.690 0.030 2 873 74 74 GLY HA3 H 4.206 0.030 2 874 74 74 GLY C C 175.270 0.300 1 875 74 74 GLY CA C 47.846 0.300 1 876 74 74 GLY N N 109.283 0.300 1 877 75 75 PHE H H 8.969 0.030 1 878 75 75 PHE HA H 4.394 0.030 1 879 75 75 PHE HB2 H 3.794 0.030 2 880 75 75 PHE HB3 H 3.589 0.030 2 881 75 75 PHE HD1 H 7.340 0.030 1 882 75 75 PHE HD2 H 7.340 0.030 1 883 75 75 PHE HE1 H 7.455 0.030 1 884 75 75 PHE HE2 H 7.455 0.030 1 885 75 75 PHE HZ H 7.558 0.030 1 886 75 75 PHE C C 177.950 0.300 1 887 75 75 PHE CA C 59.174 0.300 1 888 75 75 PHE CB C 36.523 0.300 1 889 75 75 PHE CD1 C 129.562 0.300 1 890 75 75 PHE CD2 C 129.562 0.300 1 891 75 75 PHE CE1 C 131.501 0.300 1 892 75 75 PHE CE2 C 131.501 0.300 1 893 75 75 PHE CZ C 127.419 0.300 1 894 75 75 PHE N N 122.395 0.300 1 895 76 76 LYS H H 8.349 0.030 1 896 76 76 LYS HA H 4.186 0.030 1 897 76 76 LYS HB2 H 2.089 0.030 1 898 76 76 LYS HB3 H 2.089 0.030 1 899 76 76 LYS HG2 H 1.574 0.030 2 900 76 76 LYS HG3 H 1.639 0.030 2 901 76 76 LYS C C 180.073 0.300 1 902 76 76 LYS CA C 59.504 0.300 1 903 76 76 LYS CB C 32.160 0.300 1 904 76 76 LYS CG C 25.184 0.300 1 905 76 76 LYS CD C 28.704 0.300 1 906 76 76 LYS CE C 41.891 0.300 1 907 76 76 LYS N N 119.641 0.300 1 908 77 77 ARG H H 8.237 0.030 1 909 77 77 ARG HA H 4.136 0.030 1 910 77 77 ARG HB2 H 2.080 0.030 2 911 77 77 ARG HB3 H 2.118 0.030 2 912 77 77 ARG HG2 H 1.857 0.030 2 913 77 77 ARG HG3 H 1.778 0.030 2 914 77 77 ARG HD2 H 3.302 0.030 2 915 77 77 ARG HD3 H 3.350 0.030 2 916 77 77 ARG C C 177.599 0.300 1 917 77 77 ARG CA C 59.191 0.300 1 918 77 77 ARG CB C 30.269 0.300 1 919 77 77 ARG CG C 27.668 0.300 1 920 77 77 ARG CD C 43.542 0.300 1 921 77 77 ARG N N 120.189 0.300 1 922 78 78 MET H H 7.673 0.030 1 923 78 78 MET HA H 4.693 0.030 1 924 78 78 MET HB2 H 1.822 0.030 2 925 78 78 MET HB3 H 1.951 0.030 2 926 78 78 MET HG2 H 2.491 0.030 2 927 78 78 MET HG3 H 2.275 0.030 2 928 78 78 MET HE H 1.725 0.030 1 929 78 78 MET C C 176.019 0.300 1 930 78 78 MET CA C 53.639 0.300 1 931 78 78 MET CB C 31.197 0.300 1 932 78 78 MET CG C 31.543 0.300 1 933 78 78 MET CE C 15.848 0.300 1 934 78 78 MET N N 113.507 0.300 1 935 79 79 GLY H H 7.817 0.030 1 936 79 79 GLY HA2 H 3.852 0.030 2 937 79 79 GLY HA3 H 4.046 0.030 2 938 79 79 GLY C C 174.112 0.300 1 939 79 79 GLY CA C 46.561 0.300 1 940 79 79 GLY N N 109.077 0.300 1 941 80 80 VAL H H 8.400 0.030 1 942 80 80 VAL HA H 3.793 0.030 1 943 80 80 VAL HB H 1.715 0.030 1 944 80 80 VAL HG1 H 0.139 0.030 1 945 80 80 VAL HG2 H 0.825 0.030 1 946 80 80 VAL C C 175.500 0.300 1 947 80 80 VAL CA C 62.271 0.300 1 948 80 80 VAL CB C 31.923 0.300 1 949 80 80 VAL CG1 C 20.371 0.300 2 950 80 80 VAL CG2 C 20.938 0.300 2 951 80 80 VAL N N 122.026 0.300 1 952 81 81 ASP H H 8.689 0.030 1 953 81 81 ASP HA H 4.508 0.030 1 954 81 81 ASP HB2 H 2.736 0.030 2 955 81 81 ASP HB3 H 2.584 0.030 2 956 81 81 ASP C C 174.450 0.300 1 957 81 81 ASP CA C 53.745 0.300 1 958 81 81 ASP CB C 39.934 0.300 1 959 81 81 ASP N N 129.190 0.300 1 960 82 82 LYS H H 7.065 0.030 1 961 82 82 LYS HA H 4.002 0.030 1 962 82 82 LYS HB2 H 1.145 0.030 2 963 82 82 LYS HB3 H 1.253 0.030 2 964 82 82 LYS HG2 H -0.359 0.030 2 965 82 82 LYS HG3 H 0.420 0.030 2 966 82 82 LYS HD2 H 1.187 0.030 2 967 82 82 LYS HD3 H 0.312 0.030 2 968 82 82 LYS HE2 H 1.403 0.030 2 969 82 82 LYS HE3 H 1.958 0.030 2 970 82 82 LYS C C 174.368 0.300 1 971 82 82 LYS CA C 54.917 0.300 1 972 82 82 LYS CB C 34.933 0.300 1 973 82 82 LYS CG C 23.073 0.300 1 974 82 82 LYS CD C 28.186 0.300 1 975 82 82 LYS CE C 41.824 0.300 1 976 82 82 LYS N N 122.996 0.300 1 977 83 83 ILE H H 8.580 0.030 1 978 83 83 ILE HA H 4.190 0.030 1 979 83 83 ILE HB H 1.769 0.030 1 980 83 83 ILE HG12 H 1.235 0.030 2 981 83 83 ILE HG13 H 1.515 0.030 2 982 83 83 ILE HG2 H 0.729 0.030 1 983 83 83 ILE HD1 H 0.791 0.030 1 984 83 83 ILE C C 175.741 0.300 1 985 83 83 ILE CA C 59.440 0.300 1 986 83 83 ILE CB C 36.786 0.300 1 987 83 83 ILE CG1 C 26.931 0.300 1 988 83 83 ILE CG2 C 17.141 0.300 1 989 83 83 ILE CD1 C 11.374 0.300 1 990 83 83 ILE N N 129.097 0.300 1 991 84 84 ILE H H 9.047 0.030 1 992 84 84 ILE HA H 3.711 0.030 1 993 84 84 ILE HB H 1.520 0.030 1 994 84 84 ILE HG12 H 0.758 0.030 2 995 84 84 ILE HG13 H 1.684 0.030 2 996 84 84 ILE HG2 H 0.052 0.030 1 997 84 84 ILE HD1 H 0.492 0.030 1 998 84 84 ILE C C 175.433 0.300 1 999 84 84 ILE CA C 59.571 0.300 1 1000 84 84 ILE CB C 39.076 0.300 1 1001 84 84 ILE CG1 C 28.099 0.300 1 1002 84 84 ILE CG2 C 17.262 0.300 1 1003 84 84 ILE CD1 C 14.003 0.300 1 1004 84 84 ILE N N 130.713 0.300 1 1005 85 85 PRO HA H 4.864 0.030 1 1006 85 85 PRO HB2 H 2.129 0.030 2 1007 85 85 PRO HB3 H 1.810 0.030 2 1008 85 85 PRO HG2 H 1.654 0.030 2 1009 85 85 PRO HG3 H 2.152 0.030 2 1010 85 85 PRO HD2 H 3.054 0.030 2 1011 85 85 PRO HD3 H 3.701 0.030 2 1012 85 85 PRO C C 175.036 0.300 1 1013 85 85 PRO CA C 61.452 0.300 1 1014 85 85 PRO CB C 27.516 0.300 1 1015 85 85 PRO CG C 26.960 0.300 1 1016 85 85 PRO CD C 50.372 0.300 1 1017 86 86 VAL H H 8.163 0.030 1 1018 86 86 VAL HA H 2.496 0.030 1 1019 86 86 VAL HB H 1.866 0.030 1 1020 86 86 VAL HG1 H 0.882 0.030 1 1021 86 86 VAL HG2 H 0.833 0.030 1 1022 86 86 VAL C C 174.957 0.300 1 1023 86 86 VAL CA C 67.546 0.300 1 1024 86 86 VAL CB C 32.626 0.300 1 1025 86 86 VAL CG1 C 21.920 0.300 2 1026 86 86 VAL CG2 C 22.810 0.300 2 1027 86 86 VAL N N 124.880 0.300 1 1028 87 87 ASP H H 8.239 0.030 1 1029 87 87 ASP HA H 4.128 0.030 1 1030 87 87 ASP HB2 H 2.484 0.030 2 1031 87 87 ASP HB3 H 2.580 0.030 2 1032 87 87 ASP C C 177.238 0.300 1 1033 87 87 ASP CA C 56.882 0.300 1 1034 87 87 ASP CB C 40.025 0.300 1 1035 87 87 ASP N N 114.083 0.300 1 1036 88 88 LYS H H 7.148 0.030 1 1037 88 88 LYS HA H 4.186 0.030 1 1038 88 88 LYS HB2 H 1.761 0.030 1 1039 88 88 LYS HB3 H 1.761 0.030 1 1040 88 88 LYS HG2 H 1.330 0.030 2 1041 88 88 LYS HG3 H 1.481 0.030 2 1042 88 88 LYS HD2 H 1.579 0.030 2 1043 88 88 LYS HD3 H 1.651 0.030 2 1044 88 88 LYS HE2 H 2.963 0.030 1 1045 88 88 LYS HE3 H 2.963 0.030 1 1046 88 88 LYS C C 178.999 0.300 1 1047 88 88 LYS CA C 57.799 0.300 1 1048 88 88 LYS CB C 32.992 0.300 1 1049 88 88 LYS CG C 25.192 0.300 1 1050 88 88 LYS CD C 28.733 0.300 1 1051 88 88 LYS CE C 42.101 0.300 1 1052 88 88 LYS N N 114.864 0.300 1 1053 89 89 LEU H H 7.824 0.030 1 1054 89 89 LEU HA H 3.818 0.030 1 1055 89 89 LEU HB2 H 1.057 0.030 2 1056 89 89 LEU HB3 H 1.181 0.030 2 1057 89 89 LEU HG H 1.270 0.030 1 1058 89 89 LEU HD1 H -0.400 0.030 1 1059 89 89 LEU HD2 H 0.466 0.030 1 1060 89 89 LEU C C 180.809 0.300 1 1061 89 89 LEU CA C 58.239 0.300 1 1062 89 89 LEU CB C 41.409 0.300 1 1063 89 89 LEU CG C 25.989 0.300 1 1064 89 89 LEU CD1 C 26.112 0.300 2 1065 89 89 LEU CD2 C 22.075 0.300 2 1066 89 89 LEU N N 118.776 0.300 1 1067 90 90 VAL H H 7.847 0.030 1 1068 90 90 VAL HA H 4.358 0.030 1 1069 90 90 VAL HB H 2.795 0.030 1 1070 90 90 VAL HG1 H 1.333 0.030 1 1071 90 90 VAL HG2 H 1.035 0.030 1 1072 90 90 VAL C C 175.114 0.300 1 1073 90 90 VAL CA C 64.458 0.300 1 1074 90 90 VAL CB C 31.914 0.300 1 1075 90 90 VAL CG1 C 22.221 0.300 2 1076 90 90 VAL CG2 C 17.412 0.300 2 1077 90 90 VAL N N 108.352 0.300 1 1078 91 91 LYS H H 7.023 0.030 1 1079 91 91 LYS HA H 4.378 0.030 1 1080 91 91 LYS HB2 H 2.030 0.030 2 1081 91 91 LYS HB3 H 2.094 0.030 2 1082 91 91 LYS HG2 H 1.687 0.030 1 1083 91 91 LYS HG3 H 1.687 0.030 1 1084 91 91 LYS HE2 H 3.081 0.030 1 1085 91 91 LYS HE3 H 3.081 0.030 1 1086 91 91 LYS C C 178.263 0.300 1 1087 91 91 LYS CA C 55.772 0.300 1 1088 91 91 LYS CB C 31.761 0.300 1 1089 91 91 LYS CG C 24.710 0.300 1 1090 91 91 LYS CD C 27.798 0.300 1 1091 91 91 LYS CE C 42.379 0.300 1 1092 91 91 LYS N N 116.166 0.300 1 1093 92 92 GLY H H 8.044 0.030 1 1094 92 92 GLY HA2 H 3.734 0.030 2 1095 92 92 GLY HA3 H 4.144 0.030 2 1096 92 92 GLY C C 173.365 0.300 1 1097 92 92 GLY CA C 47.075 0.300 1 1098 92 92 GLY N N 103.828 0.300 1 1099 93 93 LYS H H 8.753 0.030 1 1100 93 93 LYS HA H 4.735 0.030 1 1101 93 93 LYS HB2 H 2.066 0.030 2 1102 93 93 LYS HB3 H 2.111 0.030 2 1103 93 93 LYS HG2 H 1.579 0.030 2 1104 93 93 LYS HG3 H 1.498 0.030 2 1105 93 93 LYS C C 178.835 0.300 1 1106 93 93 LYS CA C 54.909 0.300 1 1107 93 93 LYS CB C 32.583 0.300 1 1108 93 93 LYS CG C 25.183 0.300 1 1109 93 93 LYS CD C 28.210 0.300 1 1110 93 93 LYS CE C 42.056 0.300 1 1111 93 93 LYS N N 117.105 0.300 1 1112 94 94 PHE H H 9.269 0.030 1 1113 94 94 PHE HA H 3.842 0.030 1 1114 94 94 PHE HB2 H 3.463 0.030 2 1115 94 94 PHE HB3 H 3.065 0.030 2 1116 94 94 PHE HD1 H 7.214 0.030 1 1117 94 94 PHE HD2 H 7.214 0.030 1 1118 94 94 PHE C C 176.791 0.300 1 1119 94 94 PHE CA C 63.898 0.300 1 1120 94 94 PHE CB C 39.430 0.300 1 1121 94 94 PHE CD1 C 131.991 0.300 1 1122 94 94 PHE CD2 C 131.991 0.300 1 1123 94 94 PHE N N 124.142 0.300 1 1124 95 95 GLN H H 9.342 0.030 1 1125 95 95 GLN HA H 3.799 0.030 1 1126 95 95 GLN HB2 H 2.427 0.030 2 1127 95 95 GLN HB3 H 2.066 0.030 2 1128 95 95 GLN HG2 H 2.580 0.030 2 1129 95 95 GLN HG3 H 2.498 0.030 2 1130 95 95 GLN HE21 H 8.066 0.030 2 1131 95 95 GLN HE22 H 6.965 0.030 2 1132 95 95 GLN C C 178.034 0.300 1 1133 95 95 GLN CA C 60.490 0.300 1 1134 95 95 GLN CB C 27.708 0.300 1 1135 95 95 GLN CG C 33.061 0.300 1 1136 95 95 GLN N N 118.991 0.300 1 1137 95 95 GLN NE2 N 112.729 0.300 1 1138 96 96 ASP H H 7.714 0.030 1 1139 96 96 ASP HA H 4.396 0.030 1 1140 96 96 ASP HB2 H 2.377 0.030 2 1141 96 96 ASP HB3 H 2.432 0.030 2 1142 96 96 ASP C C 178.673 0.300 1 1143 96 96 ASP CA C 56.925 0.300 1 1144 96 96 ASP CB C 41.449 0.300 1 1145 96 96 ASP N N 113.656 0.300 1 1146 97 97 ASN H H 7.301 0.030 1 1147 97 97 ASN HA H 4.490 0.030 1 1148 97 97 ASN HB2 H 2.740 0.030 2 1149 97 97 ASN HB3 H 2.338 0.030 2 1150 97 97 ASN HD21 H 7.957 0.030 2 1151 97 97 ASN HD22 H 7.406 0.030 2 1152 97 97 ASN C C 177.069 0.300 1 1153 97 97 ASN CA C 57.247 0.300 1 1154 97 97 ASN CB C 39.538 0.300 1 1155 97 97 ASN N N 116.544 0.300 1 1156 97 97 ASN ND2 N 110.311 0.300 1 1157 98 98 PHE H H 9.294 0.030 1 1158 98 98 PHE HA H 4.359 0.030 1 1159 98 98 PHE HB2 H 2.056 0.030 2 1160 98 98 PHE HB3 H 2.683 0.030 2 1161 98 98 PHE HD1 H 7.127 0.030 1 1162 98 98 PHE HD2 H 7.127 0.030 1 1163 98 98 PHE HE1 H 6.336 0.030 1 1164 98 98 PHE HE2 H 6.336 0.030 1 1165 98 98 PHE HZ H 7.331 0.030 1 1166 98 98 PHE C C 176.888 0.300 1 1167 98 98 PHE CA C 59.129 0.300 1 1168 98 98 PHE CB C 38.803 0.300 1 1169 98 98 PHE CD1 C 131.576 0.300 1 1170 98 98 PHE CD2 C 131.576 0.300 1 1171 98 98 PHE CE1 C 129.358 0.300 1 1172 98 98 PHE CE2 C 129.358 0.300 1 1173 98 98 PHE CZ C 131.053 0.300 1 1174 98 98 PHE N N 123.815 0.300 1 1175 99 99 GLU H H 8.270 0.030 1 1176 99 99 GLU HA H 3.917 0.030 1 1177 99 99 GLU HB2 H 2.166 0.030 2 1178 99 99 GLU HB3 H 2.113 0.030 2 1179 99 99 GLU HG2 H 2.634 0.030 2 1180 99 99 GLU HG3 H 2.369 0.030 2 1181 99 99 GLU C C 179.337 0.300 1 1182 99 99 GLU CA C 59.725 0.300 1 1183 99 99 GLU CB C 29.372 0.300 1 1184 99 99 GLU CG C 36.727 0.300 1 1185 99 99 GLU N N 118.938 0.300 1 1186 100 100 PHE H H 7.771 0.030 1 1187 100 100 PHE HA H 4.614 0.030 1 1188 100 100 PHE HB2 H 3.208 0.030 1 1189 100 100 PHE HB3 H 3.208 0.030 1 1190 100 100 PHE HD1 H 7.301 0.030 1 1191 100 100 PHE HD2 H 7.301 0.030 1 1192 100 100 PHE HE1 H 7.228 0.030 1 1193 100 100 PHE HE2 H 7.228 0.030 1 1194 100 100 PHE HZ H 7.151 0.030 1 1195 100 100 PHE C C 176.586 0.300 1 1196 100 100 PHE CA C 62.515 0.300 1 1197 100 100 PHE CB C 39.603 0.300 1 1198 100 100 PHE CD1 C 132.319 0.300 1 1199 100 100 PHE CD2 C 132.319 0.300 1 1200 100 100 PHE CE1 C 129.396 0.300 1 1201 100 100 PHE CE2 C 129.396 0.300 1 1202 100 100 PHE CZ C 130.860 0.300 1 1203 100 100 PHE N N 118.633 0.300 1 1204 101 101 VAL H H 8.127 0.030 1 1205 101 101 VAL HA H 4.361 0.030 1 1206 101 101 VAL HB H 2.741 0.030 1 1207 101 101 VAL HG1 H 1.293 0.030 1 1208 101 101 VAL HG2 H 1.434 0.030 1 1209 101 101 VAL C C 175.910 0.300 1 1210 101 101 VAL CA C 65.377 0.300 1 1211 101 101 VAL CB C 30.271 0.300 1 1212 101 101 VAL CG1 C 20.653 0.300 2 1213 101 101 VAL CG2 C 23.864 0.300 2 1214 101 101 VAL N N 119.662 0.300 1 1215 102 102 GLN H H 7.558 0.030 1 1216 102 102 GLN HA H 3.912 0.030 1 1217 102 102 GLN HB2 H 1.935 0.030 2 1218 102 102 GLN HB3 H 1.893 0.030 2 1219 102 102 GLN HG2 H 2.104 0.030 2 1220 102 102 GLN HG3 H 1.873 0.030 2 1221 102 102 GLN HE21 H 6.722 0.030 2 1222 102 102 GLN HE22 H 5.943 0.030 2 1223 102 102 GLN C C 178.444 0.300 1 1224 102 102 GLN CA C 59.722 0.300 1 1225 102 102 GLN CB C 30.006 0.300 1 1226 102 102 GLN CG C 35.203 0.300 1 1227 102 102 GLN N N 120.074 0.300 1 1228 102 102 GLN NE2 N 111.241 0.300 1 1229 103 103 TRP H H 7.513 0.030 1 1230 103 103 TRP HA H 3.848 0.030 1 1231 103 103 TRP HB2 H 3.267 0.030 2 1232 103 103 TRP HB3 H 3.393 0.030 2 1233 103 103 TRP HD1 H 7.286 0.030 1 1234 103 103 TRP HE1 H 10.071 0.030 1 1235 103 103 TRP HE3 H 6.722 0.030 1 1236 103 103 TRP HZ2 H 6.438 0.030 1 1237 103 103 TRP HZ3 H 6.730 0.030 1 1238 103 103 TRP HH2 H 5.814 0.030 1 1239 103 103 TRP C C 176.140 0.300 1 1240 103 103 TRP CA C 62.386 0.300 1 1241 103 103 TRP CB C 27.549 0.300 1 1242 103 103 TRP CD1 C 126.881 0.300 1 1243 103 103 TRP CE3 C 120.093 0.300 1 1244 103 103 TRP CZ2 C 114.008 0.300 1 1245 103 103 TRP CZ3 C 120.815 0.300 1 1246 103 103 TRP CH2 C 123.892 0.300 1 1247 103 103 TRP N N 120.960 0.300 1 1248 103 103 TRP NE1 N 129.974 0.300 1 1249 104 104 PHE H H 8.770 0.030 1 1250 104 104 PHE HA H 3.153 0.030 1 1251 104 104 PHE HB2 H 2.703 0.030 2 1252 104 104 PHE HB3 H 3.229 0.030 2 1253 104 104 PHE HD1 H 7.267 0.030 1 1254 104 104 PHE HD2 H 7.267 0.030 1 1255 104 104 PHE HE1 H 6.440 0.030 1 1256 104 104 PHE HE2 H 6.440 0.030 1 1257 104 104 PHE HZ H 7.123 0.030 1 1258 104 104 PHE C C 176.478 0.300 1 1259 104 104 PHE CA C 61.668 0.300 1 1260 104 104 PHE CB C 40.295 0.300 1 1261 104 104 PHE CD1 C 132.331 0.300 1 1262 104 104 PHE CD2 C 132.331 0.300 1 1263 104 104 PHE CE1 C 130.411 0.300 1 1264 104 104 PHE CE2 C 130.411 0.300 1 1265 104 104 PHE CZ C 128.302 0.300 1 1266 104 104 PHE N N 121.483 0.300 1 1267 105 105 LYS H H 8.656 0.030 1 1268 105 105 LYS HA H 3.442 0.030 1 1269 105 105 LYS HB2 H 1.433 0.030 2 1270 105 105 LYS HB3 H 1.227 0.030 2 1271 105 105 LYS HG2 H 0.664 0.030 2 1272 105 105 LYS HG3 H -0.142 0.030 2 1273 105 105 LYS HD2 H 0.668 0.030 2 1274 105 105 LYS HD3 H 0.422 0.030 2 1275 105 105 LYS HE2 H 1.754 0.030 2 1276 105 105 LYS HE3 H 2.358 0.030 2 1277 105 105 LYS C C 177.177 0.300 1 1278 105 105 LYS CA C 59.130 0.300 1 1279 105 105 LYS CB C 32.407 0.300 1 1280 105 105 LYS CG C 24.603 0.300 1 1281 105 105 LYS CD C 28.481 0.300 1 1282 105 105 LYS CE C 41.832 0.300 1 1283 105 105 LYS N N 118.561 0.300 1 1284 106 106 LYS H H 7.039 0.030 1 1285 106 106 LYS HA H 3.744 0.030 1 1286 106 106 LYS HB2 H 1.634 0.030 1 1287 106 106 LYS HB3 H 1.634 0.030 1 1288 106 106 LYS HG2 H 1.314 0.030 2 1289 106 106 LYS HG3 H 1.209 0.030 2 1290 106 106 LYS HD2 H 1.558 0.030 1 1291 106 106 LYS HD3 H 1.558 0.030 1 1292 106 106 LYS HE2 H 2.874 0.030 1 1293 106 106 LYS HE3 H 2.874 0.030 1 1294 106 106 LYS C C 178.154 0.300 1 1295 106 106 LYS CA C 58.800 0.300 1 1296 106 106 LYS CB C 31.693 0.300 1 1297 106 106 LYS CG C 24.866 0.300 1 1298 106 106 LYS CD C 29.101 0.300 1 1299 106 106 LYS CE C 42.079 0.300 1 1300 106 106 LYS N N 117.495 0.300 1 1301 107 107 PHE H H 7.812 0.030 1 1302 107 107 PHE HA H 3.598 0.030 1 1303 107 107 PHE HB2 H 1.628 0.030 2 1304 107 107 PHE HB3 H 1.549 0.030 2 1305 107 107 PHE HD1 H 6.027 0.030 1 1306 107 107 PHE HD2 H 6.027 0.030 1 1307 107 107 PHE HE1 H 6.976 0.030 1 1308 107 107 PHE HE2 H 6.976 0.030 1 1309 107 107 PHE HZ H 7.112 0.030 1 1310 107 107 PHE C C 177.177 0.300 1 1311 107 107 PHE CA C 60.597 0.300 1 1312 107 107 PHE CB C 38.558 0.300 1 1313 107 107 PHE CD1 C 131.489 0.300 1 1314 107 107 PHE CD2 C 131.489 0.300 1 1315 107 107 PHE CE1 C 130.669 0.300 1 1316 107 107 PHE CE2 C 130.669 0.300 1 1317 107 107 PHE CZ C 129.174 0.300 1 1318 107 107 PHE N N 119.993 0.300 1 1319 108 108 PHE H H 8.146 0.030 1 1320 108 108 PHE HA H 3.994 0.030 1 1321 108 108 PHE HB2 H 3.159 0.030 2 1322 108 108 PHE HB3 H 2.540 0.030 2 1323 108 108 PHE HD1 H 6.973 0.030 1 1324 108 108 PHE HD2 H 6.973 0.030 1 1325 108 108 PHE HZ H 7.149 0.030 1 1326 108 108 PHE C C 176.550 0.300 1 1327 108 108 PHE CA C 60.474 0.300 1 1328 108 108 PHE CB C 39.527 0.300 1 1329 108 108 PHE CD1 C 132.069 0.300 1 1330 108 108 PHE CD2 C 132.069 0.300 1 1331 108 108 PHE CZ C 131.058 0.300 1 1332 108 108 PHE N N 116.938 0.300 1 1333 109 109 ASP H H 8.234 0.030 1 1334 109 109 ASP HA H 4.653 0.030 1 1335 109 109 ASP HB2 H 2.517 0.030 2 1336 109 109 ASP HB3 H 2.641 0.030 2 1337 109 109 ASP C C 176.236 0.300 1 1338 109 109 ASP CA C 55.084 0.300 1 1339 109 109 ASP CB C 41.257 0.300 1 1340 109 109 ASP N N 119.932 0.300 1 1341 110 110 SER H H 7.893 0.030 1 1342 110 110 SER HA H 4.368 0.030 1 1343 110 110 SER HB2 H 3.841 0.030 2 1344 110 110 SER HB3 H 3.889 0.030 2 1345 110 110 SER C C 174.462 0.300 1 1346 110 110 SER CA C 59.027 0.300 1 1347 110 110 SER CB C 63.899 0.300 1 1348 110 110 SER N N 115.783 0.300 1 1349 111 111 GLY H H 7.974 0.030 1 1350 111 111 GLY HA2 H 3.979 0.030 1 1351 111 111 GLY HA3 H 3.979 0.030 1 1352 111 111 GLY C C 171.434 0.300 1 1353 111 111 GLY CA C 45.098 0.300 1 1354 111 111 GLY N N 110.503 0.300 1 1355 112 112 PRO HA H 4.413 0.030 1 1356 112 112 PRO HB2 H 2.201 0.030 2 1357 112 112 PRO HB3 H 1.967 0.030 2 1358 112 112 PRO HG2 H 1.918 0.030 1 1359 112 112 PRO HG3 H 1.918 0.030 1 1360 112 112 PRO HD2 H 3.533 0.030 1 1361 112 112 PRO HD3 H 3.533 0.030 1 1362 112 112 PRO C C 176.776 0.300 1 1363 112 112 PRO CA C 63.450 0.300 1 1364 112 112 PRO CB C 32.122 0.300 1 1365 112 112 PRO CG C 26.928 0.300 1 1366 112 112 PRO CD C 49.777 0.300 1 1367 113 113 SER H H 8.402 0.030 1 1368 113 113 SER HA H 4.503 0.030 1 1369 113 113 SER HB2 H 3.840 0.030 1 1370 113 113 SER HB3 H 3.840 0.030 1 1371 113 113 SER C C 174.306 0.300 1 1372 113 113 SER CA C 57.787 0.300 1 1373 113 113 SER CB C 63.911 0.300 1 1374 113 113 SER N N 115.993 0.300 1 1375 114 114 SER H H 8.309 0.030 1 1376 114 114 SER HA H 4.474 0.030 1 1377 114 114 SER HB2 H 3.884 0.030 1 1378 114 114 SER HB3 H 3.884 0.030 1 1379 114 114 SER C C 173.594 0.300 1 1380 114 114 SER CA C 58.457 0.300 1 1381 114 114 SER CB C 63.683 0.300 1 1382 114 114 SER N N 117.900 0.300 1 1383 115 115 GLY H H 8.054 0.030 1 1384 115 115 GLY HA2 H 3.796 0.030 1 1385 115 115 GLY HA3 H 3.796 0.030 1 1386 115 115 GLY C C 178.613 0.300 1 1387 115 115 GLY CA C 46.247 0.300 1 1388 115 115 GLY N N 116.879 0.300 1 stop_ save_