data_11575 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE SECOND PDZ DOMAIN OF HUMAN KIAA1526 PROTEIN ; _BMRB_accession_number 11575 _BMRB_flat_file_name bmr11575.str _Entry_type original _Submission_date 2014-09-08 _Accession_date 2014-09-08 _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 Hua . . 2 Tochio Naoya . . 3 Koshiba Seizo . . 4 Inoue Makoto . . 5 Muto Yutaka . . 6 Kigawa Takanori . . 7 Yokoyama Shigeyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 647 "13C chemical shifts" 516 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-10-15 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11574 'SOLUTION STRUCTURE OF THE FIRST PDZ DOMAIN OF HUMAN KIAA1526 PROTEIN' stop_ _Original_release_date 2014-10-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'SOLUTION STRUCTURE OF THE SECOND PDZ DOMAIN OF HUMAN KIAA1526 PROTEIN' _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 Hua . . 2 Tochio Naoya . . 3 Koshiba Seizo . . 4 Inoue Makoto . . 5 Muto Yutaka . . 6 Kigawa Takanori . . 7 Yokoyama Shigeyuki . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PDZ domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ domain' $PDZ_domain 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_PDZ_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PDZ_domain _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSSGSSGDRRSTLHLLQGGD EKKVNLVLGDGRSLGLTIRG GAEYGLGIYITGVDPGSEAE GSGLKVGDQILEVNGRSFLN ILHDEAVRLLKSSRHLILTV KDVGRLPHARTTVDETKWIA SSSGPSSG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 SER 4 4 GLY 5 5 SER 6 6 SER 7 7 GLY 8 8 ASP 9 9 ARG 10 10 ARG 11 11 SER 12 12 THR 13 13 LEU 14 14 HIS 15 15 LEU 16 16 LEU 17 17 GLN 18 18 GLY 19 19 GLY 20 20 ASP 21 21 GLU 22 22 LYS 23 23 LYS 24 24 VAL 25 25 ASN 26 26 LEU 27 27 VAL 28 28 LEU 29 29 GLY 30 30 ASP 31 31 GLY 32 32 ARG 33 33 SER 34 34 LEU 35 35 GLY 36 36 LEU 37 37 THR 38 38 ILE 39 39 ARG 40 40 GLY 41 41 GLY 42 42 ALA 43 43 GLU 44 44 TYR 45 45 GLY 46 46 LEU 47 47 GLY 48 48 ILE 49 49 TYR 50 50 ILE 51 51 THR 52 52 GLY 53 53 VAL 54 54 ASP 55 55 PRO 56 56 GLY 57 57 SER 58 58 GLU 59 59 ALA 60 60 GLU 61 61 GLY 62 62 SER 63 63 GLY 64 64 LEU 65 65 LYS 66 66 VAL 67 67 GLY 68 68 ASP 69 69 GLN 70 70 ILE 71 71 LEU 72 72 GLU 73 73 VAL 74 74 ASN 75 75 GLY 76 76 ARG 77 77 SER 78 78 PHE 79 79 LEU 80 80 ASN 81 81 ILE 82 82 LEU 83 83 HIS 84 84 ASP 85 85 GLU 86 86 ALA 87 87 VAL 88 88 ARG 89 89 LEU 90 90 LEU 91 91 LYS 92 92 SER 93 93 SER 94 94 ARG 95 95 HIS 96 96 LEU 97 97 ILE 98 98 LEU 99 99 THR 100 100 VAL 101 101 LYS 102 102 ASP 103 103 VAL 104 104 GLY 105 105 ARG 106 106 LEU 107 107 PRO 108 108 HIS 109 109 ALA 110 110 ARG 111 111 THR 112 112 THR 113 113 VAL 114 114 ASP 115 115 GLU 116 116 THR 117 117 LYS 118 118 TRP 119 119 ILE 120 120 ALA 121 121 SER 122 122 SER 123 123 SER 124 124 GLY 125 125 PRO 126 126 SER 127 127 SER 128 128 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-26 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 1UF1 "Solution Structure Of The Second Pdz Domain Of Human Kiaa1526 Protein" 100.00 128 100.00 100.00 1.44e-81 REF XP_005581023 "PREDICTED: whirlin isoform X3 [Macaca fascicularis]" 90.63 852 99.14 99.14 6.14e-68 REF XP_005581024 "PREDICTED: whirlin isoform X4 [Macaca fascicularis]" 90.63 771 99.14 99.14 3.00e-68 REF XP_007966494 "PREDICTED: whirlin isoform X6 [Chlorocebus sabaeus]" 90.63 852 100.00 100.00 4.17e-69 REF XP_009186476 "PREDICTED: whirlin isoform X3 [Papio anubis]" 90.63 704 100.00 100.00 2.94e-70 REF XP_011853880 "PREDICTED: whirlin isoform X1 [Mandrillus leucophaeus]" 90.63 702 100.00 100.00 3.04e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PDZ_domain 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 $PDZ_domain 'recombinant technology' . E. "coli - cell free" . P021030-45 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 $PDZ_domain 1.6 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' D2O 10 % [U-2H] H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 7.0 . pH pressure 1 . atm 'ionic strength' 120 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.780 internal direct . . . 1 water C 13 protons ppm 4.780 internal indirect . . . 0.251449530 water N 15 protons ppm 4.780 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'PDZ 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 3.960 0.030 1 2 7 7 GLY HA3 H 3.960 0.030 1 3 7 7 GLY C C 173.903 0.300 1 4 7 7 GLY CA C 45.060 0.300 1 5 8 8 ASP H H 8.164 0.030 1 6 8 8 ASP HA H 4.583 0.030 1 7 8 8 ASP HB2 H 2.675 0.030 1 8 8 8 ASP HB3 H 2.675 0.030 1 9 8 8 ASP C C 176.551 0.300 1 10 8 8 ASP CA C 53.979 0.300 1 11 8 8 ASP CB C 41.336 0.300 1 12 8 8 ASP N N 120.510 0.300 1 13 9 9 ARG H H 8.351 0.030 1 14 9 9 ARG HA H 4.329 0.030 1 15 9 9 ARG HB2 H 1.839 0.030 1 16 9 9 ARG HD2 H 3.189 0.030 1 17 9 9 ARG C C 176.577 0.300 1 18 9 9 ARG CA C 56.133 0.300 1 19 9 9 ARG CB C 30.570 0.300 1 20 9 9 ARG CD C 43.308 0.300 1 21 9 9 ARG CG C 27.110 0.300 1 22 9 9 ARG N N 121.776 0.300 1 23 10 10 ARG H H 8.360 0.030 1 24 10 10 ARG HA H 4.316 0.030 1 25 10 10 ARG HB2 H 3.174 0.030 1 26 10 10 ARG C C 176.736 0.300 1 27 10 10 ARG CA C 56.364 0.300 1 28 10 10 ARG CB C 30.570 0.300 1 29 10 10 ARG CD C 43.308 0.300 1 30 10 10 ARG CG C 27.110 0.300 1 31 10 10 ARG N N 121.287 0.300 1 32 11 11 SER H H 8.333 0.030 1 33 11 11 SER HA H 4.501 0.030 1 34 11 11 SER HB2 H 3.899 0.030 2 35 11 11 SER HB3 H 3.847 0.030 2 36 11 11 SER C C 175.094 0.300 1 37 11 11 SER CA C 58.288 0.300 1 38 11 11 SER CB C 63.757 0.300 1 39 11 11 SER N N 116.360 0.300 1 40 12 12 THR H H 8.177 0.030 1 41 12 12 THR HA H 4.325 0.030 1 42 12 12 THR HB H 4.257 0.030 1 43 12 12 THR HG2 H 1.143 0.030 1 44 12 12 THR C C 174.723 0.300 1 45 12 12 THR CA C 61.816 0.300 1 46 12 12 THR CB C 69.585 0.300 1 47 12 12 THR CG2 C 21.615 0.300 1 48 12 12 THR N N 115.545 0.300 1 49 13 13 LEU H H 8.048 0.030 1 50 13 13 LEU HA H 4.254 0.030 1 51 13 13 LEU HB2 H 1.533 0.030 1 52 13 13 LEU HB3 H 1.533 0.030 1 53 13 13 LEU HD1 H 0.895 0.030 2 54 13 13 LEU HD2 H 0.815 0.030 2 55 13 13 LEU C C 177.160 0.300 1 56 13 13 LEU CA C 56.052 0.300 1 57 13 13 LEU CB C 41.923 0.300 1 58 13 13 LEU CD1 C 25.014 0.300 2 59 13 13 LEU CD2 C 23.803 0.300 2 60 13 13 LEU CG C 26.912 0.300 1 61 13 13 LEU N N 123.512 0.300 1 62 14 14 HIS H H 8.257 0.030 1 63 14 14 HIS HA H 4.256 0.030 1 64 14 14 HIS HB2 H 3.205 0.030 1 65 14 14 HIS HB3 H 3.068 0.030 1 66 14 14 HIS HD2 H 7.270 0.030 1 67 14 14 HIS C C 175.253 0.300 1 68 14 14 HIS CA C 56.175 0.300 1 69 14 14 HIS CB C 30.768 0.300 1 70 14 14 HIS CD2 C 127.794 0.300 1 71 14 14 HIS N N 119.514 0.300 1 72 15 15 LEU H H 7.985 0.030 1 73 15 15 LEU HA H 4.294 0.030 1 74 15 15 LEU HB2 H 1.666 0.030 2 75 15 15 LEU HB3 H 1.468 0.030 2 76 15 15 LEU HD1 H 0.892 0.030 2 77 15 15 LEU HD2 H 0.832 0.030 2 78 15 15 LEU C C 177.213 0.300 1 79 15 15 LEU CA C 55.250 0.300 1 80 15 15 LEU CB C 42.225 0.300 1 81 15 15 LEU CD1 C 24.937 0.300 2 82 15 15 LEU CD2 C 23.455 0.300 2 83 15 15 LEU CG C 26.814 0.300 1 84 15 15 LEU N N 121.776 0.300 1 85 16 16 LEU H H 8.168 0.030 1 86 16 16 LEU HA H 4.361 0.030 1 87 16 16 LEU HB2 H 1.612 0.030 2 88 16 16 LEU HB3 H 1.472 0.030 2 89 16 16 LEU HD1 H 0.903 0.030 2 90 16 16 LEU HD2 H 0.833 0.030 2 91 16 16 LEU HG H 1.654 0.030 1 92 16 16 LEU C C 177.265 0.300 1 93 16 16 LEU CA C 55.123 0.300 1 94 16 16 LEU CB C 41.604 0.300 1 95 16 16 LEU CD1 C 25.036 0.300 2 96 16 16 LEU CD2 C 23.455 0.300 2 97 16 16 LEU CG C 27.086 0.300 1 98 16 16 LEU N N 122.326 0.300 1 99 17 17 GLN H H 8.338 0.030 1 100 17 17 GLN HA H 4.354 0.030 1 101 17 17 GLN HB2 H 2.138 0.030 2 102 17 17 GLN HB3 H 1.994 0.030 2 103 17 17 GLN HE21 H 7.532 0.030 2 104 17 17 GLN HE22 H 6.847 0.030 2 105 17 17 GLN HG2 H 2.362 0.030 1 106 17 17 GLN HG3 H 2.362 0.030 1 107 17 17 GLN C C 176.339 0.300 1 108 17 17 GLN CA C 55.519 0.300 1 109 17 17 GLN CB C 29.583 0.300 1 110 17 17 GLN CG C 33.826 0.300 1 111 17 17 GLN N N 120.852 0.300 1 112 17 17 GLN NE2 N 112.377 0.300 1 113 18 18 GLY H H 8.454 0.030 1 114 18 18 GLY HA2 H 3.995 0.030 1 115 18 18 GLY HA3 H 3.995 0.030 1 116 18 18 GLY C C 174.512 0.300 1 117 18 18 GLY CA C 45.060 0.300 1 118 18 18 GLY N N 110.146 0.300 1 119 19 19 GLY H H 8.369 0.030 1 120 19 19 GLY HA2 H 3.992 0.030 1 121 19 19 GLY HA3 H 3.992 0.030 1 122 19 19 GLY C C 173.797 0.300 1 123 19 19 GLY CA C 45.018 0.300 1 124 19 19 GLY N N 108.914 0.300 1 125 20 20 ASP H H 8.440 0.030 1 126 20 20 ASP HA H 4.619 0.030 1 127 20 20 ASP HB2 H 2.729 0.030 2 128 20 20 ASP HB3 H 2.677 0.030 2 129 20 20 ASP C C 175.518 0.300 1 130 20 20 ASP CA C 53.935 0.300 1 131 20 20 ASP CB C 41.336 0.300 1 132 20 20 ASP N N 119.699 0.300 1 133 21 21 GLU H H 8.128 0.030 1 134 21 21 GLU HA H 4.939 0.030 1 135 21 21 GLU HB2 H 1.799 0.030 1 136 21 21 GLU HB3 H 1.799 0.030 1 137 21 21 GLU HG2 H 2.169 0.030 2 138 21 21 GLU HG3 H 1.959 0.030 2 139 21 21 GLU C C 175.756 0.300 1 140 21 21 GLU CA C 55.438 0.300 1 141 21 21 GLU CB C 31.459 0.300 1 142 21 21 GLU CG C 36.592 0.300 1 143 21 21 GLU N N 119.699 0.300 1 144 22 22 LYS H H 8.953 0.030 1 145 22 22 LYS HA H 4.657 0.030 1 146 22 22 LYS HB2 H 1.709 0.030 2 147 22 22 LYS HB3 H 1.664 0.030 2 148 22 22 LYS HD2 H 1.624 0.030 1 149 22 22 LYS HD3 H 1.624 0.030 1 150 22 22 LYS HE2 H 2.680 0.030 1 151 22 22 LYS HE3 H 2.680 0.030 1 152 22 22 LYS HG2 H 1.293 0.030 2 153 22 22 LYS HG3 H 1.233 0.030 2 154 22 22 LYS C C 174.009 0.300 1 155 22 22 LYS CA C 54.800 0.300 1 156 22 22 LYS CB C 35.114 0.300 1 157 22 22 LYS CD C 29.184 0.300 1 158 22 22 LYS CE C 42.321 0.300 1 159 22 22 LYS CG C 24.542 0.300 1 160 22 22 LYS N N 122.414 0.300 1 161 23 23 LYS H H 8.503 0.030 1 162 23 23 LYS HA H 5.318 0.030 1 163 23 23 LYS HB2 H 1.664 0.030 2 164 23 23 LYS HB3 H 1.617 0.030 2 165 23 23 LYS HD2 H 1.585 0.030 2 166 23 23 LYS HD3 H 1.537 0.030 2 167 23 23 LYS HE2 H 2.848 0.030 1 168 23 23 LYS HE3 H 2.848 0.030 1 169 23 23 LYS HG2 H 1.337 0.030 1 170 23 23 LYS HG3 H 1.337 0.030 1 171 23 23 LYS C C 176.471 0.300 1 172 23 23 LYS CA C 54.400 0.300 1 173 23 23 LYS CB C 33.929 0.300 1 174 23 23 LYS CD C 29.085 0.300 1 175 23 23 LYS CE C 42.024 0.300 1 176 23 23 LYS CG C 24.838 0.300 1 177 23 23 LYS N N 123.440 0.300 1 178 24 24 VAL H H 9.203 0.030 1 179 24 24 VAL HA H 4.369 0.030 1 180 24 24 VAL HB H 1.899 0.030 1 181 24 24 VAL HG1 H 0.880 0.030 1 182 24 24 VAL HG2 H 0.815 0.030 1 183 24 24 VAL C C 173.267 0.300 1 184 24 24 VAL CA C 60.632 0.300 1 185 24 24 VAL CB C 35.311 0.300 1 186 24 24 VAL CG1 C 21.154 0.300 1 187 24 24 VAL CG2 C 20.593 0.300 1 188 24 24 VAL N N 124.039 0.300 1 189 25 25 ASN H H 8.757 0.030 1 190 25 25 ASN HA H 5.278 0.030 1 191 25 25 ASN HB2 H 2.735 0.030 2 192 25 25 ASN HB3 H 2.594 0.030 2 193 25 25 ASN HD21 H 7.483 0.030 2 194 25 25 ASN HD22 H 6.797 0.030 2 195 25 25 ASN C C 173.585 0.300 1 196 25 25 ASN CA C 52.307 0.300 1 197 25 25 ASN CB C 40.426 0.300 1 198 25 25 ASN N N 125.637 0.300 1 199 25 25 ASN ND2 N 112.264 0.300 1 200 26 26 LEU H H 9.274 0.030 1 201 26 26 LEU HA H 4.703 0.030 1 202 26 26 LEU HB2 H 1.508 0.030 1 203 26 26 LEU HB3 H 1.508 0.030 1 204 26 26 LEU HD1 H 0.745 0.030 1 205 26 26 LEU HD2 H 0.726 0.030 1 206 26 26 LEU HG H 1.475 0.030 1 207 26 26 LEU C C 174.326 0.300 1 208 26 26 LEU CA C 54.086 0.300 1 209 26 26 LEU CB C 44.400 0.300 1 210 26 26 LEU CD1 C 24.923 0.300 1 211 26 26 LEU CD2 C 25.674 0.300 1 212 26 26 LEU CG C 27.114 0.300 1 213 26 26 LEU N N 126.125 0.300 1 214 27 27 VAL H H 8.610 0.030 1 215 27 27 VAL HA H 4.443 0.030 1 216 27 27 VAL HB H 1.837 0.030 1 217 27 27 VAL HG1 H 0.701 0.030 2 218 27 27 VAL HG2 H 0.604 0.030 2 219 27 27 VAL C C 175.491 0.300 1 220 27 27 VAL CA C 61.424 0.300 1 221 27 27 VAL CB C 32.993 0.300 1 222 27 27 VAL CG1 C 21.035 0.300 2 223 27 27 VAL CG2 C 20.643 0.300 2 224 27 27 VAL N N 125.759 0.300 1 225 28 28 LEU H H 8.659 0.030 1 226 28 28 LEU HA H 4.395 0.030 1 227 28 28 LEU HB2 H 1.731 0.030 2 228 28 28 LEU HB3 H 1.529 0.030 2 229 28 28 LEU HD1 H 0.923 0.030 2 230 28 28 LEU HD2 H 0.747 0.030 2 231 28 28 LEU HG H 1.616 0.030 1 232 28 28 LEU C C 177.213 0.300 1 233 28 28 LEU CA C 54.055 0.300 1 234 28 28 LEU CB C 41.929 0.300 1 235 28 28 LEU CD1 C 26.257 0.300 2 236 28 28 LEU CD2 C 23.851 0.300 2 237 28 28 LEU CG C 27.339 0.300 1 238 28 28 LEU N N 126.649 0.300 1 239 29 29 GLY H H 8.476 0.030 1 240 29 29 GLY HA2 H 4.075 0.030 2 241 29 29 GLY HA3 H 3.822 0.030 2 242 29 29 GLY C C 173.611 0.300 1 243 29 29 GLY CA C 44.315 0.300 1 244 29 29 GLY N N 110.170 0.300 1 245 30 30 ASP H H 8.592 0.030 1 246 30 30 ASP HA H 4.383 0.030 1 247 30 30 ASP HB2 H 2.659 0.030 2 248 30 30 ASP HB3 H 2.589 0.030 2 249 30 30 ASP C C 177.636 0.300 1 250 30 30 ASP CA C 55.688 0.300 1 251 30 30 ASP CB C 40.448 0.300 1 252 30 30 ASP N N 120.814 0.300 1 253 31 31 GLY H H 8.819 0.030 1 254 31 31 GLY HA2 H 4.092 0.030 2 255 31 31 GLY HA3 H 3.764 0.030 2 256 31 31 GLY C C 174.379 0.300 1 257 31 31 GLY CA C 45.589 0.300 1 258 31 31 GLY N N 111.246 0.300 1 259 32 32 ARG H H 7.677 0.030 1 260 32 32 ARG HA H 4.571 0.030 1 261 32 32 ARG HB2 H 1.869 0.030 1 262 32 32 ARG HB3 H 1.869 0.030 1 263 32 32 ARG HD2 H 3.174 0.030 1 264 32 32 ARG HD3 H 3.174 0.030 1 265 32 32 ARG HG2 H 1.656 0.030 2 266 32 32 ARG HG3 H 1.494 0.030 2 267 32 32 ARG C C 176.127 0.300 1 268 32 32 ARG CA C 54.473 0.300 1 269 32 32 ARG CB C 30.881 0.300 1 270 32 32 ARG CD C 42.617 0.300 1 271 32 32 ARG CG C 26.818 0.300 1 272 32 32 ARG N N 119.485 0.300 1 273 33 33 SER H H 8.779 0.030 1 274 33 33 SER HA H 4.684 0.030 1 275 33 33 SER HB2 H 3.865 0.030 1 276 33 33 SER HB3 H 3.865 0.030 1 277 33 33 SER C C 174.167 0.300 1 278 33 33 SER CA C 56.702 0.300 1 279 33 33 SER CB C 64.945 0.300 1 280 33 33 SER N N 116.835 0.300 1 281 34 34 LEU H H 8.909 0.030 1 282 34 34 LEU HA H 4.060 0.030 1 283 34 34 LEU HB2 H 1.960 0.030 2 284 34 34 LEU HB3 H 1.652 0.030 2 285 34 34 LEU HD1 H 0.915 0.030 2 286 34 34 LEU HD2 H 0.987 0.030 2 287 34 34 LEU HG H 1.494 0.030 1 288 34 34 LEU C C 177.318 0.300 1 289 34 34 LEU CA C 58.750 0.300 1 290 34 34 LEU CB C 41.634 0.300 1 291 34 34 LEU CD1 C 23.893 0.300 2 292 34 34 LEU CD2 C 26.712 0.300 2 293 34 34 LEU CG C 27.856 0.300 1 294 34 34 LEU N N 125.149 0.300 1 295 35 35 GLY H H 8.244 0.030 1 296 35 35 GLY HA2 H 4.178 0.030 2 297 35 35 GLY HA3 H 3.873 0.030 2 298 35 35 GLY C C 174.088 0.300 1 299 35 35 GLY CA C 45.822 0.300 1 300 35 35 GLY N N 100.879 0.300 1 301 36 36 LEU H H 7.026 0.030 1 302 36 36 LEU HA H 5.164 0.030 1 303 36 36 LEU HB2 H 1.237 0.030 2 304 36 36 LEU HB3 H 1.566 0.030 2 305 36 36 LEU HD1 H 0.695 0.030 2 306 36 36 LEU HD2 H 0.835 0.030 2 307 36 36 LEU HG H 1.485 0.030 1 308 36 36 LEU C C 176.603 0.300 1 309 36 36 LEU CA C 53.440 0.300 1 310 36 36 LEU CB C 45.995 0.300 1 311 36 36 LEU CD1 C 25.314 0.300 2 312 36 36 LEU CD2 C 25.727 0.300 2 313 36 36 LEU CG C 26.999 0.300 1 314 36 36 LEU N N 115.432 0.300 1 315 37 37 THR H H 8.354 0.030 1 316 37 37 THR HA H 4.573 0.030 1 317 37 37 THR HB H 3.853 0.030 1 318 37 37 THR HG2 H 1.175 0.030 1 319 37 37 THR C C 174.565 0.300 1 320 37 37 THR CA C 61.524 0.300 1 321 37 37 THR CB C 70.673 0.300 1 322 37 37 THR CG2 C 21.681 0.300 1 323 37 37 THR N N 117.776 0.300 1 324 38 38 ILE H H 8.792 0.030 1 325 38 38 ILE HA H 5.632 0.030 1 326 38 38 ILE HB H 1.894 0.030 1 327 38 38 ILE HD1 H 0.487 0.030 1 328 38 38 ILE HG12 H 0.927 0.030 2 329 38 38 ILE HG13 H 1.310 0.030 2 330 38 38 ILE HG2 H 0.636 0.030 1 331 38 38 ILE C C 175.068 0.300 1 332 38 38 ILE CA C 58.900 0.300 1 333 38 38 ILE CB C 43.382 0.300 1 334 38 38 ILE CD1 C 14.915 0.300 1 335 38 38 ILE CG1 C 25.038 0.300 1 336 38 38 ILE CG2 C 18.745 0.300 1 337 38 38 ILE N N 117.838 0.300 1 338 39 39 ARG H H 9.292 0.030 1 339 39 39 ARG HA H 4.973 0.030 1 340 39 39 ARG HB2 H 1.690 0.030 2 341 39 39 ARG HB3 H 1.822 0.030 2 342 39 39 ARG HD2 H 3.105 0.030 2 343 39 39 ARG HD3 H 2.984 0.030 1 344 39 39 ARG HG2 H 1.481 0.030 1 345 39 39 ARG HG3 H 1.481 0.030 1 346 39 39 ARG C C 174.061 0.300 1 347 39 39 ARG CA C 53.724 0.300 1 348 39 39 ARG CB C 34.183 0.300 1 349 39 39 ARG CD C 42.815 0.300 1 350 39 39 ARG CG C 27.498 0.300 1 351 39 39 ARG N N 118.435 0.300 1 352 40 40 GLY H H 8.681 0.030 1 353 40 40 GLY HA2 H 5.889 0.030 2 354 40 40 GLY HA3 H 3.622 0.030 2 355 40 40 GLY C C 174.273 0.300 1 356 40 40 GLY CA C 43.732 0.300 1 357 40 40 GLY N N 107.254 0.300 1 358 41 41 GLY H H 7.196 0.030 1 359 41 41 GLY HA2 H 5.001 0.030 2 360 41 41 GLY HA3 H 4.017 0.030 2 361 41 41 GLY C C 176.709 0.300 1 362 41 41 GLY CA C 43.797 0.300 1 363 41 41 GLY N N 106.763 0.300 1 364 42 42 ALA H H 8.966 0.030 1 365 42 42 ALA HA H 4.142 0.030 1 366 42 42 ALA HB H 1.150 0.030 1 367 42 42 ALA C C 180.840 0.300 1 368 42 42 ALA CA C 55.029 0.300 1 369 42 42 ALA CB C 18.814 0.300 1 370 42 42 ALA N N 125.209 0.300 1 371 43 43 GLU H H 11.144 0.030 1 372 43 43 GLU HA H 4.128 0.030 1 373 43 43 GLU HB2 H 1.735 0.030 2 374 43 43 GLU HB3 H 1.643 0.030 2 375 43 43 GLU HG2 H 1.776 0.030 2 376 43 43 GLU HG3 H 1.111 0.030 2 377 43 43 GLU C C 176.774 0.300 1 378 43 43 GLU CA C 59.111 0.300 1 379 43 43 GLU CB C 26.918 0.300 1 380 43 43 GLU CG C 35.506 0.300 1 381 43 43 GLU N N 121.487 0.300 1 382 44 44 TYR H H 8.030 0.030 1 383 44 44 TYR HA H 4.785 0.030 1 384 44 44 TYR HB2 H 3.513 0.030 2 385 44 44 TYR HB3 H 2.744 0.030 2 386 44 44 TYR HD1 H 7.029 0.030 1 387 44 44 TYR HD2 H 7.029 0.030 1 388 44 44 TYR HE1 H 6.713 0.030 1 389 44 44 TYR HE2 H 6.713 0.030 1 390 44 44 TYR C C 176.206 0.300 1 391 44 44 TYR CA C 56.091 0.300 1 392 44 44 TYR CB C 39.756 0.300 1 393 44 44 TYR CD1 C 132.971 0.300 1 394 44 44 TYR CD2 C 132.971 0.300 1 395 44 44 TYR CE1 C 118.763 0.300 1 396 44 44 TYR CE2 C 118.763 0.300 1 397 44 44 TYR N N 119.205 0.300 1 398 45 45 GLY H H 8.025 0.030 1 399 45 45 GLY HA2 H 4.054 0.030 2 400 45 45 GLY HA3 H 3.935 0.030 2 401 45 45 GLY C C 174.194 0.300 1 402 45 45 GLY CA C 46.357 0.300 1 403 45 45 GLY N N 108.520 0.300 1 404 46 46 LEU H H 7.557 0.030 1 405 46 46 LEU HA H 5.035 0.030 1 406 46 46 LEU HB2 H 1.956 0.030 2 407 46 46 LEU HB3 H 2.117 0.030 2 408 46 46 LEU HD1 H 1.036 0.030 2 409 46 46 LEU HD2 H 0.920 0.030 2 410 46 46 LEU HG H 1.791 0.030 1 411 46 46 LEU C C 178.616 0.300 1 412 46 46 LEU CA C 53.701 0.300 1 413 46 46 LEU CB C 49.139 0.300 1 414 46 46 LEU CD1 C 23.455 0.300 2 415 46 46 LEU CD2 C 26.214 0.300 2 416 46 46 LEU CG C 26.320 0.300 1 417 46 46 LEU N N 118.642 0.300 1 418 47 47 GLY H H 8.449 0.030 1 419 47 47 GLY HA2 H 4.211 0.030 2 420 47 47 GLY HA3 H 3.465 0.030 2 421 47 47 GLY C C 169.798 0.300 1 422 47 47 GLY CA C 44.235 0.300 1 423 47 47 GLY N N 106.628 0.300 1 424 48 48 ILE H H 8.578 0.030 1 425 48 48 ILE HA H 4.926 0.030 1 426 48 48 ILE HB H 2.326 0.030 1 427 48 48 ILE HD1 H 0.435 0.030 1 428 48 48 ILE HG12 H 1.023 0.030 2 429 48 48 ILE HG13 H 1.849 0.030 2 430 48 48 ILE HG2 H 0.880 0.030 1 431 48 48 ILE C C 174.776 0.300 1 432 48 48 ILE CA C 56.813 0.300 1 433 48 48 ILE CB C 36.594 0.300 1 434 48 48 ILE CD1 C 7.751 0.300 1 435 48 48 ILE CG1 C 25.325 0.300 1 436 48 48 ILE CG2 C 18.916 0.300 1 437 48 48 ILE N N 117.727 0.300 1 438 49 49 TYR H H 8.837 0.030 1 439 49 49 TYR HA H 5.399 0.030 1 440 49 49 TYR HB2 H 2.732 0.030 2 441 49 49 TYR HB3 H 2.485 0.030 2 442 49 49 TYR HD1 H 6.914 0.030 1 443 49 49 TYR HD2 H 6.914 0.030 1 444 49 49 TYR HE1 H 6.680 0.030 1 445 49 49 TYR HE2 H 6.680 0.030 1 446 49 49 TYR C C 175.836 0.300 1 447 49 49 TYR CA C 55.565 0.300 1 448 49 49 TYR CB C 41.929 0.300 1 449 49 49 TYR CD1 C 133.392 0.300 1 450 49 49 TYR CD2 C 133.392 0.300 1 451 49 49 TYR CE1 C 117.113 0.300 1 452 49 49 TYR CE2 C 117.113 0.300 1 453 49 49 TYR N N 123.928 0.300 1 454 50 50 ILE H H 9.056 0.030 1 455 50 50 ILE HA H 4.336 0.030 1 456 50 50 ILE HB H 2.154 0.030 1 457 50 50 ILE HD1 H 0.897 0.030 1 458 50 50 ILE HG12 H 1.850 0.030 2 459 50 50 ILE HG13 H 0.894 0.030 2 460 50 50 ILE HG2 H 0.832 0.030 1 461 50 50 ILE C C 177.980 0.300 1 462 50 50 ILE CA C 63.141 0.300 1 463 50 50 ILE CB C 38.176 0.300 1 464 50 50 ILE CD1 C 14.467 0.300 1 465 50 50 ILE CG1 C 28.768 0.300 1 466 50 50 ILE CG2 C 19.328 0.300 1 467 50 50 ILE N N 121.560 0.300 1 468 51 51 THR H H 9.502 0.030 1 469 51 51 THR HA H 4.587 0.030 1 470 51 51 THR HB H 4.260 0.030 1 471 51 51 THR HG2 H 1.097 0.030 1 472 51 51 THR C C 174.114 0.300 1 473 51 51 THR CA C 61.604 0.300 1 474 51 51 THR CB C 69.947 0.300 1 475 51 51 THR CG2 C 23.050 0.300 1 476 51 51 THR N N 121.230 0.300 1 477 52 52 GLY H H 7.526 0.030 1 478 52 52 GLY HA2 H 4.189 0.030 2 479 52 52 GLY HA3 H 3.705 0.030 2 480 52 52 GLY C C 170.619 0.300 1 481 52 52 GLY CA C 45.863 0.300 1 482 52 52 GLY N N 112.396 0.300 1 483 53 53 VAL H H 8.190 0.030 1 484 53 53 VAL HA H 4.509 0.030 1 485 53 53 VAL HB H 1.832 0.030 1 486 53 53 VAL HG1 H 0.654 0.030 2 487 53 53 VAL HG2 H 0.617 0.030 2 488 53 53 VAL C C 175.703 0.300 1 489 53 53 VAL CA C 60.770 0.300 1 490 53 53 VAL CB C 34.325 0.300 1 491 53 53 VAL CG1 C 20.991 0.300 2 492 53 53 VAL CG2 C 20.869 0.300 2 493 53 53 VAL N N 122.902 0.300 1 494 54 54 ASP H H 9.114 0.030 1 495 54 54 ASP HA H 4.750 0.030 1 496 54 54 ASP HB2 H 2.646 0.030 2 497 54 54 ASP HB3 H 2.410 0.030 2 498 54 54 ASP C C 174.988 0.300 1 499 54 54 ASP CA C 52.921 0.300 1 500 54 54 ASP CB C 39.855 0.300 1 501 54 54 ASP N N 128.921 0.300 1 502 55 55 PRO HA H 4.585 0.030 1 503 55 55 PRO HB2 H 2.375 0.030 2 504 55 55 PRO HB3 H 1.926 0.030 2 505 55 55 PRO HD2 H 4.089 0.030 2 506 55 55 PRO HD3 H 3.711 0.030 2 507 55 55 PRO HG2 H 2.169 0.030 2 508 55 55 PRO HG3 H 2.070 0.030 2 509 55 55 PRO C C 178.351 0.300 1 510 55 55 PRO CA C 63.322 0.300 1 511 55 55 PRO CB C 31.757 0.300 1 512 55 55 PRO CD C 51.309 0.300 1 513 55 55 PRO CG C 27.803 0.300 1 514 56 56 GLY H H 9.417 0.030 1 515 56 56 GLY HA2 H 4.124 0.030 2 516 56 56 GLY HA3 H 3.769 0.030 2 517 56 56 GLY C C 173.903 0.300 1 518 56 56 GLY CA C 45.414 0.300 1 519 56 56 GLY N N 113.723 0.300 1 520 57 57 SER H H 7.539 0.030 1 521 57 57 SER HA H 4.506 0.030 1 522 57 57 SER HB2 H 4.374 0.030 2 523 57 57 SER HB3 H 3.890 0.030 2 524 57 57 SER C C 176.100 0.300 1 525 57 57 SER CA C 57.758 0.300 1 526 57 57 SER CB C 66.227 0.300 1 527 57 57 SER N N 113.844 0.300 1 528 58 58 GLU H H 9.455 0.030 1 529 58 58 GLU HA H 4.230 0.030 1 530 58 58 GLU HB2 H 2.017 0.030 1 531 58 58 GLU HB3 H 2.017 0.030 1 532 58 58 GLU HG2 H 2.492 0.030 2 533 58 58 GLU HG3 H 2.371 0.030 2 534 58 58 GLU C C 179.649 0.300 1 535 58 58 GLU CA C 58.984 0.300 1 536 58 58 GLU CB C 29.246 0.300 1 537 58 58 GLU CG C 36.928 0.300 1 538 58 58 GLU N N 121.962 0.300 1 539 59 59 ALA H H 8.587 0.030 1 540 59 59 ALA HA H 3.923 0.030 1 541 59 59 ALA HB H 1.444 0.030 1 542 59 59 ALA C C 179.040 0.300 1 543 59 59 ALA CA C 55.330 0.300 1 544 59 59 ALA CB C 19.089 0.300 1 545 59 59 ALA N N 119.937 0.300 1 546 60 60 GLU H H 7.744 0.030 1 547 60 60 GLU HA H 3.881 0.030 1 548 60 60 GLU HB2 H 2.248 0.030 2 549 60 60 GLU HB3 H 1.990 0.030 2 550 60 60 GLU HG2 H 2.169 0.030 1 551 60 60 GLU HG3 H 2.169 0.030 1 552 60 60 GLU C C 180.205 0.300 1 553 60 60 GLU CA C 59.446 0.300 1 554 60 60 GLU CB C 29.780 0.300 1 555 60 60 GLU CG C 36.987 0.300 1 556 60 60 GLU N N 120.450 0.300 1 557 61 61 GLY H H 8.346 0.030 1 558 61 61 GLY HA2 H 4.060 0.030 2 559 61 61 GLY HA3 H 3.961 0.030 2 560 61 61 GLY C C 175.147 0.300 1 561 61 61 GLY CA C 46.730 0.300 1 562 61 61 GLY N N 108.840 0.300 1 563 62 62 SER H H 7.738 0.030 1 564 62 62 SER HA H 4.509 0.030 1 565 62 62 SER HB2 H 3.976 0.030 2 566 62 62 SER HB3 H 3.839 0.030 2 567 62 62 SER C C 174.485 0.300 1 568 62 62 SER CA C 59.115 0.300 1 569 62 62 SER CB C 64.449 0.300 1 570 62 62 SER N N 114.212 0.300 1 571 63 63 GLY H H 7.847 0.030 1 572 63 63 GLY HA2 H 4.241 0.030 2 573 63 63 GLY HA3 H 3.761 0.030 2 574 63 63 GLY C C 175.015 0.300 1 575 63 63 GLY CA C 45.460 0.300 1 576 63 63 GLY N N 107.643 0.300 1 577 64 64 LEU H H 7.378 0.030 1 578 64 64 LEU HA H 4.248 0.030 1 579 64 64 LEU HB2 H 1.146 0.030 2 580 64 64 LEU HB3 H 1.572 0.030 2 581 64 64 LEU HD1 H 0.805 0.030 2 582 64 64 LEU HD2 H 0.786 0.030 2 583 64 64 LEU HG H 1.783 0.030 1 584 64 64 LEU C C 175.280 0.300 1 585 64 64 LEU CA C 55.142 0.300 1 586 64 64 LEU CB C 41.830 0.300 1 587 64 64 LEU CD1 C 26.280 0.300 2 588 64 64 LEU CD2 C 24.124 0.300 2 589 64 64 LEU CG C 26.719 0.300 1 590 64 64 LEU N N 120.217 0.300 1 591 65 65 LYS H H 8.663 0.030 1 592 65 65 LYS HA H 4.637 0.030 1 593 65 65 LYS HB2 H 1.792 0.030 2 594 65 65 LYS HB3 H 1.614 0.030 2 595 65 65 LYS HD2 H 1.700 0.030 2 596 65 65 LYS HD3 H 1.643 0.030 2 597 65 65 LYS HE2 H 2.985 0.030 1 598 65 65 LYS HE3 H 2.985 0.030 1 599 65 65 LYS HG2 H 1.433 0.030 2 600 65 65 LYS HG3 H 1.260 0.030 2 601 65 65 LYS C C 175.465 0.300 1 602 65 65 LYS CA C 53.893 0.300 1 603 65 65 LYS CB C 36.108 0.300 1 604 65 65 LYS CD C 29.416 0.300 1 605 65 65 LYS CE C 42.179 0.300 1 606 65 65 LYS CG C 23.635 0.300 1 607 65 65 LYS N N 120.156 0.300 1 608 66 66 VAL H H 8.226 0.030 1 609 66 66 VAL HA H 3.185 0.030 1 610 66 66 VAL HB H 1.853 0.030 1 611 66 66 VAL HG1 H 0.914 0.030 2 612 66 66 VAL HG2 H 0.880 0.030 2 613 66 66 VAL C C 176.789 0.300 1 614 66 66 VAL CA C 65.462 0.300 1 615 66 66 VAL CB C 31.262 0.300 1 616 66 66 VAL CG1 C 22.723 0.300 2 617 66 66 VAL CG2 C 21.383 0.300 2 618 66 66 VAL N N 119.499 0.300 1 619 67 67 GLY H H 8.936 0.030 1 620 67 67 GLY HA2 H 4.527 0.030 2 621 67 67 GLY HA3 H 3.639 0.030 2 622 67 67 GLY C C 174.379 0.300 1 623 67 67 GLY CA C 44.341 0.300 1 624 67 67 GLY N N 116.444 0.300 1 625 68 68 ASP H H 7.896 0.030 1 626 68 68 ASP HA H 4.723 0.030 1 627 68 68 ASP HB2 H 2.887 0.030 2 628 68 68 ASP HB3 H 2.298 0.030 2 629 68 68 ASP C C 175.385 0.300 1 630 68 68 ASP CA C 55.541 0.300 1 631 68 68 ASP CB C 41.435 0.300 1 632 68 68 ASP N N 121.267 0.300 1 633 69 69 GLN H H 8.632 0.030 1 634 69 69 GLN HA H 4.786 0.030 1 635 69 69 GLN HB2 H 1.900 0.030 1 636 69 69 GLN HB3 H 1.900 0.030 1 637 69 69 GLN HE21 H 7.391 0.030 2 638 69 69 GLN HE22 H 6.768 0.030 2 639 69 69 GLN HG2 H 1.612 0.030 1 640 69 69 GLN HG3 H 1.612 0.030 1 641 69 69 GLN C C 176.471 0.300 1 642 69 69 GLN CA C 53.259 0.300 1 643 69 69 GLN CB C 30.472 0.300 1 644 69 69 GLN CG C 32.740 0.300 1 645 69 69 GLN N N 121.108 0.300 1 646 69 69 GLN NE2 N 107.012 0.300 1 647 70 70 ILE H H 8.712 0.030 1 648 70 70 ILE HA H 4.030 0.030 1 649 70 70 ILE HB H 1.639 0.030 1 650 70 70 ILE HD1 H 0.682 0.030 1 651 70 70 ILE HG12 H 0.672 0.030 2 652 70 70 ILE HG13 H 1.609 0.030 2 653 70 70 ILE HG2 H 0.349 0.030 1 654 70 70 ILE C C 174.750 0.300 1 655 70 70 ILE CA C 61.927 0.300 1 656 70 70 ILE CB C 38.277 0.300 1 657 70 70 ILE CD1 C 13.282 0.300 1 658 70 70 ILE CG1 C 27.016 0.300 1 659 70 70 ILE CG2 C 19.474 0.300 1 660 70 70 ILE N N 125.921 0.300 1 661 71 71 LEU H H 9.203 0.030 1 662 71 71 LEU HA H 4.266 0.030 1 663 71 71 LEU HB2 H 1.514 0.030 2 664 71 71 LEU HB3 H 1.410 0.030 2 665 71 71 LEU HD1 H 0.769 0.030 1 666 71 71 LEU HD2 H 0.643 0.030 2 667 71 71 LEU HG H 1.474 0.030 1 668 71 71 LEU C C 178.431 0.300 1 669 71 71 LEU CA C 56.237 0.300 1 670 71 71 LEU CB C 42.028 0.300 1 671 71 71 LEU CD1 C 25.628 0.300 1 672 71 71 LEU CD2 C 21.974 0.300 2 673 71 71 LEU CG C 27.006 0.300 1 674 71 71 LEU N N 127.760 0.300 1 675 72 72 GLU H H 7.561 0.030 1 676 72 72 GLU HA H 4.817 0.030 1 677 72 72 GLU HB2 H 1.924 0.030 2 678 72 72 GLU HB3 H 1.739 0.030 2 679 72 72 GLU HG2 H 1.963 0.030 2 680 72 72 GLU HG3 H 1.853 0.030 2 681 72 72 GLU C C 173.558 0.300 1 682 72 72 GLU CA C 55.245 0.300 1 683 72 72 GLU CB C 33.731 0.300 1 684 72 72 GLU CG C 36.493 0.300 1 685 72 72 GLU N N 120.082 0.300 1 686 73 73 VAL H H 8.048 0.030 1 687 73 73 VAL HA H 4.551 0.030 1 688 73 73 VAL HB H 1.515 0.030 1 689 73 73 VAL HG1 H 0.587 0.030 2 690 73 73 VAL HG2 H -0.057 0.030 2 691 73 73 VAL C C 175.809 0.300 1 692 73 73 VAL CA C 60.824 0.300 1 693 73 73 VAL CB C 34.818 0.300 1 694 73 73 VAL CG1 C 21.441 0.300 2 695 73 73 VAL CG2 C 22.565 0.300 2 696 73 73 VAL N N 121.624 0.300 1 697 74 74 ASN H H 9.301 0.030 1 698 74 74 ASN HA H 4.400 0.030 1 699 74 74 ASN HB2 H 2.847 0.030 2 700 74 74 ASN HB3 H 3.175 0.030 2 701 74 74 ASN HD21 H 7.814 0.030 2 702 74 74 ASN HD22 H 7.074 0.030 2 703 74 74 ASN C C 175.200 0.300 1 704 74 74 ASN CA C 53.993 0.300 1 705 74 74 ASN CB C 36.200 0.300 1 706 74 74 ASN N N 126.771 0.300 1 707 74 74 ASN ND2 N 109.114 0.300 1 708 75 75 GLY H H 8.489 0.030 1 709 75 75 GLY HA2 H 4.130 0.030 2 710 75 75 GLY HA3 H 3.599 0.030 2 711 75 75 GLY C C 173.294 0.300 1 712 75 75 GLY CA C 45.483 0.300 1 713 75 75 GLY N N 103.441 0.300 1 714 76 76 ARG H H 8.119 0.030 1 715 76 76 ARG HA H 4.598 0.030 1 716 76 76 ARG HB2 H 1.896 0.030 2 717 76 76 ARG HB3 H 2.160 0.030 2 718 76 76 ARG HD2 H 3.332 0.030 2 719 76 76 ARG HD3 H 3.285 0.030 2 720 76 76 ARG HG2 H 1.729 0.030 2 721 76 76 ARG HG3 H 1.485 0.030 2 722 76 76 ARG C C 175.306 0.300 1 723 76 76 ARG CA C 53.090 0.300 1 724 76 76 ARG CB C 30.832 0.300 1 725 76 76 ARG CD C 42.815 0.300 1 726 76 76 ARG CG C 27.011 0.300 1 727 76 76 ARG N N 122.438 0.300 1 728 77 77 SER H H 9.008 0.030 1 729 77 77 SER HA H 4.434 0.030 1 730 77 77 SER HB2 H 4.172 0.030 2 731 77 77 SER HB3 H 3.891 0.030 2 732 77 77 SER C C 176.577 0.300 1 733 77 77 SER CA C 58.720 0.300 1 734 77 77 SER CB C 63.561 0.300 1 735 77 77 SER N N 120.242 0.300 1 736 78 78 PHE H H 8.984 0.030 1 737 78 78 PHE HA H 4.864 0.030 1 738 78 78 PHE HB2 H 3.453 0.030 2 739 78 78 PHE HB3 H 2.699 0.030 2 740 78 78 PHE HD1 H 7.049 0.030 1 741 78 78 PHE HD2 H 7.049 0.030 1 742 78 78 PHE HE1 H 7.016 0.030 1 743 78 78 PHE HE2 H 7.016 0.030 1 744 78 78 PHE HZ H 7.144 0.030 1 745 78 78 PHE C C 176.842 0.300 1 746 78 78 PHE CA C 54.868 0.300 1 747 78 78 PHE CB C 37.879 0.300 1 748 78 78 PHE CD1 C 130.194 0.300 1 749 78 78 PHE CD2 C 130.194 0.300 1 750 78 78 PHE CE1 C 130.862 0.300 1 751 78 78 PHE CE2 C 130.862 0.300 1 752 78 78 PHE CZ C 129.280 0.300 1 753 78 78 PHE N N 129.629 0.300 1 754 79 79 LEU H H 8.338 0.030 1 755 79 79 LEU HA H 4.153 0.030 1 756 79 79 LEU HB2 H 1.501 0.030 2 757 79 79 LEU HB3 H 1.690 0.030 2 758 79 79 LEU HD1 H 0.892 0.030 2 759 79 79 LEU HD2 H 0.890 0.030 2 760 79 79 LEU HG H 1.781 0.030 1 761 79 79 LEU C C 177.001 0.300 1 762 79 79 LEU CA C 57.485 0.300 1 763 79 79 LEU CB C 41.194 0.300 1 764 79 79 LEU CD1 C 22.890 0.300 2 765 79 79 LEU CD2 C 24.789 0.300 2 766 79 79 LEU CG C 26.279 0.300 1 767 79 79 LEU N N 123.185 0.300 1 768 80 80 ASN H H 8.271 0.030 1 769 80 80 ASN HA H 4.739 0.030 1 770 80 80 ASN HB2 H 2.728 0.030 2 771 80 80 ASN HB3 H 2.484 0.030 2 772 80 80 ASN HD21 H 6.744 0.030 2 773 80 80 ASN HD22 H 7.496 0.030 2 774 80 80 ASN C C 172.737 0.300 1 775 80 80 ASN CA C 52.201 0.300 1 776 80 80 ASN CB C 38.770 0.300 1 777 80 80 ASN N N 118.494 0.300 1 778 80 80 ASN ND2 N 111.731 0.300 1 779 81 81 ILE H H 8.575 0.030 1 780 81 81 ILE HA H 4.536 0.030 1 781 81 81 ILE HB H 1.459 0.030 1 782 81 81 ILE HD1 H 0.241 0.030 1 783 81 81 ILE HG12 H 1.512 0.030 2 784 81 81 ILE HG13 H 1.189 0.030 2 785 81 81 ILE HG2 H 0.352 0.030 1 786 81 81 ILE C C 173.770 0.300 1 787 81 81 ILE CA C 58.720 0.300 1 788 81 81 ILE CB C 42.127 0.300 1 789 81 81 ILE CD1 C 14.666 0.300 1 790 81 81 ILE CG1 C 28.986 0.300 1 791 81 81 ILE CG2 C 15.654 0.300 1 792 81 81 ILE N N 123.415 0.300 1 793 82 82 LEU H H 8.526 0.030 1 794 82 82 LEU HA H 4.475 0.030 1 795 82 82 LEU HB2 H 1.605 0.030 2 796 82 82 LEU HB3 H 1.890 0.030 2 797 82 82 LEU HD1 H 0.948 0.030 2 798 82 82 LEU HD2 H 0.880 0.030 2 799 82 82 LEU HG H 1.738 0.030 1 800 82 82 LEU C C 178.642 0.300 1 801 82 82 LEU CA C 55.663 0.300 1 802 82 82 LEU CB C 41.830 0.300 1 803 82 82 LEU CD1 C 25.530 0.300 2 804 82 82 LEU CD2 C 22.962 0.300 2 805 82 82 LEU CG C 27.406 0.300 1 806 82 82 LEU N N 129.791 0.300 1 807 83 83 HIS H H 10.697 0.030 1 808 83 83 HIS HA H 3.760 0.030 1 809 83 83 HIS HB2 H 3.906 0.030 2 810 83 83 HIS HB3 H 3.424 0.030 2 811 83 83 HIS HD2 H 7.099 0.030 1 812 83 83 HIS HE1 H 7.949 0.030 1 813 83 83 HIS C C 176.895 0.300 1 814 83 83 HIS CA C 62.183 0.300 1 815 83 83 HIS CB C 28.990 0.300 1 816 83 83 HIS CD2 C 124.310 0.300 1 817 83 83 HIS CE1 C 136.606 0.300 1 818 83 83 HIS N N 125.749 0.300 1 819 84 84 ASP H H 9.881 0.030 1 820 84 84 ASP HA H 4.326 0.030 1 821 84 84 ASP HB2 H 2.667 0.030 1 822 84 84 ASP HB3 H 2.667 0.030 1 823 84 84 ASP C C 179.146 0.300 1 824 84 84 ASP CA C 57.194 0.300 1 825 84 84 ASP CB C 40.389 0.300 1 826 84 84 ASP N N 114.701 0.300 1 827 85 85 GLU H H 7.037 0.030 1 828 85 85 GLU HA H 4.201 0.030 1 829 85 85 GLU HB2 H 2.067 0.030 2 830 85 85 GLU HB3 H 1.958 0.030 2 831 85 85 GLU HG2 H 2.253 0.030 2 832 85 85 GLU HG3 H 2.310 0.030 2 833 85 85 GLU C C 177.663 0.300 1 834 85 85 GLU CA C 58.173 0.300 1 835 85 85 GLU CB C 29.201 0.300 1 836 85 85 GLU CG C 35.802 0.300 1 837 85 85 GLU N N 120.413 0.300 1 838 86 86 ALA H H 7.698 0.030 1 839 86 86 ALA HA H 3.570 0.030 1 840 86 86 ALA HB H 0.884 0.030 1 841 86 86 ALA C C 178.934 0.300 1 842 86 86 ALA CA C 55.054 0.300 1 843 86 86 ALA CB C 18.125 0.300 1 844 86 86 ALA N N 122.792 0.300 1 845 87 87 VAL H H 7.789 0.030 1 846 87 87 VAL HA H 3.282 0.030 1 847 87 87 VAL HB H 2.000 0.030 1 848 87 87 VAL HG1 H 0.925 0.030 2 849 87 87 VAL HG2 H 0.827 0.030 2 850 87 87 VAL C C 178.166 0.300 1 851 87 87 VAL CA C 67.056 0.300 1 852 87 87 VAL CB C 32.089 0.300 1 853 87 87 VAL CG1 C 21.284 0.300 2 854 87 87 VAL CG2 C 23.162 0.300 2 855 87 87 VAL N N 115.787 0.300 1 856 88 88 ARG H H 7.726 0.030 1 857 88 88 ARG HA H 3.888 0.030 1 858 88 88 ARG HB2 H 1.926 0.030 1 859 88 88 ARG HB3 H 1.926 0.030 1 860 88 88 ARG HD2 H 3.264 0.030 2 861 88 88 ARG HD3 H 3.154 0.030 2 862 88 88 ARG HG2 H 1.733 0.030 2 863 88 88 ARG HG3 H 1.490 0.030 2 864 88 88 ARG C C 180.284 0.300 1 865 88 88 ARG CA C 59.849 0.300 1 866 88 88 ARG CB C 30.472 0.300 1 867 88 88 ARG CD C 43.308 0.300 1 868 88 88 ARG CG C 27.839 0.300 1 869 88 88 ARG N N 118.093 0.300 1 870 89 89 LEU H H 8.386 0.030 1 871 89 89 LEU HA H 4.072 0.030 1 872 89 89 LEU HB2 H 2.068 0.030 2 873 89 89 LEU HB3 H 1.612 0.030 2 874 89 89 LEU HD1 H 0.955 0.030 2 875 89 89 LEU HD2 H 0.984 0.030 2 876 89 89 LEU HG H 1.830 0.030 1 877 89 89 LEU C C 180.920 0.300 1 878 89 89 LEU CA C 57.908 0.300 1 879 89 89 LEU CB C 42.030 0.300 1 880 89 89 LEU CD1 C 23.258 0.300 2 881 89 89 LEU CD2 C 26.241 0.300 2 882 89 89 LEU CG C 27.805 0.300 1 883 89 89 LEU N N 121.096 0.300 1 884 90 90 LEU H H 8.054 0.030 1 885 90 90 LEU HA H 4.063 0.030 1 886 90 90 LEU HB2 H 2.055 0.030 2 887 90 90 LEU HB3 H 1.422 0.030 2 888 90 90 LEU HD1 H 0.793 0.030 2 889 90 90 LEU HD2 H 0.776 0.030 2 890 90 90 LEU HG H 2.053 0.030 1 891 90 90 LEU C C 176.974 0.300 1 892 90 90 LEU CA C 57.578 0.300 1 893 90 90 LEU CB C 41.629 0.300 1 894 90 90 LEU CD1 C 26.175 0.300 2 895 90 90 LEU CD2 C 23.752 0.300 2 896 90 90 LEU CG C 27.252 0.300 1 897 90 90 LEU N N 119.228 0.300 1 898 91 91 LYS H H 7.542 0.030 1 899 91 91 LYS HA H 4.429 0.030 1 900 91 91 LYS HB2 H 1.994 0.030 2 901 91 91 LYS HB3 H 1.838 0.030 2 902 91 91 LYS HD2 H 1.662 0.030 1 903 91 91 LYS HD3 H 1.662 0.030 1 904 91 91 LYS HE2 H 2.969 0.030 1 905 91 91 LYS HE3 H 2.969 0.030 1 906 91 91 LYS HG2 H 1.615 0.030 2 907 91 91 LYS HG3 H 1.507 0.030 2 908 91 91 LYS C C 178.113 0.300 1 909 91 91 LYS CA C 56.935 0.300 1 910 91 91 LYS CB C 33.138 0.300 1 911 91 91 LYS CD C 29.382 0.300 1 912 91 91 LYS CE C 42.123 0.300 1 913 91 91 LYS CG C 25.437 0.300 1 914 91 91 LYS N N 113.552 0.300 1 915 92 92 SER H H 7.570 0.030 1 916 92 92 SER HA H 4.442 0.030 1 917 92 92 SER HB2 H 4.121 0.030 2 918 92 92 SER HB3 H 4.048 0.030 2 919 92 92 SER C C 173.797 0.300 1 920 92 92 SER CA C 60.194 0.300 1 921 92 92 SER CB C 64.446 0.300 1 922 92 92 SER N N 112.796 0.300 1 923 93 93 SER H H 7.093 0.030 1 924 93 93 SER HA H 4.747 0.030 1 925 93 93 SER HB2 H 3.770 0.030 2 926 93 93 SER HB3 H 3.493 0.030 2 927 93 93 SER C C 173.161 0.300 1 928 93 93 SER CA C 56.809 0.300 1 929 93 93 SER CB C 64.946 0.300 1 930 93 93 SER N N 113.968 0.300 1 931 94 94 ARG H H 8.684 0.030 1 932 94 94 ARG HA H 4.332 0.030 1 933 94 94 ARG HB2 H 2.172 0.030 2 934 94 94 ARG HB3 H 1.759 0.030 2 935 94 94 ARG HD2 H 3.170 0.030 1 936 94 94 ARG HD3 H 3.170 0.030 1 937 94 94 ARG HG2 H 1.602 0.030 1 938 94 94 ARG HG3 H 1.602 0.030 1 939 94 94 ARG C C 174.379 0.300 1 940 94 94 ARG CA C 56.137 0.300 1 941 94 94 ARG CB C 29.879 0.300 1 942 94 94 ARG CD C 43.016 0.300 1 943 94 94 ARG CG C 27.212 0.300 1 944 95 95 HIS H H 8.020 0.030 1 945 95 95 HIS HA H 5.270 0.030 1 946 95 95 HIS HB2 H 3.109 0.030 2 947 95 95 HIS HB3 H 2.920 0.030 2 948 95 95 HIS HD2 H 6.890 0.030 1 949 95 95 HIS HE1 H 7.846 0.030 1 950 95 95 HIS C C 174.009 0.300 1 951 95 95 HIS CA C 54.379 0.300 1 952 95 95 HIS CB C 31.558 0.300 1 953 95 95 HIS CD2 C 118.339 0.300 1 954 95 95 HIS CE1 C 137.644 0.300 1 955 95 95 HIS N N 118.899 0.300 1 956 96 96 LEU H H 9.096 0.030 1 957 96 96 LEU HA H 4.801 0.030 1 958 96 96 LEU HB2 H 1.094 0.030 2 959 96 96 LEU HB3 H 1.721 0.030 2 960 96 96 LEU HD1 H 0.938 0.030 2 961 96 96 LEU HD2 H 0.845 0.030 2 962 96 96 LEU HG H 1.479 0.030 1 963 96 96 LEU C C 174.114 0.300 1 964 96 96 LEU CA C 53.485 0.300 1 965 96 96 LEU CB C 46.029 0.300 1 966 96 96 LEU CD1 C 27.156 0.300 2 967 96 96 LEU CD2 C 25.118 0.300 2 968 96 96 LEU CG C 27.011 0.300 1 969 96 96 LEU N N 126.882 0.300 1 970 97 97 ILE H H 8.777 0.030 1 971 97 97 ILE HA H 4.754 0.030 1 972 97 97 ILE HB H 1.784 0.030 1 973 97 97 ILE HD1 H 0.725 0.030 1 974 97 97 ILE HG12 H 1.019 0.030 2 975 97 97 ILE HG13 H 1.318 0.030 2 976 97 97 ILE HG2 H 0.787 0.030 1 977 97 97 ILE C C 176.445 0.300 1 978 97 97 ILE CA C 60.317 0.300 1 979 97 97 ILE CB C 38.176 0.300 1 980 97 97 ILE CD1 C 13.481 0.300 1 981 97 97 ILE CG1 C 27.308 0.300 1 982 97 97 ILE CG2 C 17.430 0.300 1 983 97 97 ILE N N 123.586 0.300 1 984 98 98 LEU H H 9.243 0.030 1 985 98 98 LEU HA H 5.131 0.030 1 986 98 98 LEU HB2 H 1.565 0.030 2 987 98 98 LEU HB3 H 1.363 0.030 2 988 98 98 LEU HD1 H 0.629 0.030 2 989 98 98 LEU HD2 H 0.725 0.030 2 990 98 98 LEU HG H 1.522 0.030 1 991 98 98 LEU C C 175.809 0.300 1 992 98 98 LEU CA C 54.279 0.300 1 993 98 98 LEU CB C 44.991 0.300 1 994 98 98 LEU CD1 C 26.752 0.300 2 995 98 98 LEU CD2 C 27.162 0.300 2 996 98 98 LEU CG C 28.299 0.300 1 997 98 98 LEU N N 128.618 0.300 1 998 99 99 THR H H 8.470 0.030 1 999 99 99 THR HA H 5.126 0.030 1 1000 99 99 THR HB H 3.860 0.030 1 1001 99 99 THR HG2 H 1.088 0.030 1 1002 99 99 THR C C 174.591 0.300 1 1003 99 99 THR CA C 61.973 0.300 1 1004 99 99 THR CB C 68.896 0.300 1 1005 99 99 THR CG2 C 22.171 0.300 1 1006 99 99 THR N N 118.948 0.300 1 1007 100 100 VAL H H 9.350 0.030 1 1008 100 100 VAL HA H 5.232 0.030 1 1009 100 100 VAL HB H 1.908 0.030 1 1010 100 100 VAL HG1 H 0.787 0.030 2 1011 100 100 VAL HG2 H 0.745 0.030 2 1012 100 100 VAL C C 173.505 0.300 1 1013 100 100 VAL CA C 59.020 0.300 1 1014 100 100 VAL CB C 36.003 0.300 1 1015 100 100 VAL CG1 C 21.876 0.300 2 1016 100 100 VAL CG2 C 20.247 0.300 2 1017 100 100 VAL N N 123.781 0.300 1 1018 101 101 LYS H H 9.078 0.030 1 1019 101 101 LYS HA H 4.848 0.030 1 1020 101 101 LYS HB2 H 1.853 0.030 2 1021 101 101 LYS HB3 H 1.563 0.030 2 1022 101 101 LYS HD2 H 1.708 0.030 1 1023 101 101 LYS HD3 H 1.708 0.030 1 1024 101 101 LYS HE2 H 2.991 0.030 1 1025 101 101 LYS HE3 H 2.991 0.030 1 1026 101 101 LYS HG2 H 1.406 0.030 1 1027 101 101 LYS HG3 H 1.406 0.030 1 1028 101 101 LYS C C 175.121 0.300 1 1029 101 101 LYS CA C 54.442 0.300 1 1030 101 101 LYS CB C 36.075 0.300 1 1031 101 101 LYS CD C 29.480 0.300 1 1032 101 101 LYS CE C 42.224 0.300 1 1033 101 101 LYS CG C 24.937 0.300 1 1034 101 101 LYS N N 123.756 0.300 1 1035 102 102 ASP H H 8.708 0.030 1 1036 102 102 ASP HA H 4.807 0.030 1 1037 102 102 ASP HB2 H 2.765 0.030 2 1038 102 102 ASP HB3 H 2.535 0.030 2 1039 102 102 ASP C C 176.471 0.300 1 1040 102 102 ASP CA C 53.344 0.300 1 1041 102 102 ASP CB C 42.404 0.300 1 1042 102 102 ASP N N 127.553 0.300 1 1043 103 103 VAL H H 8.690 0.030 1 1044 103 103 VAL HA H 4.184 0.030 1 1045 103 103 VAL HB H 2.253 0.030 1 1046 103 103 VAL HG1 H 1.116 0.030 2 1047 103 103 VAL HG2 H 1.049 0.030 2 1048 103 103 VAL C C 176.683 0.300 1 1049 103 103 VAL CA C 62.714 0.300 1 1050 103 103 VAL CB C 32.151 0.300 1 1051 103 103 VAL CG1 C 21.116 0.300 2 1052 103 103 VAL CG2 C 20.862 0.300 2 1053 103 103 VAL N N 123.063 0.300 1 1054 104 104 GLY H H 8.565 0.030 1 1055 104 104 GLY HA2 H 3.924 0.030 1 1056 104 104 GLY HA3 H 3.924 0.030 1 1057 104 104 GLY C C 174.167 0.300 1 1058 104 104 GLY CA C 45.487 0.300 1 1059 104 104 GLY N N 110.894 0.300 1 1060 105 105 ARG H H 8.095 0.030 1 1061 105 105 ARG HA H 4.355 0.030 1 1062 105 105 ARG HB2 H 1.884 0.030 2 1063 105 105 ARG HB3 H 1.731 0.030 2 1064 105 105 ARG HD2 H 3.160 0.030 1 1065 105 105 ARG HD3 H 3.160 0.030 1 1066 105 105 ARG HG2 H 1.643 0.030 2 1067 105 105 ARG HG3 H 1.591 0.030 2 1068 105 105 ARG C C 175.915 0.300 1 1069 105 105 ARG CA C 55.119 0.300 1 1070 105 105 ARG CB C 30.920 0.300 1 1071 105 105 ARG CD C 43.210 0.300 1 1072 105 105 ARG CG C 26.912 0.300 1 1073 105 105 ARG N N 119.767 0.300 1 1074 106 106 LEU H H 8.119 0.030 1 1075 106 106 LEU HA H 4.548 0.030 1 1076 106 106 LEU HB2 H 1.613 0.030 2 1077 106 106 LEU HB3 H 1.475 0.030 2 1078 106 106 LEU HD1 H 0.911 0.030 2 1079 106 106 LEU HD2 H 0.951 0.030 2 1080 106 106 LEU HG H 1.845 0.030 1 1081 106 106 LEU C C 175.306 0.300 1 1082 106 106 LEU CA C 53.110 0.300 1 1083 106 106 LEU CB C 41.534 0.300 1 1084 106 106 LEU CD1 C 23.893 0.300 2 1085 106 106 LEU CD2 C 25.114 0.300 2 1086 106 106 LEU N N 124.148 0.300 1 1087 107 107 PRO HA H 4.342 0.030 1 1088 107 107 PRO HB2 H 2.215 0.030 2 1089 107 107 PRO HB3 H 1.817 0.030 2 1090 107 107 PRO HD2 H 3.767 0.030 2 1091 107 107 PRO HD3 H 3.565 0.030 2 1092 107 107 PRO HG2 H 1.969 0.030 1 1093 107 107 PRO HG3 H 1.969 0.030 1 1094 107 107 PRO C C 176.683 0.300 1 1095 107 107 PRO CA C 63.157 0.300 1 1096 107 107 PRO CB C 31.854 0.300 1 1097 107 107 PRO CD C 50.420 0.300 1 1098 107 107 PRO CG C 27.406 0.300 1 1099 108 108 HIS H H 8.178 0.030 1 1100 108 108 HIS HA H 4.539 0.030 1 1101 108 108 HIS HB2 H 3.085 0.030 1 1102 108 108 HIS HB3 H 3.085 0.030 1 1103 108 108 HIS HD2 H 7.025 0.030 1 1104 108 108 HIS HE1 H 7.891 0.030 1 1105 108 108 HIS C C 175.147 0.300 1 1106 108 108 HIS CA C 55.930 0.300 1 1107 108 108 HIS CB C 30.570 0.300 1 1108 108 108 HIS CD2 C 119.934 0.300 1 1109 108 108 HIS CE1 C 138.249 0.300 1 1110 108 108 HIS N N 118.826 0.300 1 1111 109 109 ALA H H 8.154 0.030 1 1112 109 109 ALA HA H 4.283 0.030 1 1113 109 109 ALA HB H 1.340 0.030 1 1114 109 109 ALA C C 177.451 0.300 1 1115 109 109 ALA CA C 52.442 0.300 1 1116 109 109 ALA CB C 19.409 0.300 1 1117 109 109 ALA N N 125.076 0.300 1 1118 110 110 ARG H H 8.415 0.030 1 1119 110 110 ARG HA H 4.365 0.030 1 1120 110 110 ARG HB2 H 1.815 0.030 2 1121 110 110 ARG HD2 H 3.167 0.030 2 1122 110 110 ARG C C 176.498 0.300 1 1123 110 110 ARG CA C 55.795 0.300 1 1124 110 110 ARG CB C 30.768 0.300 1 1125 110 110 ARG CD C 43.308 0.300 1 1126 110 110 ARG CG C 27.110 0.300 1 1127 110 110 ARG N N 120.583 0.300 1 1128 111 111 THR H H 8.253 0.030 1 1129 111 111 THR HA H 4.426 0.030 1 1130 111 111 THR HB H 4.247 0.030 1 1131 111 111 THR HG2 H 1.194 0.030 1 1132 111 111 THR C C 174.697 0.300 1 1133 111 111 THR CA C 61.735 0.300 1 1134 111 111 THR CB C 69.782 0.300 1 1135 111 111 THR CG2 C 21.779 0.300 1 1136 111 111 THR N N 115.080 0.300 1 1137 112 112 THR H H 8.159 0.030 1 1138 112 112 THR HA H 4.390 0.030 1 1139 112 112 THR HB H 4.236 0.030 1 1140 112 112 THR HG2 H 1.181 0.030 1 1141 112 112 THR C C 177.186 0.300 1 1142 112 112 THR CA C 61.520 0.300 1 1143 112 112 THR CB C 69.881 0.300 1 1144 112 112 THR CG2 C 21.678 0.300 1 1145 112 112 THR N N 116.274 0.300 1 1146 113 113 VAL H H 8.150 0.030 1 1147 113 113 VAL HA H 4.091 0.030 1 1148 113 113 VAL HB H 2.065 0.030 1 1149 113 113 VAL HG1 H 0.906 0.030 2 1150 113 113 VAL HG2 H 0.904 0.030 2 1151 113 113 VAL C C 175.703 0.300 1 1152 113 113 VAL CA C 62.461 0.300 1 1153 113 113 VAL CB C 32.842 0.300 1 1154 113 113 VAL CG1 C 20.575 0.300 2 1155 113 113 VAL CG2 C 21.187 0.300 2 1156 113 113 VAL N N 121.805 0.300 1 1157 114 114 ASP H H 8.281 0.030 1 1158 114 114 ASP HA H 4.573 0.030 1 1159 114 114 ASP HB2 H 2.723 0.030 2 1160 114 114 ASP HB3 H 2.594 0.030 2 1161 114 114 ASP C C 176.498 0.300 1 1162 114 114 ASP CA C 53.893 0.300 1 1163 114 114 ASP CB C 41.171 0.300 1 1164 114 114 ASP N N 123.537 0.300 1 1165 115 115 GLU H H 8.498 0.030 1 1166 115 115 GLU HA H 4.155 0.030 1 1167 115 115 GLU HB2 H 2.063 0.030 2 1168 115 115 GLU HB3 H 1.941 0.030 2 1169 115 115 GLU HG2 H 2.248 0.030 2 1170 115 115 GLU HG3 H 2.171 0.030 1 1171 115 115 GLU C C 177.054 0.300 1 1172 115 115 GLU CA C 57.143 0.300 1 1173 115 115 GLU CB C 30.077 0.300 1 1174 115 115 GLU CG C 36.394 0.300 1 1175 115 115 GLU N N 122.607 0.300 1 1176 116 116 THR H H 8.239 0.030 1 1177 116 116 THR HA H 4.176 0.030 1 1178 116 116 THR HB H 4.243 0.030 1 1179 116 116 THR HG2 H 1.141 0.030 1 1180 116 116 THR C C 175.041 0.300 1 1181 116 116 THR CA C 63.026 0.300 1 1182 116 116 THR CB C 69.885 0.300 1 1183 116 116 THR CG2 C 21.678 0.300 1 1184 116 116 THR N N 114.309 0.300 1 1185 117 117 LYS H H 7.972 0.030 1 1186 117 117 LYS HA H 4.254 0.030 1 1187 117 117 LYS HB2 H 1.706 0.030 2 1188 117 117 LYS HB3 H 1.669 0.030 2 1189 117 117 LYS HD2 H 1.597 0.030 1 1190 117 117 LYS HD3 H 1.597 0.030 1 1191 117 117 LYS HE2 H 2.904 0.030 1 1192 117 117 LYS HE3 H 2.904 0.030 1 1193 117 117 LYS HG2 H 1.247 0.030 1 1194 117 117 LYS HG3 H 1.247 0.030 1 1195 117 117 LYS C C 176.206 0.300 1 1196 117 117 LYS CA C 56.053 0.300 1 1197 117 117 LYS CB C 32.811 0.300 1 1198 117 117 LYS CD C 28.789 0.300 1 1199 117 117 LYS CE C 42.123 0.300 1 1200 117 117 LYS CG C 24.542 0.300 1 1201 117 117 LYS N N 122.781 0.300 1 1202 118 118 TRP H H 7.985 0.030 1 1203 118 118 TRP HA H 4.628 0.030 1 1204 118 118 TRP HB2 H 3.268 0.030 2 1205 118 118 TRP HB3 H 3.196 0.030 2 1206 118 118 TRP HD1 H 7.193 0.030 1 1207 118 118 TRP HE1 H 10.084 0.030 1 1208 118 118 TRP HE3 H 7.555 0.030 1 1209 118 118 TRP HH2 H 7.174 0.030 1 1210 118 118 TRP HZ2 H 7.442 0.030 1 1211 118 118 TRP HZ3 H 7.082 0.030 1 1212 118 118 TRP C C 176.085 0.300 1 1213 118 118 TRP CA C 57.320 0.300 1 1214 118 118 TRP CB C 29.484 0.300 1 1215 118 118 TRP CD1 C 127.003 0.300 1 1216 118 118 TRP CE3 C 120.816 0.300 1 1217 118 118 TRP CH2 C 124.476 0.300 1 1218 118 118 TRP CZ2 C 114.454 0.300 1 1219 118 118 TRP CZ3 C 121.867 0.300 1 1220 118 118 TRP N N 121.785 0.300 1 1221 118 118 TRP NE1 N 129.171 0.300 1 1222 119 119 ILE H H 7.797 0.030 1 1223 119 119 ILE HA H 4.003 0.030 1 1224 119 119 ILE HB H 1.724 0.030 1 1225 119 119 ILE HD1 H 0.804 0.030 1 1226 119 119 ILE HG12 H 1.380 0.030 2 1227 119 119 ILE HG13 H 1.068 0.030 2 1228 119 119 ILE HG2 H 0.823 0.030 1 1229 119 119 ILE C C 177.769 0.300 1 1230 119 119 ILE CA C 60.897 0.300 1 1231 119 119 ILE CB C 38.966 0.300 1 1232 119 119 ILE CD1 C 12.986 0.300 1 1233 119 119 ILE CG1 C 27.209 0.300 1 1234 119 119 ILE CG2 C 17.233 0.300 1 1235 119 119 ILE N N 122.830 0.300 1 1236 120 120 ALA H H 8.155 0.030 1 1237 120 120 ALA HA H 4.168 0.030 1 1238 120 120 ALA HB H 1.377 0.030 1 1239 120 120 ALA C C 177.795 0.300 1 1240 120 120 ALA CA C 52.600 0.300 1 1241 120 120 ALA CB C 19.212 0.300 1 1242 120 120 ALA N N 127.567 0.300 1 1243 121 121 SER H H 8.179 0.030 1 1244 121 121 SER C C 174.697 0.300 1 1245 121 121 SER CA C 57.908 0.300 1 1246 121 121 SER CB C 63.856 0.300 1 1247 121 121 SER N N 114.857 0.300 1 1248 123 123 SER C C 174.432 0.300 1 1249 123 123 SER CA C 58.097 0.300 1 1250 123 123 SER CB C 63.955 0.300 1 1251 124 124 GLY H H 8.164 0.030 1 1252 124 124 GLY C C 171.705 0.300 1 1253 124 124 GLY CA C 44.257 0.300 1 1254 124 124 GLY N N 110.561 0.300 1 1255 125 125 PRO HA H 4.467 0.030 1 1256 125 125 PRO HB2 H 2.277 0.030 2 1257 125 125 PRO HB3 H 1.965 0.030 2 1258 125 125 PRO HD2 H 3.576 0.030 2 1259 125 125 PRO HG2 H 1.742 0.030 2 1260 125 125 PRO C C 177.318 0.300 1 1261 125 125 PRO CA C 63.172 0.300 1 1262 125 125 PRO CB C 32.151 0.300 1 1263 125 125 PRO CD C 49.630 0.300 1 1264 125 125 PRO CG C 27.209 0.300 1 1265 126 126 SER H H 8.503 0.030 1 1266 126 126 SER HA H 4.505 0.030 1 1267 126 126 SER HB2 H 3.894 0.030 1 1268 126 126 SER HB3 H 3.894 0.030 1 1269 126 126 SER C C 174.644 0.300 1 1270 126 126 SER CA C 58.230 0.300 1 1271 126 126 SER CB C 64.054 0.300 1 1272 126 126 SER N N 116.432 0.300 1 1273 127 127 SER H H 8.309 0.030 1 1274 127 127 SER HA H 4.503 0.030 1 1275 127 127 SER HB2 H 3.879 0.030 1 1276 127 127 SER HB3 H 3.879 0.030 1 1277 127 127 SER C C 173.903 0.300 1 1278 127 127 SER CA C 58.270 0.300 1 1279 127 127 SER CB C 64.054 0.300 1 1280 127 127 SER N N 117.740 0.300 1 1281 128 128 GLY H H 8.030 0.030 1 1282 128 128 GLY C C 178.987 0.300 1 1283 128 128 GLY CA C 45.779 0.300 1 1284 128 128 GLY N N 116.873 0.300 1 stop_ save_