data_6745 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments of human HnRNP F ; _BMRB_accession_number 6745 _BMRB_flat_file_name bmr6745.str _Entry_type original _Submission_date 2005-07-25 _Accession_date 2005-07-25 _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 Dominguez Cyril . . 2 Allain Frederic H.-T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1053 "13C chemical shifts" 443 "15N chemical shifts" 190 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-12-20 original author . stop_ _Original_release_date 2005-12-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance Assignments of the Two N-terminal RNA Recognition Motifs (RRM) of the Human Heterogeneous Nuclear Ribonucleoprotein F (HnRNP F) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16341757 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dominguez Cyril . . 2 Allain Frederic H.-T. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 33 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 282 _Page_last 282 _Year 2005 _Details . loop_ _Keyword 'G-tract recognition' 'RNA recognition motif' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HnRNP F RRM12' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HnRNP F RRM12' $HnRNP_F_RRM12 stop_ _System_molecular_weight 21655 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'HnRNP F RRM12' stop_ loop_ _Biological_function 'Alternative splicing regulation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HnRNP_F_RRM12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Heterogeneous nuclear ribonucleoprotein F, RRM domains 1 and 2' _Molecular_mass 21655 _Mol_thiol_state 'all free' loop_ _Biological_function 'alternative splicing regulation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 194 _Mol_residue_sequence ; MMLGPEGGEGFVVKLRGLPW SCSVEDVQNFLSDCTIHDGA AGVHFIYTREGRQSGEAFVE LGSEDDVKMALKKDRESMGH RYIEVFKSHRTEMDWVLKHS GPNSADSANDGFVRLRGLPF GCTKEEIVQFFSGLEIVPNG ITLPVDPEGKITGEAFVQFA SQELAEKALGKHKERIGHRY IEVFKSSQEEVRSY ; loop_ _Residue_seq_code _Residue_label 1 MET 2 MET 3 LEU 4 GLY 5 PRO 6 GLU 7 GLY 8 GLY 9 GLU 10 GLY 11 PHE 12 VAL 13 VAL 14 LYS 15 LEU 16 ARG 17 GLY 18 LEU 19 PRO 20 TRP 21 SER 22 CYS 23 SER 24 VAL 25 GLU 26 ASP 27 VAL 28 GLN 29 ASN 30 PHE 31 LEU 32 SER 33 ASP 34 CYS 35 THR 36 ILE 37 HIS 38 ASP 39 GLY 40 ALA 41 ALA 42 GLY 43 VAL 44 HIS 45 PHE 46 ILE 47 TYR 48 THR 49 ARG 50 GLU 51 GLY 52 ARG 53 GLN 54 SER 55 GLY 56 GLU 57 ALA 58 PHE 59 VAL 60 GLU 61 LEU 62 GLY 63 SER 64 GLU 65 ASP 66 ASP 67 VAL 68 LYS 69 MET 70 ALA 71 LEU 72 LYS 73 LYS 74 ASP 75 ARG 76 GLU 77 SER 78 MET 79 GLY 80 HIS 81 ARG 82 TYR 83 ILE 84 GLU 85 VAL 86 PHE 87 LYS 88 SER 89 HIS 90 ARG 91 THR 92 GLU 93 MET 94 ASP 95 TRP 96 VAL 97 LEU 98 LYS 99 HIS 100 SER 101 GLY 102 PRO 103 ASN 104 SER 105 ALA 106 ASP 107 SER 108 ALA 109 ASN 110 ASP 111 GLY 112 PHE 113 VAL 114 ARG 115 LEU 116 ARG 117 GLY 118 LEU 119 PRO 120 PHE 121 GLY 122 CYS 123 THR 124 LYS 125 GLU 126 GLU 127 ILE 128 VAL 129 GLN 130 PHE 131 PHE 132 SER 133 GLY 134 LEU 135 GLU 136 ILE 137 VAL 138 PRO 139 ASN 140 GLY 141 ILE 142 THR 143 LEU 144 PRO 145 VAL 146 ASP 147 PRO 148 GLU 149 GLY 150 LYS 151 ILE 152 THR 153 GLY 154 GLU 155 ALA 156 PHE 157 VAL 158 GLN 159 PHE 160 ALA 161 SER 162 GLN 163 GLU 164 LEU 165 ALA 166 GLU 167 LYS 168 ALA 169 LEU 170 GLY 171 LYS 172 HIS 173 LYS 174 GLU 175 ARG 176 ILE 177 GLY 178 HIS 179 ARG 180 TYR 181 ILE 182 GLU 183 VAL 184 PHE 185 LYS 186 SER 187 SER 188 GLN 189 GLU 190 GLU 191 VAL 192 ARG 193 SER 194 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 REF XP_004607668 "PREDICTED: heterogeneous nuclear ribonucleoprotein F, partial [Sorex araneus]" 100.00 210 97.94 99.48 3.96e-137 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HnRNP_F_RRM12 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 $HnRNP_F_RRM12 'recombinant technology' 'E. coli' . . . . 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 $HnRNP_F_RRM12 0.4 mM '[U-13C; U-15N]' NaH2PO4 25 mM . NaCl 50 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_(15N-1H)-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (15N-1H)-HSQC' _Sample_label $sample_1 save_ save_2D_(13C-1H)-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (13C-1H)-HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(C)CH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_NOESY-(15N-1H)-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NOESY-(15N-1H)-HSQC' _Sample_label $sample_1 save_ save_3D_NOESY-(13C-1H)-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D NOESY-(13C-1H)-HSQC' _Sample_label $sample_1 save_ save_2D_(1H-1H)-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H-1H)-TOCSY' _Sample_label $sample_1 save_ save_2D_(1H-1H)-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (1H-1H)-NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.075 0.005 M pH 6.2 0.2 pH temperature 313 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'HnRNP F RRM12' _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 3 3 LEU H H 8.227 0.020 1 2 3 3 LEU HA H 4.478 0.020 1 3 3 3 LEU HB2 H 1.723 0.020 2 4 3 3 LEU HB3 H 1.668 0.020 2 5 3 3 LEU HD1 H 0.957 0.020 2 6 3 3 LEU HD2 H 0.962 0.020 2 7 3 3 LEU CA C 52.460 0.300 1 8 3 3 LEU CB C 40.158 0.300 1 9 3 3 LEU CD1 C 22.588 0.300 1 10 3 3 LEU CD2 C 22.478 0.300 1 11 3 3 LEU N N 123.208 0.300 1 12 4 4 GLY H H 8.218 0.020 1 13 4 4 GLY HA2 H 4.221 0.020 2 14 4 4 GLY HA3 H 4.120 0.020 2 15 4 4 GLY CA C 42.096 0.300 1 16 4 4 GLY N N 109.461 0.300 1 17 8 8 GLY H H 8.156 0.020 1 18 8 8 GLY HA2 H 3.988 0.020 1 19 8 8 GLY HA3 H 3.988 0.020 1 20 8 8 GLY CA C 42.718 0.300 1 21 8 8 GLY N N 108.338 0.300 1 22 9 9 GLU H H 8.396 0.020 1 23 9 9 GLU HA H 4.282 0.020 1 24 9 9 GLU HB2 H 2.107 0.020 2 25 9 9 GLU HB3 H 1.971 0.020 2 26 9 9 GLU HG2 H 2.305 0.020 1 27 9 9 GLU HG3 H 2.305 0.020 1 28 9 9 GLU CA C 54.464 0.300 1 29 9 9 GLU CB C 27.854 0.300 1 30 9 9 GLU CG C 33.477 0.300 1 31 9 9 GLU N N 120.288 0.300 1 32 10 10 GLY H H 7.964 0.020 1 33 10 10 GLY HA2 H 3.808 0.020 2 34 10 10 GLY HA3 H 3.519 0.020 2 35 10 10 GLY CA C 41.786 0.300 1 36 10 10 GLY N N 107.431 0.300 1 37 11 11 PHE H H 8.401 0.020 1 38 11 11 PHE HA H 4.894 0.020 1 39 11 11 PHE HB2 H 2.955 0.020 2 40 11 11 PHE HB3 H 2.780 0.020 2 41 11 11 PHE HD1 H 7.174 0.020 1 42 11 11 PHE HD2 H 7.174 0.020 1 43 11 11 PHE HE1 H 7.452 0.020 1 44 11 11 PHE HE2 H 7.452 0.020 1 45 11 11 PHE CA C 53.480 0.300 1 46 11 11 PHE CB C 36.414 0.300 1 47 11 11 PHE N N 121.567 0.300 1 48 12 12 VAL H H 8.893 0.020 1 49 12 12 VAL HA H 5.241 0.020 1 50 12 12 VAL HB H 1.668 0.020 1 51 12 12 VAL HG1 H 1.109 0.020 2 52 12 12 VAL HG2 H 0.916 0.020 2 53 12 12 VAL CA C 58.238 0.300 1 54 12 12 VAL CB C 33.807 0.300 1 55 12 12 VAL CG1 C 20.536 0.300 1 56 12 12 VAL CG2 C 19.343 0.300 1 57 12 12 VAL N N 123.804 0.300 1 58 13 13 VAL H H 8.708 0.020 1 59 13 13 VAL HA H 5.177 0.020 1 60 13 13 VAL HB H 2.245 0.020 1 61 13 13 VAL HG1 H 0.960 0.020 2 62 13 13 VAL HG2 H 0.817 0.020 2 63 13 13 VAL CA C 56.319 0.300 1 64 13 13 VAL CB C 32.630 0.300 1 65 13 13 VAL CG1 C 19.934 0.300 1 66 13 13 VAL CG2 C 15.634 0.300 1 67 13 13 VAL N N 116.508 0.300 1 68 14 14 LYS H H 9.356 0.020 1 69 14 14 LYS HA H 5.093 0.020 1 70 14 14 LYS HB2 H 1.624 0.020 2 71 14 14 LYS HB3 H 1.374 0.020 2 72 14 14 LYS HG2 H 0.932 0.020 2 73 14 14 LYS HG3 H 0.636 0.020 2 74 14 14 LYS HD2 H 1.432 0.020 2 75 14 14 LYS HD3 H 1.392 0.020 2 76 14 14 LYS HE2 H 2.633 0.020 2 77 14 14 LYS HE3 H 2.371 0.020 2 78 14 14 LYS CA C 51.544 0.300 1 79 14 14 LYS CB C 33.619 0.300 1 80 14 14 LYS CG C 22.295 0.300 1 81 14 14 LYS CD C 26.860 0.300 1 82 14 14 LYS CE C 39.209 0.300 1 83 14 14 LYS N N 123.654 0.300 1 84 15 15 LEU H H 9.113 0.020 1 85 15 15 LEU HA H 5.666 0.020 1 86 15 15 LEU HB2 H 1.514 0.020 2 87 15 15 LEU HB3 H 1.387 0.020 2 88 15 15 LEU HG H 1.757 0.020 1 89 15 15 LEU HD1 H 0.849 0.020 2 90 15 15 LEU HD2 H 0.935 0.020 2 91 15 15 LEU CA C 50.533 0.300 1 92 15 15 LEU CB C 42.168 0.300 1 93 15 15 LEU CG C 26.128 0.300 1 94 15 15 LEU CD1 C 23.720 0.300 1 95 15 15 LEU CD2 C 23.292 0.300 1 96 15 15 LEU N N 125.419 0.300 1 97 16 16 ARG H H 9.082 0.020 1 98 16 16 ARG HA H 5.128 0.020 1 99 16 16 ARG HB2 H 2.052 0.020 2 100 16 16 ARG HB3 H 1.887 0.020 2 101 16 16 ARG HG2 H 1.767 0.020 1 102 16 16 ARG HG3 H 1.767 0.020 1 103 16 16 ARG HD2 H 3.277 0.020 1 104 16 16 ARG HD3 H 3.277 0.020 1 105 16 16 ARG CA C 52.908 0.300 1 106 16 16 ARG CB C 32.435 0.300 1 107 16 16 ARG CG C 25.110 0.300 1 108 16 16 ARG CD C 41.440 0.300 1 109 16 16 ARG N N 119.233 0.300 1 110 17 17 GLY H H 8.011 0.020 1 111 17 17 GLY HA2 H 4.704 0.020 2 112 17 17 GLY HA3 H 3.737 0.020 2 113 17 17 GLY CA C 42.366 0.300 1 114 17 17 GLY N N 111.616 0.300 1 115 18 18 LEU H H 8.466 0.020 1 116 18 18 LEU HA H 4.043 0.020 1 117 18 18 LEU HB2 H 1.518 0.020 2 118 18 18 LEU HB3 H 1.437 0.020 2 119 18 18 LEU HG H 1.516 0.020 1 120 18 18 LEU HD1 H 0.761 0.020 2 121 18 18 LEU HD2 H 0.783 0.020 2 122 18 18 LEU CA C 51.042 0.300 1 123 18 18 LEU CB C 38.103 0.300 1 124 18 18 LEU CG C 24.377 0.300 1 125 18 18 LEU CD1 C 24.015 0.300 1 126 18 18 LEU CD2 C 20.541 0.300 1 127 18 18 LEU N N 119.409 0.300 1 128 19 19 PRO HA H 4.360 0.020 1 129 19 19 PRO HB2 H 2.279 0.020 2 130 19 19 PRO HB3 H 1.892 0.020 2 131 19 19 PRO HG2 H 1.987 0.020 1 132 19 19 PRO HG3 H 1.987 0.020 1 133 19 19 PRO HD2 H 3.612 0.020 2 134 19 19 PRO HD3 H 3.510 0.020 2 135 19 19 PRO CA C 59.773 0.300 1 136 19 19 PRO CB C 29.593 0.300 1 137 19 19 PRO CG C 24.738 0.300 1 138 19 19 PRO CD C 48.010 0.300 1 139 20 20 TRP H H 8.119 0.020 1 140 20 20 TRP HA H 4.453 0.020 1 141 20 20 TRP HB2 H 3.360 0.020 1 142 20 20 TRP HB3 H 3.360 0.020 1 143 20 20 TRP HD1 H 7.266 0.020 1 144 20 20 TRP HE3 H 7.635 0.020 1 145 20 20 TRP HZ2 H 7.540 0.020 1 146 20 20 TRP HZ3 H 7.172 0.020 1 147 20 20 TRP HH2 H 7.269 0.020 1 148 20 20 TRP CA C 55.732 0.300 1 149 20 20 TRP CB C 25.904 0.300 1 150 20 20 TRP N N 120.976 0.300 1 151 21 21 SER H H 7.254 0.020 1 152 21 21 SER HA H 4.159 0.020 1 153 21 21 SER HB2 H 3.753 0.020 2 154 21 21 SER HB3 H 3.379 0.020 2 155 21 21 SER CA C 54.470 0.300 1 156 21 21 SER CB C 60.130 0.300 1 157 21 21 SER N N 111.933 0.300 1 158 22 22 CYS H H 7.630 0.020 1 159 22 22 CYS HA H 4.410 0.020 1 160 22 22 CYS HB2 H 3.057 0.020 2 161 22 22 CYS HB3 H 2.746 0.020 2 162 22 22 CYS CA C 57.114 0.300 1 163 22 22 CYS CB C 25.344 0.300 1 164 22 22 CYS N N 122.305 0.300 1 165 23 23 SER H H 9.345 0.020 1 166 23 23 SER HA H 5.064 0.020 1 167 23 23 SER HB2 H 4.500 0.020 2 168 23 23 SER HB3 H 4.069 0.020 2 169 23 23 SER CA C 53.815 0.300 1 170 23 23 SER CB C 64.673 0.300 1 171 23 23 SER N N 122.353 0.300 1 172 24 24 VAL H H 9.174 0.020 1 173 24 24 VAL HA H 3.804 0.020 1 174 24 24 VAL HB H 2.245 0.020 1 175 24 24 VAL HG1 H 1.254 0.020 2 176 24 24 VAL HG2 H 1.085 0.020 2 177 24 24 VAL CA C 64.846 0.300 1 178 24 24 VAL CB C 29.035 0.300 1 179 24 24 VAL CG1 C 20.166 0.300 1 180 24 24 VAL CG2 C 18.621 0.300 1 181 24 24 VAL N N 121.081 0.300 1 182 25 25 GLU H H 8.743 0.020 1 183 25 25 GLU HA H 4.192 0.020 1 184 25 25 GLU HB2 H 2.130 0.020 2 185 25 25 GLU HB3 H 1.997 0.020 2 186 25 25 GLU HG2 H 2.476 0.020 2 187 25 25 GLU HG3 H 2.338 0.020 2 188 25 25 GLU CA C 57.671 0.300 1 189 25 25 GLU CB C 26.337 0.300 1 190 25 25 GLU CG C 34.449 0.300 1 191 25 25 GLU N N 120.869 0.300 1 192 26 26 ASP H H 7.973 0.020 1 193 26 26 ASP HA H 4.492 0.020 1 194 26 26 ASP HB2 H 3.338 0.020 2 195 26 26 ASP HB3 H 2.748 0.020 2 196 26 26 ASP CA C 55.270 0.300 1 197 26 26 ASP CB C 38.765 0.300 1 198 26 26 ASP N N 119.581 0.300 1 199 27 27 VAL H H 7.547 0.020 1 200 27 27 VAL HA H 3.466 0.020 1 201 27 27 VAL HB H 2.292 0.020 1 202 27 27 VAL HG1 H 0.970 0.020 2 203 27 27 VAL HG2 H 0.796 0.020 2 204 27 27 VAL CA C 64.790 0.300 1 205 27 27 VAL CB C 28.730 0.300 1 206 27 27 VAL CG1 C 21.070 0.300 1 207 27 27 VAL CG2 C 19.909 0.300 1 208 27 27 VAL N N 120.595 0.300 1 209 28 28 GLN H H 8.490 0.020 1 210 28 28 GLN HA H 3.794 0.020 1 211 28 28 GLN HB2 H 2.209 0.020 2 212 28 28 GLN HB3 H 2.091 0.020 2 213 28 28 GLN HG2 H 2.421 0.020 1 214 28 28 GLN HG3 H 2.421 0.020 1 215 28 28 GLN HE21 H 7.091 0.020 2 216 28 28 GLN HE22 H 6.706 0.020 2 217 28 28 GLN CA C 57.036 0.300 1 218 28 28 GLN CB C 26.632 0.300 1 219 28 28 GLN CG C 32.434 0.300 1 220 28 28 GLN N N 118.833 0.300 1 221 28 28 GLN NE2 N 109.325 0.300 1 222 29 29 ASN H H 8.368 0.020 1 223 29 29 ASN HA H 4.515 0.020 1 224 29 29 ASN HB2 H 2.971 0.020 2 225 29 29 ASN HB3 H 2.915 0.020 2 226 29 29 ASN HD21 H 7.715 0.020 2 227 29 29 ASN HD22 H 7.013 0.020 2 228 29 29 ASN CA C 52.897 0.300 1 229 29 29 ASN CB C 35.934 0.300 1 230 29 29 ASN N N 115.412 0.300 1 231 29 29 ASN ND2 N 112.796 0.300 1 232 30 30 PHE H H 8.048 0.020 1 233 30 30 PHE HA H 4.468 0.020 1 234 30 30 PHE HB2 H 3.410 0.020 2 235 30 30 PHE HB3 H 3.124 0.020 2 236 30 30 PHE HD1 H 7.175 0.020 1 237 30 30 PHE HD2 H 7.175 0.020 1 238 30 30 PHE HE1 H 7.030 0.020 1 239 30 30 PHE HE2 H 7.030 0.020 1 240 30 30 PHE HZ H 7.383 0.020 1 241 30 30 PHE CA C 58.561 0.300 1 242 30 30 PHE CB C 37.581 0.300 1 243 30 30 PHE N N 122.683 0.300 1 244 31 31 LEU H H 7.856 0.020 1 245 31 31 LEU HA H 4.514 0.020 1 246 31 31 LEU HB2 H 1.797 0.020 2 247 31 31 LEU HB3 H 1.611 0.020 2 248 31 31 LEU HG H 1.954 0.020 1 249 31 31 LEU HD1 H 0.850 0.020 2 250 31 31 LEU HD2 H 0.799 0.020 2 251 31 31 LEU CA C 49.527 0.300 1 252 31 31 LEU CB C 37.181 0.300 1 253 31 31 LEU CG C 23.930 0.300 1 254 31 31 LEU CD1 C 20.095 0.300 1 255 31 31 LEU CD2 C 19.920 0.300 1 256 31 31 LEU N N 118.236 0.300 1 257 32 32 SER H H 6.945 0.020 1 258 32 32 SER HA H 4.190 0.020 1 259 32 32 SER HB2 H 4.197 0.020 2 260 32 32 SER HB3 H 4.048 0.020 2 261 32 32 SER CA C 58.910 0.300 1 262 32 32 SER CB C 60.594 0.300 1 263 32 32 SER N N 114.123 0.300 1 264 33 33 ASP H H 8.586 0.020 1 265 33 33 ASP HA H 4.628 0.020 1 266 33 33 ASP HB2 H 2.884 0.020 2 267 33 33 ASP HB3 H 2.810 0.020 2 268 33 33 ASP CA C 52.177 0.300 1 269 33 33 ASP CB C 38.036 0.300 1 270 33 33 ASP N N 118.465 0.300 1 271 34 34 CYS H H 7.982 0.020 1 272 34 34 CYS HA H 4.714 0.020 1 273 34 34 CYS HB2 H 2.968 0.020 2 274 34 34 CYS HB3 H 2.672 0.020 2 275 34 34 CYS CB C 27.534 0.300 1 276 34 34 CYS N N 116.616 0.300 1 277 35 35 THR H H 8.769 0.020 1 278 35 35 THR HA H 4.304 0.020 1 279 35 35 THR HB H 4.322 0.020 1 280 35 35 THR HG2 H 1.189 0.020 1 281 35 35 THR CA C 60.428 0.300 1 282 35 35 THR CB C 66.301 0.300 1 283 35 35 THR N N 121.961 0.300 1 284 36 36 ILE H H 8.613 0.020 1 285 36 36 ILE HA H 4.305 0.020 1 286 36 36 ILE HB H 1.667 0.020 1 287 36 36 ILE HG12 H 1.584 0.020 1 288 36 36 ILE HG13 H 1.584 0.020 1 289 36 36 ILE HG2 H 1.001 0.020 1 290 36 36 ILE HD1 H 0.718 0.020 1 291 36 36 ILE CA C 58.679 0.300 1 292 36 36 ILE CB C 35.898 0.300 1 293 36 36 ILE CG1 C 25.199 0.300 1 294 36 36 ILE CG2 C 14.831 0.300 1 295 36 36 ILE CD1 C 11.090 0.300 1 296 36 36 ILE N N 129.519 0.300 1 297 37 37 HIS H H 8.974 0.020 1 298 37 37 HIS HA H 4.250 0.020 1 299 37 37 HIS HB2 H 2.973 0.020 2 300 37 37 HIS HB3 H 2.668 0.020 2 301 37 37 HIS HD2 H 8.642 0.020 1 302 37 37 HIS HE1 H 7.249 0.020 1 303 37 37 HIS CA C 54.546 0.300 1 304 37 37 HIS CB C 26.486 0.300 1 305 37 37 HIS N N 130.567 0.300 1 306 38 38 ASP H H 8.380 0.020 1 307 38 38 ASP HA H 4.108 0.020 1 308 38 38 ASP HB2 H 2.867 0.020 2 309 38 38 ASP HB3 H 2.363 0.020 2 310 38 38 ASP CA C 52.586 0.300 1 311 38 38 ASP CB C 36.347 0.300 1 312 38 38 ASP N N 121.220 0.300 1 313 39 39 GLY H H 7.807 0.020 1 314 39 39 GLY HA2 H 3.855 0.020 2 315 39 39 GLY HA3 H 3.522 0.020 2 316 39 39 GLY CA C 44.078 0.300 1 317 39 39 GLY N N 107.019 0.300 1 318 40 40 ALA H H 8.682 0.020 1 319 40 40 ALA HA H 3.788 0.020 1 320 40 40 ALA HB H 1.514 0.020 1 321 40 40 ALA CA C 52.370 0.300 1 322 40 40 ALA CB C 16.236 0.300 1 323 40 40 ALA N N 126.995 0.300 1 324 41 41 ALA H H 7.494 0.020 1 325 41 41 ALA HA H 4.247 0.020 1 326 41 41 ALA HB H 1.545 0.020 1 327 41 41 ALA CA C 50.694 0.300 1 328 41 41 ALA CB C 15.802 0.300 1 329 41 41 ALA N N 116.399 0.300 1 330 42 42 GLY H H 8.119 0.020 1 331 42 42 GLY HA2 H 4.411 0.020 2 332 42 42 GLY HA3 H 4.254 0.020 2 333 42 42 GLY CA C 42.813 0.300 1 334 42 42 GLY N N 107.184 0.300 1 335 43 43 VAL H H 7.033 0.020 1 336 43 43 VAL HA H 4.155 0.020 1 337 43 43 VAL HB H 2.116 0.020 1 338 43 43 VAL HG1 H 0.885 0.020 2 339 43 43 VAL HG2 H 0.329 0.020 2 340 43 43 VAL CA C 59.402 0.300 1 341 43 43 VAL CB C 29.405 0.300 1 342 43 43 VAL CG1 C 18.715 0.300 1 343 43 43 VAL N N 119.389 0.300 1 344 44 44 HIS H H 9.052 0.020 1 345 44 44 HIS HA H 5.117 0.020 1 346 44 44 HIS HB2 H 3.505 0.020 2 347 44 44 HIS HB3 H 3.175 0.020 2 348 44 44 HIS HD2 H 8.642 0.020 1 349 44 44 HIS HE1 H 7.088 0.020 1 350 44 44 HIS CA C 49.871 0.300 1 351 44 44 HIS CB C 26.826 0.300 1 352 44 44 HIS N N 124.353 0.300 1 353 45 45 PHE H H 8.886 0.020 1 354 45 45 PHE HA H 4.543 0.020 1 355 45 45 PHE HB2 H 2.812 0.020 1 356 45 45 PHE HB3 H 2.812 0.020 1 357 45 45 PHE HD1 H 7.284 0.020 1 358 45 45 PHE HD2 H 7.284 0.020 1 359 45 45 PHE HE1 H 7.097 0.020 1 360 45 45 PHE HE2 H 7.097 0.020 1 361 45 45 PHE HZ H 6.804 0.020 1 362 45 45 PHE CA C 57.305 0.300 1 363 45 45 PHE CB C 36.400 0.300 1 364 45 45 PHE N N 124.240 0.300 1 365 46 46 ILE H H 7.791 0.020 1 366 46 46 ILE HA H 4.544 0.020 1 367 46 46 ILE HB H 1.906 0.020 1 368 46 46 ILE HG12 H 1.611 0.020 2 369 46 46 ILE HG13 H 1.372 0.020 2 370 46 46 ILE HG2 H 1.009 0.020 1 371 46 46 ILE HD1 H 0.802 0.020 1 372 46 46 ILE CA C 57.113 0.300 1 373 46 46 ILE CB C 34.736 0.300 1 374 46 46 ILE CG1 C 24.776 0.300 1 375 46 46 ILE CG2 C 15.092 0.300 1 376 46 46 ILE CD1 C 9.720 0.300 1 377 46 46 ILE N N 119.890 0.300 1 378 47 47 TYR H H 9.367 0.020 1 379 47 47 TYR HA H 5.293 0.020 1 380 47 47 TYR HB2 H 3.002 0.020 2 381 47 47 TYR HB3 H 2.960 0.020 2 382 47 47 TYR HD1 H 7.026 0.020 1 383 47 47 TYR HD2 H 7.026 0.020 1 384 47 47 TYR HE1 H 6.912 0.020 1 385 47 47 TYR HE2 H 6.912 0.020 1 386 47 47 TYR CA C 55.017 0.300 1 387 47 47 TYR CB C 38.424 0.300 1 388 47 47 TYR N N 129.622 0.300 1 389 48 48 THR H H 9.419 0.020 1 390 48 48 THR HA H 4.707 0.020 1 391 48 48 THR HB H 3.933 0.020 1 392 48 48 THR HG2 H 1.301 0.020 1 393 48 48 THR CG2 C 19.106 0.300 1 394 48 48 THR N N 111.873 0.300 1 395 49 49 ARG H H 9.121 0.020 1 396 49 49 ARG HA H 4.107 0.020 1 397 49 49 ARG HB2 H 1.994 0.020 1 398 49 49 ARG HB3 H 1.994 0.020 1 399 49 49 ARG HG2 H 1.811 0.020 1 400 49 49 ARG HG3 H 1.811 0.020 1 401 49 49 ARG HD2 H 3.330 0.020 1 402 49 49 ARG HD3 H 3.330 0.020 1 403 49 49 ARG CA C 55.918 0.300 1 404 49 49 ARG CB C 27.082 0.300 1 405 49 49 ARG CG C 24.603 0.300 1 406 49 49 ARG CD C 40.716 0.300 1 407 49 49 ARG N N 121.231 0.300 1 408 50 50 GLU H H 7.884 0.020 1 409 50 50 GLU HA H 4.411 0.020 1 410 50 50 GLU HB2 H 1.943 0.020 1 411 50 50 GLU HB3 H 1.943 0.020 1 412 50 50 GLU HG2 H 2.284 0.020 1 413 50 50 GLU HG3 H 2.284 0.020 1 414 50 50 GLU CA C 54.165 0.300 1 415 50 50 GLU CB C 27.029 0.300 1 416 50 50 GLU CG C 34.204 0.300 1 417 50 50 GLU N N 114.509 0.300 1 418 51 51 GLY H H 8.267 0.020 1 419 51 51 GLY HA2 H 4.281 0.020 2 420 51 51 GLY HA3 H 3.682 0.020 2 421 51 51 GLY CA C 43.132 0.300 1 422 51 51 GLY N N 107.490 0.300 1 423 52 52 ARG H H 7.329 0.020 1 424 52 52 ARG HA H 4.722 0.020 1 425 52 52 ARG HB2 H 1.946 0.020 2 426 52 52 ARG HB3 H 1.766 0.020 2 427 52 52 ARG HG2 H 1.643 0.020 1 428 52 52 ARG HG3 H 1.643 0.020 1 429 52 52 ARG HD2 H 3.098 0.020 1 430 52 52 ARG HD3 H 3.098 0.020 1 431 52 52 ARG CB C 29.170 0.300 1 432 52 52 ARG N N 118.361 0.300 1 433 53 53 GLN H H 8.957 0.020 1 434 53 53 GLN HA H 3.932 0.020 1 435 53 53 GLN HB2 H 2.028 0.020 1 436 53 53 GLN HB3 H 2.028 0.020 1 437 53 53 GLN HG2 H 2.315 0.020 2 438 53 53 GLN HG3 H 1.963 0.020 2 439 53 53 GLN HE21 H 6.535 0.020 2 440 53 53 GLN HE22 H 6.387 0.020 2 441 53 53 GLN CA C 55.681 0.300 1 442 53 53 GLN CB C 25.431 0.300 1 443 53 53 GLN CG C 29.562 0.300 1 444 53 53 GLN N N 123.212 0.300 1 445 53 53 GLN NE2 N 109.069 0.300 1 446 54 54 SER H H 8.605 0.020 1 447 54 54 SER HA H 4.328 0.020 1 448 54 54 SER HB2 H 4.155 0.020 1 449 54 54 SER HB3 H 4.155 0.020 1 450 54 54 SER CA C 56.737 0.300 1 451 54 54 SER CB C 63.195 0.300 1 452 54 54 SER N N 118.125 0.300 1 453 55 55 GLY H H 8.787 0.020 1 454 55 55 GLY HA2 H 4.542 0.020 2 455 55 55 GLY HA3 H 4.004 0.020 2 456 55 55 GLY CA C 43.103 0.300 1 457 55 55 GLY N N 111.457 0.300 1 458 56 56 GLU H H 7.878 0.020 1 459 56 56 GLU HA H 5.680 0.020 1 460 56 56 GLU HB2 H 1.893 0.020 1 461 56 56 GLU HB3 H 1.893 0.020 1 462 56 56 GLU HG2 H 2.315 0.020 2 463 56 56 GLU HG3 H 2.164 0.020 2 464 56 56 GLU CA C 51.317 0.300 1 465 56 56 GLU CB C 31.817 0.300 1 466 56 56 GLU CG C 34.658 0.300 1 467 56 56 GLU N N 118.301 0.300 1 468 57 57 ALA H H 8.609 0.020 1 469 57 57 ALA HA H 5.088 0.020 1 470 57 57 ALA HB H 0.941 0.020 1 471 57 57 ALA CA C 48.628 0.300 1 472 57 57 ALA CB C 20.419 0.300 1 473 57 57 ALA N N 121.667 0.300 1 474 58 58 PHE H H 8.915 0.020 1 475 58 58 PHE HA H 5.510 0.020 1 476 58 58 PHE HB2 H 3.053 0.020 2 477 58 58 PHE HB3 H 2.766 0.020 2 478 58 58 PHE HD1 H 7.128 0.020 1 479 58 58 PHE HD2 H 7.128 0.020 1 480 58 58 PHE HE1 H 7.402 0.020 1 481 58 58 PHE HE2 H 7.402 0.020 1 482 58 58 PHE HZ H 7.256 0.020 1 483 58 58 PHE CA C 54.745 0.300 1 484 58 58 PHE CB C 40.803 0.300 1 485 58 58 PHE N N 117.490 0.300 1 486 59 59 VAL H H 9.391 0.020 1 487 59 59 VAL HA H 5.153 0.020 1 488 59 59 VAL HB H 1.832 0.020 1 489 59 59 VAL HG1 H 0.835 0.020 2 490 59 59 VAL HG2 H 0.763 0.020 2 491 59 59 VAL CA C 58.154 0.300 1 492 59 59 VAL CB C 32.156 0.300 1 493 59 59 VAL CG1 C 20.374 0.300 1 494 59 59 VAL CG2 C 19.011 0.300 1 495 59 59 VAL N N 121.715 0.300 1 496 60 60 GLU H H 9.258 0.020 1 497 60 60 GLU HA H 4.926 0.020 1 498 60 60 GLU HB2 H 2.439 0.020 2 499 60 60 GLU HB3 H 2.363 0.020 2 500 60 60 GLU HG2 H 2.557 0.020 2 501 60 60 GLU HG3 H 2.294 0.020 2 502 60 60 GLU CA C 53.356 0.300 1 503 60 60 GLU CB C 29.712 0.300 1 504 60 60 GLU CG C 35.933 0.300 1 505 60 60 GLU N N 126.981 0.300 1 506 61 61 LEU H H 9.222 0.020 1 507 61 61 LEU HA H 5.351 0.020 1 508 61 61 LEU HB2 H 1.825 0.020 2 509 61 61 LEU HB3 H 1.728 0.020 2 510 61 61 LEU HG H 1.821 0.020 1 511 61 61 LEU HD1 H 0.828 0.020 2 512 61 61 LEU HD2 H 0.829 0.020 2 513 61 61 LEU CA C 50.634 0.300 1 514 61 61 LEU CB C 41.795 0.300 1 515 61 61 LEU CG C 24.165 0.300 1 516 61 61 LEU CD1 C 25.368 0.300 1 517 61 61 LEU CD2 C 22.152 0.300 1 518 61 61 LEU N N 124.236 0.300 1 519 62 62 GLY H H 8.248 0.020 1 520 62 62 GLY HA2 H 4.183 0.020 2 521 62 62 GLY HA3 H 3.767 0.020 2 522 62 62 GLY CA C 44.977 0.300 1 523 62 62 GLY N N 105.726 0.300 1 524 63 63 SER H H 8.177 0.020 1 525 63 63 SER HA H 3.963 0.020 1 526 63 63 SER HB2 H 3.958 0.020 1 527 63 63 SER HB3 H 3.958 0.020 1 528 63 63 SER CA C 54.758 0.300 1 529 63 63 SER CB C 64.557 0.300 1 530 63 63 SER N N 113.278 0.300 1 531 64 64 GLU H H 8.404 0.020 1 532 64 64 GLU HA H 3.726 0.020 1 533 64 64 GLU HB2 H 2.118 0.020 2 534 64 64 GLU HB3 H 1.984 0.020 2 535 64 64 GLU HG2 H 2.387 0.020 1 536 64 64 GLU HG3 H 2.387 0.020 1 537 64 64 GLU CA C 56.520 0.300 1 538 64 64 GLU CB C 26.739 0.300 1 539 64 64 GLU CG C 33.611 0.300 1 540 64 64 GLU N N 121.493 0.300 1 541 65 65 ASP H H 7.974 0.020 1 542 65 65 ASP HA H 4.396 0.020 1 543 65 65 ASP HB2 H 2.658 0.020 2 544 65 65 ASP HB3 H 2.530 0.020 2 545 65 65 ASP CA C 55.034 0.300 1 546 65 65 ASP CB C 37.644 0.300 1 547 65 65 ASP N N 119.352 0.300 1 548 66 66 ASP H H 7.560 0.020 1 549 66 66 ASP HA H 4.583 0.020 1 550 66 66 ASP HB2 H 3.119 0.020 2 551 66 66 ASP HB3 H 2.668 0.020 2 552 66 66 ASP CA C 55.389 0.300 1 553 66 66 ASP CB C 41.655 0.300 1 554 66 66 ASP N N 118.205 0.300 1 555 67 67 VAL H H 7.437 0.020 1 556 67 67 VAL HA H 3.394 0.020 1 557 67 67 VAL HB H 2.567 0.020 1 558 67 67 VAL HG1 H 1.231 0.020 2 559 67 67 VAL HG2 H 1.020 0.020 2 560 67 67 VAL CA C 64.316 0.300 1 561 67 67 VAL CB C 28.743 0.300 1 562 67 67 VAL CG1 C 21.024 0.300 1 563 67 67 VAL CG2 C 18.568 0.300 1 564 67 67 VAL N N 120.312 0.300 1 565 68 68 LYS H H 7.795 0.020 1 566 68 68 LYS HA H 3.933 0.020 1 567 68 68 LYS HB2 H 2.032 0.020 2 568 68 68 LYS HB3 H 1.964 0.020 2 569 68 68 LYS HG2 H 1.731 0.020 2 570 68 68 LYS HG3 H 1.494 0.020 2 571 68 68 LYS HD2 H 1.790 0.020 1 572 68 68 LYS HD3 H 1.790 0.020 1 573 68 68 LYS HE2 H 3.036 0.020 1 574 68 68 LYS HE3 H 3.036 0.020 1 575 68 68 LYS CA C 57.688 0.300 1 576 68 68 LYS CB C 29.748 0.300 1 577 68 68 LYS CG C 23.106 0.300 1 578 68 68 LYS CD C 26.906 0.300 1 579 68 68 LYS CE C 39.619 0.300 1 580 68 68 LYS N N 117.506 0.300 1 581 69 69 MET H H 7.804 0.020 1 582 69 69 MET HA H 4.209 0.020 1 583 69 69 MET HB2 H 2.295 0.020 2 584 69 69 MET HB3 H 2.036 0.020 2 585 69 69 MET HG2 H 2.679 0.020 2 586 69 69 MET HG3 H 2.656 0.020 2 587 69 69 MET HE H 2.114 0.020 1 588 69 69 MET CA C 55.313 0.300 1 589 69 69 MET CB C 30.007 0.300 1 590 69 69 MET CG C 30.003 0.300 1 591 69 69 MET CE C 14.728 0.300 1 592 69 69 MET N N 117.225 0.300 1 593 70 70 ALA H H 8.496 0.020 1 594 70 70 ALA HA H 3.870 0.020 1 595 70 70 ALA HB H 1.512 0.020 1 596 70 70 ALA CA C 52.603 0.300 1 597 70 70 ALA CB C 15.980 0.300 1 598 70 70 ALA N N 123.792 0.300 1 599 71 71 LEU H H 8.312 0.020 1 600 71 71 LEU HA H 3.896 0.020 1 601 71 71 LEU HB2 H 1.906 0.020 2 602 71 71 LEU HB3 H 1.618 0.020 2 603 71 71 LEU HG H 1.965 0.020 1 604 71 71 LEU HD1 H 0.969 0.020 2 605 71 71 LEU HD2 H 0.855 0.020 2 606 71 71 LEU CA C 54.990 0.300 1 607 71 71 LEU CB C 38.606 0.300 1 608 71 71 LEU CG C 24.580 0.300 1 609 71 71 LEU CD1 C 23.453 0.300 1 610 71 71 LEU CD2 C 20.083 0.300 1 611 71 71 LEU N N 116.245 0.300 1 612 72 72 LYS H H 7.345 0.020 1 613 72 72 LYS HA H 4.236 0.020 1 614 72 72 LYS HB2 H 2.015 0.020 1 615 72 72 LYS HB3 H 2.015 0.020 1 616 72 72 LYS HG2 H 1.791 0.020 2 617 72 72 LYS HG3 H 1.605 0.020 2 618 72 72 LYS HD2 H 1.791 0.020 1 619 72 72 LYS HD3 H 1.791 0.020 1 620 72 72 LYS HE2 H 3.059 0.020 1 621 72 72 LYS HE3 H 3.059 0.020 1 622 72 72 LYS CA C 55.433 0.300 1 623 72 72 LYS CB C 29.713 0.300 1 624 72 72 LYS CG C 22.716 0.300 1 625 72 72 LYS CD C 26.759 0.300 1 626 72 72 LYS CE C 39.647 0.300 1 627 72 72 LYS N N 118.015 0.300 1 628 73 73 LYS H H 7.734 0.020 1 629 73 73 LYS HA H 4.212 0.020 1 630 73 73 LYS HB2 H 1.877 0.020 1 631 73 73 LYS HB3 H 1.877 0.020 1 632 73 73 LYS HG2 H 1.381 0.020 2 633 73 73 LYS HG3 H 1.292 0.020 2 634 73 73 LYS HD2 H 1.587 0.020 1 635 73 73 LYS HD3 H 1.587 0.020 1 636 73 73 LYS HE2 H 2.946 0.020 1 637 73 73 LYS HE3 H 2.946 0.020 1 638 73 73 LYS CA C 52.487 0.300 1 639 73 73 LYS CB C 28.609 0.300 1 640 73 73 LYS CG C 22.591 0.300 1 641 73 73 LYS CD C 26.250 0.300 1 642 73 73 LYS CE C 39.634 0.300 1 643 73 73 LYS N N 117.911 0.300 1 644 74 74 ASP H H 7.263 0.020 1 645 74 74 ASP HA H 4.437 0.020 1 646 74 74 ASP HB2 H 2.949 0.020 2 647 74 74 ASP HB3 H 2.706 0.020 2 648 74 74 ASP CA C 54.671 0.300 1 649 74 74 ASP CB C 39.659 0.300 1 650 74 74 ASP N N 117.801 0.300 1 651 75 75 ARG H H 9.464 0.020 1 652 75 75 ARG HA H 3.667 0.020 1 653 75 75 ARG HB2 H 2.120 0.020 2 654 75 75 ARG HB3 H 2.079 0.020 2 655 75 75 ARG HG2 H 1.704 0.020 2 656 75 75 ARG HG3 H 1.506 0.020 2 657 75 75 ARG HD2 H 3.154 0.020 1 658 75 75 ARG HD3 H 3.154 0.020 1 659 75 75 ARG CA C 56.265 0.300 1 660 75 75 ARG CB C 24.566 0.300 1 661 75 75 ARG CG C 26.058 0.300 1 662 75 75 ARG CD C 40.619 0.300 1 663 75 75 ARG N N 121.676 0.300 1 664 76 76 GLU H H 8.309 0.020 1 665 76 76 GLU HA H 4.679 0.020 1 666 76 76 GLU HB2 H 2.413 0.020 1 667 76 76 GLU HB3 H 2.413 0.020 1 668 76 76 GLU HG2 H 2.457 0.020 2 669 76 76 GLU HG3 H 2.327 0.020 2 670 76 76 GLU CB C 27.355 0.300 1 671 76 76 GLU CG C 34.590 0.300 1 672 76 76 GLU N N 118.913 0.300 1 673 77 77 SER H H 8.454 0.020 1 674 77 77 SER HA H 5.149 0.020 1 675 77 77 SER HB2 H 3.665 0.020 2 676 77 77 SER HB3 H 3.618 0.020 2 677 77 77 SER CA C 55.620 0.300 1 678 77 77 SER CB C 63.010 0.300 1 679 77 77 SER N N 113.529 0.300 1 680 78 78 MET H H 8.605 0.020 1 681 78 78 MET HA H 4.507 0.020 1 682 78 78 MET HB2 H 1.829 0.020 2 683 78 78 MET HB3 H 1.718 0.020 2 684 78 78 MET HG2 H 2.486 0.020 2 685 78 78 MET HG3 H 2.218 0.020 2 686 78 78 MET CA C 52.780 0.300 1 687 78 78 MET CB C 32.485 0.300 1 688 78 78 MET CG C 28.818 0.300 1 689 78 78 MET N N 123.921 0.300 1 690 79 79 GLY H H 8.909 0.020 1 691 79 79 GLY N N 115.934 0.300 1 692 81 81 ARG H H 7.648 0.020 1 693 81 81 ARG HA H 4.512 0.020 1 694 81 81 ARG HB2 H 1.994 0.020 2 695 81 81 ARG HB3 H 1.804 0.020 2 696 81 81 ARG HG2 H 1.534 0.020 1 697 81 81 ARG HG3 H 1.534 0.020 1 698 81 81 ARG HD2 H 3.210 0.020 2 699 81 81 ARG HD3 H 3.166 0.020 2 700 81 81 ARG CA C 51.782 0.300 1 701 81 81 ARG CB C 29.242 0.300 1 702 81 81 ARG CG C 24.390 0.300 1 703 81 81 ARG CD C 40.319 0.300 1 704 81 81 ARG N N 119.528 0.300 1 705 82 82 TYR H H 8.182 0.020 1 706 82 82 TYR HA H 4.676 0.020 1 707 82 82 TYR HB2 H 2.866 0.020 2 708 82 82 TYR HB3 H 2.773 0.020 2 709 82 82 TYR HD1 H 7.135 0.020 1 710 82 82 TYR HD2 H 7.135 0.020 1 711 82 82 TYR HE1 H 6.862 0.020 1 712 82 82 TYR HE2 H 6.862 0.020 1 713 82 82 TYR CB C 36.389 0.300 1 714 82 82 TYR N N 121.029 0.300 1 715 83 83 ILE H H 8.561 0.020 1 716 83 83 ILE HA H 4.566 0.020 1 717 83 83 ILE HB H 2.022 0.020 1 718 83 83 ILE HG12 H 1.375 0.020 1 719 83 83 ILE HG13 H 1.375 0.020 1 720 83 83 ILE HG2 H 0.606 0.020 1 721 83 83 ILE HD1 H 0.300 0.020 1 722 83 83 ILE CA C 55.419 0.300 1 723 83 83 ILE CB C 34.340 0.300 1 724 83 83 ILE CG1 C 24.991 0.300 1 725 83 83 ILE CG2 C 15.228 0.300 1 726 83 83 ILE CD1 C 7.787 0.300 1 727 83 83 ILE N N 125.352 0.300 1 728 84 84 GLU H H 8.615 0.020 1 729 84 84 GLU HA H 4.839 0.020 1 730 84 84 GLU HB2 H 1.992 0.020 2 731 84 84 GLU HB3 H 1.922 0.020 2 732 84 84 GLU HG2 H 2.323 0.020 2 733 84 84 GLU HG3 H 2.190 0.020 2 734 84 84 GLU CA C 52.285 0.300 1 735 84 84 GLU CB C 30.805 0.300 1 736 84 84 GLU CG C 34.708 0.300 1 737 84 84 GLU N N 125.369 0.300 1 738 85 85 VAL H H 8.737 0.020 1 739 85 85 VAL HA H 4.832 0.020 1 740 85 85 VAL HB H 1.772 0.020 1 741 85 85 VAL HG1 H 0.809 0.020 2 742 85 85 VAL HG2 H 0.993 0.020 2 743 85 85 VAL CA C 58.560 0.300 1 744 85 85 VAL CB C 31.854 0.300 1 745 85 85 VAL CG1 C 18.413 0.300 1 746 85 85 VAL CG2 C 17.474 0.300 1 747 85 85 VAL N N 121.872 0.300 1 748 86 86 PHE H H 9.219 0.020 1 749 86 86 PHE HA H 4.957 0.020 1 750 86 86 PHE HB2 H 3.319 0.020 2 751 86 86 PHE HB3 H 2.803 0.020 2 752 86 86 PHE HD1 H 7.205 0.020 1 753 86 86 PHE HD2 H 7.205 0.020 1 754 86 86 PHE HE1 H 7.262 0.020 1 755 86 86 PHE HE2 H 7.262 0.020 1 756 86 86 PHE HZ H 7.126 0.020 1 757 86 86 PHE CA C 52.804 0.300 1 758 86 86 PHE CB C 39.988 0.300 1 759 86 86 PHE N N 122.200 0.300 1 760 87 87 LYS H H 9.227 0.020 1 761 87 87 LYS HA H 4.300 0.020 1 762 87 87 LYS HB2 H 2.120 0.020 2 763 87 87 LYS HB3 H 1.920 0.020 2 764 87 87 LYS HG2 H 1.779 0.020 2 765 87 87 LYS HG3 H 1.716 0.020 2 766 87 87 LYS HE2 H 3.235 0.020 1 767 87 87 LYS HE3 H 3.235 0.020 1 768 87 87 LYS CA C 56.171 0.300 1 769 87 87 LYS CB C 30.344 0.300 1 770 87 87 LYS CG C 23.529 0.300 1 771 87 87 LYS CD C 27.113 0.300 1 772 87 87 LYS CE C 39.521 0.300 1 773 87 87 LYS N N 123.427 0.300 1 774 88 88 SER H H 8.394 0.020 1 775 88 88 SER HA H 4.769 0.020 1 776 88 88 SER HB2 H 3.876 0.020 2 777 88 88 SER HB3 H 3.381 0.020 2 778 88 88 SER CA C 52.719 0.300 1 779 88 88 SER CB C 61.848 0.300 1 780 88 88 SER N N 121.799 0.300 1 781 89 89 HIS H H 9.624 0.020 1 782 89 89 HIS HA H 4.834 0.020 1 783 89 89 HIS HB2 H 3.544 0.020 2 784 89 89 HIS HB3 H 3.372 0.020 2 785 89 89 HIS CA C 53.387 0.300 1 786 89 89 HIS CB C 30.276 0.300 1 787 89 89 HIS N N 118.678 0.300 1 788 91 91 THR H H 9.214 0.020 1 789 91 91 THR HA H 4.107 0.020 1 790 91 91 THR HB H 4.311 0.020 1 791 91 91 THR HG2 H 1.350 0.020 1 792 91 91 THR CA C 63.968 0.300 1 793 91 91 THR CB C 65.854 0.300 1 794 91 91 THR CG2 C 19.642 0.300 1 795 91 91 THR N N 114.117 0.300 1 796 92 92 GLU H H 7.534 0.020 1 797 92 92 GLU HA H 4.163 0.020 1 798 92 92 GLU HB2 H 1.987 0.020 2 799 92 92 GLU HB3 H 1.898 0.020 2 800 92 92 GLU HG2 H 2.387 0.020 1 801 92 92 GLU HG3 H 2.387 0.020 1 802 92 92 GLU CA C 56.701 0.300 1 803 92 92 GLU CB C 26.637 0.300 1 804 92 92 GLU CG C 34.211 0.300 1 805 92 92 GLU N N 123.409 0.300 1 806 93 93 MET H H 7.503 0.020 1 807 93 93 MET HA H 3.853 0.020 1 808 93 93 MET HB2 H 1.985 0.020 2 809 93 93 MET HB3 H 1.268 0.020 2 810 93 93 MET HE H 1.786 0.020 1 811 93 93 MET CA C 57.759 0.300 1 812 93 93 MET CB C 31.657 0.300 1 813 93 93 MET CE C 14.769 0.300 1 814 93 93 MET N N 118.262 0.300 1 815 94 94 ASP H H 8.615 0.020 1 816 94 94 ASP HA H 4.235 0.020 1 817 94 94 ASP HB2 H 2.742 0.020 2 818 94 94 ASP HB3 H 2.612 0.020 2 819 94 94 ASP CA C 54.783 0.300 1 820 94 94 ASP CB C 38.247 0.300 1 821 94 94 ASP N N 116.773 0.300 1 822 95 95 TRP H H 7.840 0.020 1 823 95 95 TRP HA H 4.287 0.020 1 824 95 95 TRP HB2 H 3.560 0.020 2 825 95 95 TRP HB3 H 3.498 0.020 2 826 95 95 TRP HD1 H 7.212 0.020 1 827 95 95 TRP HE1 H 10.050 0.020 1 828 95 95 TRP HE3 H 7.593 0.020 1 829 95 95 TRP HZ3 H 7.136 0.020 1 830 95 95 TRP CA C 59.075 0.300 1 831 95 95 TRP CB C 26.702 0.300 1 832 95 95 TRP N N 119.013 0.300 1 833 95 95 TRP NE1 N 129.559 0.300 1 834 96 96 VAL H H 8.825 0.020 1 835 96 96 VAL HA H 3.713 0.020 1 836 96 96 VAL HB H 2.216 0.020 1 837 96 96 VAL HG1 H 1.489 0.020 2 838 96 96 VAL HG2 H 1.224 0.020 2 839 96 96 VAL CA C 64.296 0.300 1 840 96 96 VAL CB C 29.209 0.300 1 841 96 96 VAL CG1 C 21.159 0.300 1 842 96 96 VAL CG2 C 19.284 0.300 1 843 96 96 VAL N N 120.874 0.300 1 844 97 97 LEU H H 8.629 0.020 1 845 97 97 LEU HA H 4.148 0.020 1 846 97 97 LEU HB2 H 1.899 0.020 2 847 97 97 LEU HB3 H 1.519 0.020 2 848 97 97 LEU HG H 1.854 0.020 1 849 97 97 LEU HD1 H 1.015 0.020 2 850 97 97 LEU HD2 H 0.727 0.020 2 851 97 97 LEU CA C 55.393 0.300 1 852 97 97 LEU CB C 38.615 0.300 1 853 97 97 LEU CG C 24.299 0.300 1 854 97 97 LEU CD1 C 20.453 0.300 1 855 97 97 LEU CD2 C 23.537 0.300 1 856 97 97 LEU N N 120.256 0.300 1 857 98 98 LYS H H 7.591 0.020 1 858 98 98 LYS HA H 4.216 0.020 1 859 98 98 LYS HB2 H 1.703 0.020 2 860 98 98 LYS HB3 H 1.575 0.020 2 861 98 98 LYS HG2 H 1.394 0.020 2 862 98 98 LYS HG3 H 1.280 0.020 2 863 98 98 LYS HD2 H 1.586 0.020 1 864 98 98 LYS HD3 H 1.586 0.020 1 865 98 98 LYS HE2 H 2.943 0.020 1 866 98 98 LYS HE3 H 2.943 0.020 1 867 98 98 LYS CA C 54.822 0.300 1 868 98 98 LYS CB C 30.152 0.300 1 869 98 98 LYS CG C 22.901 0.300 1 870 98 98 LYS CD C 26.267 0.300 1 871 98 98 LYS CE C 39.500 0.300 1 872 98 98 LYS N N 116.595 0.300 1 873 99 99 HIS H H 7.567 0.020 1 874 99 99 HIS HA H 4.616 0.020 1 875 99 99 HIS HB2 H 3.281 0.020 2 876 99 99 HIS HB3 H 2.434 0.020 2 877 99 99 HIS HE1 H 6.912 0.020 1 878 99 99 HIS CA C 53.689 0.300 1 879 99 99 HIS CB C 25.583 0.300 1 880 99 99 HIS N N 116.300 0.300 1 881 100 100 SER H H 7.460 0.020 1 882 100 100 SER HA H 4.915 0.020 1 883 100 100 SER HB2 H 4.171 0.020 1 884 100 100 SER HB3 H 4.171 0.020 1 885 100 100 SER N N 113.351 0.300 1 886 101 101 GLY H H 8.141 0.020 1 887 101 101 GLY HA2 H 4.378 0.020 2 888 101 101 GLY HA3 H 3.861 0.020 2 889 101 101 GLY N N 108.344 0.300 1 890 103 103 ASN H H 8.414 0.020 1 891 103 103 ASN HA H 4.832 0.020 1 892 103 103 ASN HB2 H 2.951 0.020 2 893 103 103 ASN HB3 H 2.755 0.020 2 894 103 103 ASN N N 117.006 0.300 1 895 104 104 SER H H 7.846 0.020 1 896 104 104 SER HA H 4.394 0.020 1 897 104 104 SER HB2 H 3.885 0.020 1 898 104 104 SER HB3 H 3.885 0.020 1 899 104 104 SER N N 115.556 0.300 1 900 105 105 ALA H H 8.333 0.020 1 901 105 105 ALA HA H 4.415 0.020 1 902 105 105 ALA HB H 1.462 0.020 1 903 105 105 ALA CB C 16.552 0.300 1 904 105 105 ALA N N 125.823 0.300 1 905 106 106 ASP H H 8.284 0.020 1 906 106 106 ASP HB2 H 2.840 0.020 2 907 106 106 ASP HB3 H 2.719 0.020 2 908 106 106 ASP N N 119.433 0.300 1 909 107 107 SER H H 8.246 0.020 1 910 107 107 SER HA H 4.548 0.020 1 911 107 107 SER HB2 H 3.988 0.020 1 912 107 107 SER HB3 H 3.988 0.020 1 913 107 107 SER CA C 56.008 0.300 1 914 107 107 SER N N 116.066 0.300 1 915 108 108 ALA H H 8.345 0.020 1 916 108 108 ALA HA H 4.433 0.020 1 917 108 108 ALA HB H 1.530 0.020 1 918 108 108 ALA CA C 50.419 0.300 1 919 108 108 ALA CB C 16.583 0.300 1 920 108 108 ALA N N 125.417 0.300 1 921 109 109 ASN H H 8.403 0.020 1 922 109 109 ASN HA H 4.927 0.020 1 923 109 109 ASN HB2 H 3.009 0.020 2 924 109 109 ASN HB3 H 2.886 0.020 2 925 109 109 ASN HD21 H 7.684 0.020 2 926 109 109 ASN HD22 H 6.994 0.020 2 927 109 109 ASN CA C 50.800 0.300 1 928 109 109 ASN CB C 36.377 0.300 1 929 109 109 ASN N N 117.877 0.300 1 930 109 109 ASN ND2 N 112.652 0.300 1 931 110 110 ASP H H 8.232 0.020 1 932 110 110 ASP HA H 4.902 0.020 1 933 110 110 ASP HB2 H 2.943 0.020 1 934 110 110 ASP HB3 H 2.943 0.020 1 935 110 110 ASP N N 119.606 0.300 1 936 111 111 GLY H H 8.547 0.020 1 937 111 111 GLY HA2 H 3.784 0.020 1 938 111 111 GLY HA3 H 3.784 0.020 1 939 111 111 GLY CA C 43.231 0.300 1 940 111 111 GLY N N 107.239 0.300 1 941 112 112 PHE H H 8.539 0.020 1 942 112 112 PHE HA H 5.479 0.020 1 943 112 112 PHE HB2 H 2.917 0.020 2 944 112 112 PHE HB3 H 2.722 0.020 2 945 112 112 PHE HD1 H 7.165 0.020 1 946 112 112 PHE HD2 H 7.165 0.020 1 947 112 112 PHE HE1 H 7.346 0.020 1 948 112 112 PHE HE2 H 7.346 0.020 1 949 112 112 PHE HZ H 7.204 0.020 1 950 112 112 PHE CA C 56.776 0.300 1 951 112 112 PHE CB C 39.364 0.300 1 952 112 112 PHE N N 119.214 0.300 1 953 113 113 VAL H H 9.411 0.020 1 954 113 113 VAL HA H 5.009 0.020 1 955 113 113 VAL HB H 2.351 0.020 1 956 113 113 VAL HG1 H 1.027 0.020 2 957 113 113 VAL HG2 H 1.028 0.020 2 958 113 113 VAL CA C 57.790 0.300 1 959 113 113 VAL CG1 C 19.500 0.300 1 960 113 113 VAL CG2 C 19.071 0.300 1 961 113 113 VAL N N 117.251 0.300 1 962 114 114 ARG H H 9.560 0.020 1 963 114 114 ARG HA H 5.367 0.020 1 964 114 114 ARG HB2 H 1.786 0.020 1 965 114 114 ARG HB3 H 1.786 0.020 1 966 114 114 ARG HG2 H 1.318 0.020 2 967 114 114 ARG HG3 H 1.108 0.020 2 968 114 114 ARG CA C 51.306 0.300 1 969 114 114 ARG CB C 32.307 0.300 1 970 114 114 ARG CG C 24.441 0.300 1 971 114 114 ARG N N 124.098 0.300 1 972 115 115 LEU H H 9.187 0.020 1 973 115 115 LEU HA H 5.845 0.020 1 974 115 115 LEU HB2 H 1.533 0.020 2 975 115 115 LEU HB3 H 1.427 0.020 2 976 115 115 LEU HG H 1.807 0.020 1 977 115 115 LEU HD1 H 1.002 0.020 2 978 115 115 LEU HD2 H 0.966 0.020 2 979 115 115 LEU CA C 50.282 0.300 1 980 115 115 LEU CB C 42.049 0.300 1 981 115 115 LEU CG C 25.946 0.300 1 982 115 115 LEU CD1 C 23.387 0.300 1 983 115 115 LEU CD2 C 23.287 0.300 1 984 115 115 LEU N N 124.256 0.300 1 985 116 116 ARG H H 8.893 0.020 1 986 116 116 ARG HA H 4.968 0.020 1 987 116 116 ARG HB2 H 2.077 0.020 2 988 116 116 ARG HB3 H 1.923 0.020 2 989 116 116 ARG HG2 H 1.793 0.020 1 990 116 116 ARG HG3 H 1.793 0.020 1 991 116 116 ARG HD2 H 3.300 0.020 1 992 116 116 ARG HD3 H 3.300 0.020 1 993 116 116 ARG CA C 53.216 0.300 1 994 116 116 ARG CB C 32.192 0.300 1 995 116 116 ARG N N 118.636 0.300 1 996 117 117 GLY H H 8.091 0.020 1 997 117 117 GLY HA2 H 4.675 0.020 2 998 117 117 GLY HA3 H 3.914 0.020 2 999 117 117 GLY CA C 42.383 0.300 1 1000 117 117 GLY N N 110.950 0.300 1 1001 118 118 LEU H H 8.220 0.020 1 1002 118 118 LEU HA H 3.963 0.020 1 1003 118 118 LEU HB2 H 1.367 0.020 2 1004 118 118 LEU HB3 H 1.224 0.020 2 1005 118 118 LEU HG H 1.480 0.020 1 1006 118 118 LEU HD1 H 0.629 0.020 2 1007 118 118 LEU HD2 H 0.679 0.020 2 1008 118 118 LEU CB C 38.200 0.300 1 1009 118 118 LEU CD1 C 23.993 0.300 1 1010 118 118 LEU CD2 C 20.680 0.300 1 1011 118 118 LEU N N 118.273 0.300 1 1012 119 119 PRO HA H 4.432 0.020 1 1013 119 119 PRO HB2 H 2.194 0.020 2 1014 119 119 PRO HB3 H 2.052 0.020 2 1015 119 119 PRO HG2 H 1.996 0.020 2 1016 119 119 PRO HD2 H 3.516 0.020 2 1017 119 119 PRO HD3 H 3.337 0.020 2 1018 119 119 PRO CB C 29.455 0.300 1 1019 119 119 PRO CD C 47.335 0.300 1 1020 120 120 PHE H H 8.347 0.020 1 1021 120 120 PHE HA H 4.301 0.020 1 1022 120 120 PHE HB2 H 3.153 0.020 2 1023 120 120 PHE HB3 H 3.122 0.020 2 1024 120 120 PHE HD1 H 7.353 0.020 1 1025 120 120 PHE HD2 H 7.353 0.020 1 1026 120 120 PHE HE1 H 7.460 0.020 1 1027 120 120 PHE HE2 H 7.460 0.020 1 1028 120 120 PHE CA C 57.191 0.300 1 1029 120 120 PHE CB C 35.908 0.300 1 1030 120 120 PHE N N 120.699 0.300 1 1031 121 121 GLY H H 8.298 0.020 1 1032 121 121 GLY HA2 H 3.983 0.020 2 1033 121 121 GLY HA3 H 3.674 0.020 2 1034 121 121 GLY CA C 42.414 0.300 1 1035 121 121 GLY N N 112.702 0.300 1 1036 122 122 CYS H H 7.483 0.020 1 1037 122 122 CYS HA H 4.341 0.020 1 1038 122 122 CYS HB2 H 2.944 0.020 2 1039 122 122 CYS HB3 H 2.665 0.020 2 1040 122 122 CYS CB C 24.618 0.300 1 1041 122 122 CYS N N 120.181 0.300 1 1042 123 123 THR H H 8.273 0.020 1 1043 123 123 THR HA H 4.809 0.020 1 1044 123 123 THR HG2 H 1.412 0.020 1 1045 123 123 THR CG2 C 19.165 0.300 1 1046 123 123 THR N N 117.226 0.300 1 1047 124 124 LYS H H 8.980 0.020 1 1048 124 124 LYS HA H 3.903 0.020 1 1049 124 124 LYS HB2 H 1.911 0.020 1 1050 124 124 LYS HB3 H 1.911 0.020 1 1051 124 124 LYS HG2 H 1.760 0.020 2 1052 124 124 LYS HG3 H 1.284 0.020 2 1053 124 124 LYS HD2 H 1.850 0.020 1 1054 124 124 LYS HD3 H 1.850 0.020 1 1055 124 124 LYS HE2 H 3.145 0.020 2 1056 124 124 LYS HE3 H 3.034 0.020 2 1057 124 124 LYS CA C 58.405 0.300 1 1058 124 124 LYS CD C 27.307 0.300 1 1059 124 124 LYS CE C 39.849 0.300 1 1060 124 124 LYS N N 119.584 0.300 1 1061 125 125 GLU H H 8.776 0.020 1 1062 125 125 GLU HA H 3.978 0.020 1 1063 125 125 GLU HB2 H 2.178 0.020 2 1064 125 125 GLU HB3 H 1.979 0.020 2 1065 125 125 GLU HG2 H 2.549 0.020 2 1066 125 125 GLU HG3 H 2.333 0.020 2 1067 125 125 GLU CG C 34.556 0.300 1 1068 125 125 GLU N N 118.190 0.300 1 1069 126 126 GLU H H 7.765 0.020 1 1070 126 126 GLU HA H 4.033 0.020 1 1071 126 126 GLU HB2 H 2.457 0.020 2 1072 126 126 GLU HB3 H 1.960 0.020 2 1073 126 126 GLU HG2 H 2.335 0.020 1 1074 126 126 GLU HG3 H 2.335 0.020 1 1075 126 126 GLU CB C 27.517 0.300 1 1076 126 126 GLU N N 119.054 0.300 1 1077 127 127 ILE H H 7.465 0.020 1 1078 127 127 ILE HA H 3.569 0.020 1 1079 127 127 ILE HB H 2.235 0.020 1 1080 127 127 ILE HG12 H 1.655 0.020 2 1081 127 127 ILE HG13 H 0.686 0.020 2 1082 127 127 ILE HG2 H 1.013 0.020 1 1083 127 127 ILE HD1 H 0.686 0.020 1 1084 127 127 ILE CA C 62.669 0.300 1 1085 127 127 ILE CG1 C 26.501 0.300 1 1086 127 127 ILE CG2 C 15.615 0.300 1 1087 127 127 ILE CD1 C 11.146 0.300 1 1088 127 127 ILE N N 121.962 0.300 1 1089 128 128 VAL H H 8.171 0.020 1 1090 128 128 VAL HA H 3.659 0.020 1 1091 128 128 VAL HB H 2.280 0.020 1 1092 128 128 VAL HG1 H 1.114 0.020 2 1093 128 128 VAL HG2 H 1.031 0.020 2 1094 128 128 VAL CA C 64.676 0.300 1 1095 128 128 VAL CG1 C 20.484 0.300 1 1096 128 128 VAL CG2 C 18.258 0.300 1 1097 128 128 VAL N N 120.842 0.300 1 1098 129 129 GLN H H 7.759 0.020 1 1099 129 129 GLN HA H 4.131 0.020 1 1100 129 129 GLN HB2 H 2.210 0.020 1 1101 129 129 GLN HB3 H 2.210 0.020 1 1102 129 129 GLN HG2 H 2.566 0.020 1 1103 129 129 GLN HG3 H 2.566 0.020 1 1104 129 129 GLN HE21 H 7.524 0.020 2 1105 129 129 GLN HE22 H 6.870 0.020 2 1106 129 129 GLN CA C 55.502 0.300 1 1107 129 129 GLN CG C 31.035 0.300 1 1108 129 129 GLN N N 116.048 0.300 1 1109 129 129 GLN NE2 N 111.715 0.300 1 1110 130 130 PHE H H 8.095 0.020 1 1111 130 130 PHE HA H 4.241 0.020 1 1112 130 130 PHE HB2 H 3.062 0.020 1 1113 130 130 PHE HB3 H 3.062 0.020 1 1114 130 130 PHE HD1 H 6.223 0.020 1 1115 130 130 PHE HD2 H 6.223 0.020 1 1116 130 130 PHE HE1 H 6.656 0.020 1 1117 130 130 PHE HE2 H 6.656 0.020 1 1118 130 130 PHE HZ H 6.987 0.020 1 1119 130 130 PHE CA C 58.296 0.300 1 1120 130 130 PHE CB C 36.662 0.300 1 1121 130 130 PHE N N 124.120 0.300 1 1122 131 131 PHE H H 7.497 0.020 1 1123 131 131 PHE HA H 4.931 0.020 1 1124 131 131 PHE HB2 H 4.049 0.020 2 1125 131 131 PHE HB3 H 2.979 0.020 2 1126 131 131 PHE HD1 H 7.444 0.020 1 1127 131 131 PHE HD2 H 7.444 0.020 1 1128 131 131 PHE HE1 H 7.527 0.020 1 1129 131 131 PHE HE2 H 7.527 0.020 1 1130 131 131 PHE HZ H 7.371 0.020 1 1131 131 131 PHE CB C 35.916 0.300 1 1132 131 131 PHE N N 114.986 0.300 1 1133 132 132 SER H H 7.154 0.020 1 1134 132 132 SER HA H 4.228 0.020 1 1135 132 132 SER HB2 H 4.177 0.020 2 1136 132 132 SER HB3 H 3.945 0.020 2 1137 132 132 SER CA C 58.158 0.300 1 1138 132 132 SER CB C 60.687 0.300 1 1139 132 132 SER N N 113.812 0.300 1 1140 133 133 GLY H H 8.906 0.020 1 1141 133 133 GLY HA2 H 4.366 0.020 2 1142 133 133 GLY HA3 H 3.758 0.020 2 1143 133 133 GLY CA C 42.459 0.300 1 1144 133 133 GLY N N 114.131 0.300 1 1145 134 134 LEU H H 8.335 0.020 1 1146 134 134 LEU HA H 4.712 0.020 1 1147 134 134 LEU HB2 H 2.340 0.020 2 1148 134 134 LEU HB3 H 1.225 0.020 2 1149 134 134 LEU HG H 1.595 0.020 1 1150 134 134 LEU HD1 H 0.739 0.020 2 1151 134 134 LEU HD2 H 0.785 0.020 2 1152 134 134 LEU CB C 40.788 0.300 1 1153 134 134 LEU CD1 C 22.976 0.300 1 1154 134 134 LEU CD2 C 21.500 0.300 1 1155 134 134 LEU N N 121.783 0.300 1 1156 135 135 GLU H H 7.562 0.020 1 1157 135 135 GLU HA H 4.198 0.020 1 1158 135 135 GLU HB2 H 2.029 0.020 1 1159 135 135 GLU HB3 H 2.029 0.020 1 1160 135 135 GLU HG2 H 2.289 0.020 2 1161 135 135 GLU HG3 H 2.034 0.020 2 1162 135 135 GLU CA C 55.812 0.300 1 1163 135 135 GLU CG C 33.434 0.300 1 1164 135 135 GLU N N 123.374 0.300 1 1165 136 136 ILE H H 8.327 0.020 1 1166 136 136 ILE HA H 4.008 0.020 1 1167 136 136 ILE HB H 1.545 0.020 1 1168 136 136 ILE HG12 H 1.831 0.020 2 1169 136 136 ILE HG13 H -0.014 0.020 2 1170 136 136 ILE HG2 H 0.833 0.020 1 1171 136 136 ILE HD1 H 0.879 0.020 1 1172 136 136 ILE CA C 58.260 0.300 1 1173 136 136 ILE CB C 37.316 0.300 1 1174 136 136 ILE CG1 C 26.049 0.300 1 1175 136 136 ILE CG2 C 13.463 0.300 1 1176 136 136 ILE CD1 C 12.401 0.300 1 1177 136 136 ILE N N 130.667 0.300 1 1178 137 137 VAL H H 7.794 0.020 1 1179 137 137 VAL HA H 4.333 0.020 1 1180 137 137 VAL HB H 2.155 0.020 1 1181 137 137 VAL HG1 H 0.824 0.020 2 1182 137 137 VAL HG2 H 0.674 0.020 2 1183 137 137 VAL CA C 58.669 0.300 1 1184 137 137 VAL CG1 C 18.206 0.300 1 1185 137 137 VAL CG2 C 16.376 0.300 1 1186 137 137 VAL N N 122.985 0.300 1 1187 138 138 PRO HA H 4.333 0.020 1 1188 138 138 PRO HB2 H 2.324 0.020 2 1189 138 138 PRO HB3 H 1.828 0.020 2 1190 138 138 PRO HG2 H 2.165 0.020 2 1191 138 138 PRO HG3 H 2.033 0.020 2 1192 138 138 PRO HD2 H 3.946 0.020 2 1193 138 138 PRO HD3 H 3.607 0.020 2 1194 138 138 PRO CA C 61.460 0.300 1 1195 138 138 PRO CD C 47.867 0.300 1 1196 139 139 ASN H H 9.019 0.020 1 1197 139 139 ASN HA H 4.575 0.020 1 1198 139 139 ASN HB2 H 3.125 0.020 2 1199 139 139 ASN HB3 H 2.893 0.020 2 1200 139 139 ASN HD21 H 7.617 0.020 2 1201 139 139 ASN HD22 H 6.954 0.020 2 1202 139 139 ASN CA C 51.978 0.300 1 1203 139 139 ASN CB C 34.879 0.300 1 1204 139 139 ASN N N 118.073 0.300 1 1205 139 139 ASN ND2 N 113.571 0.300 1 1206 140 140 GLY H H 8.129 0.020 1 1207 140 140 GLY HA2 H 4.160 0.020 2 1208 140 140 GLY HA3 H 3.639 0.020 2 1209 140 140 GLY CA C 44.086 0.300 1 1210 140 140 GLY N N 104.678 0.300 1 1211 141 141 ILE H H 7.801 0.020 1 1212 141 141 ILE HA H 4.996 0.020 1 1213 141 141 ILE HB H 1.778 0.020 1 1214 141 141 ILE HG12 H 1.727 0.020 1 1215 141 141 ILE HG13 H 1.727 0.020 1 1216 141 141 ILE HG2 H 0.883 0.020 1 1217 141 141 ILE HD1 H 0.994 0.020 1 1218 141 141 ILE CB C 37.311 0.300 1 1219 141 141 ILE CG2 C 15.543 0.300 1 1220 141 141 ILE CD1 C 12.424 0.300 1 1221 141 141 ILE N N 119.927 0.300 1 1222 142 142 THR H H 9.447 0.020 1 1223 142 142 THR HA H 4.564 0.020 1 1224 142 142 THR HB H 4.249 0.020 1 1225 142 142 THR HG2 H 1.273 0.020 1 1226 142 142 THR CA C 59.858 0.300 1 1227 142 142 THR CB C 67.843 0.300 1 1228 142 142 THR N N 125.915 0.300 1 1229 143 143 LEU H H 8.954 0.020 1 1230 143 143 LEU HA H 5.176 0.020 1 1231 143 143 LEU HB2 H 1.805 0.020 2 1232 143 143 LEU HB3 H 1.499 0.020 2 1233 143 143 LEU HG H 1.562 0.020 1 1234 143 143 LEU HD1 H 0.864 0.020 2 1235 143 143 LEU CA C 49.124 0.300 1 1236 143 143 LEU CB C 40.466 0.300 1 1237 143 143 LEU N N 130.154 0.300 1 1238 144 144 PRO HA H 4.535 0.020 1 1239 144 144 PRO HB2 H 2.396 0.020 1 1240 144 144 PRO HB3 H 2.396 0.020 1 1241 144 144 PRO HG2 H 2.052 0.020 2 1242 144 144 PRO HG3 H 1.865 0.020 2 1243 144 144 PRO HD2 H 4.099 0.020 2 1244 144 144 PRO HD3 H 3.765 0.020 2 1245 144 144 PRO CA C 60.539 0.300 1 1246 144 144 PRO CB C 30.153 0.300 1 1247 144 144 PRO CG C 24.902 0.300 1 1248 144 144 PRO CD C 48.439 0.300 1 1249 145 145 VAL H H 8.134 0.020 1 1250 145 145 VAL HA H 4.957 0.020 1 1251 145 145 VAL HB H 1.989 0.020 1 1252 145 145 VAL HG1 H 0.949 0.020 2 1253 145 145 VAL HG2 H 1.017 0.020 2 1254 145 145 VAL CA C 57.040 0.300 1 1255 145 145 VAL CB C 32.531 0.300 1 1256 145 145 VAL CG1 C 18.842 0.300 1 1257 145 145 VAL CG2 C 16.416 0.300 1 1258 145 145 VAL N N 115.071 0.300 1 1259 146 146 ASP H H 8.930 0.020 1 1260 146 146 ASP HA H 4.881 0.020 1 1261 146 146 ASP HB2 H 3.333 0.020 2 1262 146 146 ASP HB3 H 2.704 0.020 2 1263 146 146 ASP CA C 49.823 0.300 1 1264 146 146 ASP CB C 38.240 0.300 1 1265 146 146 ASP N N 125.288 0.300 1 1266 147 147 PRO HA H 4.441 0.020 1 1267 147 147 PRO HB2 H 2.526 0.020 2 1268 147 147 PRO HB3 H 1.992 0.020 2 1269 147 147 PRO HG2 H 2.200 0.020 1 1270 147 147 PRO HG3 H 2.200 0.020 1 1271 147 147 PRO HD2 H 3.994 0.020 2 1272 147 147 PRO HD3 H 3.808 0.020 2 1273 147 147 PRO CA C 62.898 0.300 1 1274 147 147 PRO CB C 29.525 0.300 1 1275 147 147 PRO CG C 25.549 0.300 1 1276 147 147 PRO CD C 48.891 0.300 1 1277 148 148 GLU H H 8.204 0.020 1 1278 148 148 GLU HA H 4.458 0.020 1 1279 148 148 GLU HB3 H 2.163 0.020 2 1280 148 148 GLU HG2 H 2.324 0.020 1 1281 148 148 GLU HG3 H 2.324 0.020 1 1282 148 148 GLU N N 115.470 0.300 1 1283 149 149 GLY H H 8.516 0.020 1 1284 149 149 GLY HA2 H 4.248 0.020 2 1285 149 149 GLY HA3 H 3.684 0.020 2 1286 149 149 GLY CA C 43.072 0.300 1 1287 149 149 GLY N N 109.019 0.300 1 1288 150 150 LYS H H 8.330 0.020 1 1289 150 150 LYS HA H 4.536 0.020 1 1290 150 150 LYS HB2 H 2.012 0.020 2 1291 150 150 LYS HB3 H 1.857 0.020 2 1292 150 150 LYS HG2 H 1.476 0.020 1 1293 150 150 LYS HG3 H 1.476 0.020 1 1294 150 150 LYS HD2 H 1.706 0.020 1 1295 150 150 LYS HD3 H 1.706 0.020 1 1296 150 150 LYS HE2 H 2.986 0.020 1 1297 150 150 LYS HE3 H 2.986 0.020 1 1298 150 150 LYS CB C 30.261 0.300 1 1299 150 150 LYS CG C 22.469 0.300 1 1300 150 150 LYS N N 122.049 0.300 1 1301 151 151 ILE H H 8.198 0.020 1 1302 151 151 ILE HA H 4.603 0.020 1 1303 151 151 ILE HB H 2.443 0.020 1 1304 151 151 ILE HG12 H 1.549 0.020 2 1305 151 151 ILE HG13 H 1.380 0.020 2 1306 151 151 ILE HG2 H 1.072 0.020 1 1307 151 151 ILE HD1 H 0.897 0.020 1 1308 151 151 ILE CA C 59.474 0.300 1 1309 151 151 ILE CG1 C 23.947 0.300 1 1310 151 151 ILE CG2 C 15.444 0.300 1 1311 151 151 ILE CD1 C 11.598 0.300 1 1312 151 151 ILE N N 114.300 0.300 1 1313 152 152 THR H H 8.202 0.020 1 1314 152 152 THR HA H 4.490 0.020 1 1315 152 152 THR HB H 4.519 0.020 1 1316 152 152 THR HG2 H 1.297 0.020 1 1317 152 152 THR CA C 60.039 0.300 1 1318 152 152 THR CB C 67.276 0.300 1 1319 152 152 THR CG2 C 19.531 0.300 1 1320 152 152 THR N N 113.965 0.300 1 1321 153 153 GLY H H 8.385 0.020 1 1322 153 153 GLY HA2 H 4.546 0.020 2 1323 153 153 GLY HA3 H 3.689 0.020 2 1324 153 153 GLY N N 109.994 0.300 1 1325 154 154 GLU H H 7.520 0.020 1 1326 154 154 GLU HA H 5.375 0.020 1 1327 154 154 GLU HB2 H 1.959 0.020 2 1328 154 154 GLU HB3 H 1.801 0.020 2 1329 154 154 GLU HG2 H 2.310 0.020 2 1330 154 154 GLU HG3 H 2.203 0.020 2 1331 154 154 GLU CG C 34.919 0.300 1 1332 154 154 GLU N N 118.288 0.300 1 1333 155 155 ALA H H 8.116 0.020 1 1334 155 155 ALA HA H 5.001 0.020 1 1335 155 155 ALA HB H 1.303 0.020 1 1336 155 155 ALA CA C 48.516 0.300 1 1337 155 155 ALA CB C 21.335 0.300 1 1338 155 155 ALA N N 118.012 0.300 1 1339 156 156 PHE H H 8.920 0.020 1 1340 156 156 PHE HA H 5.684 0.020 1 1341 156 156 PHE HB2 H 3.155 0.020 2 1342 156 156 PHE HB3 H 2.958 0.020 2 1343 156 156 PHE HD1 H 7.098 0.020 1 1344 156 156 PHE HD2 H 7.098 0.020 1 1345 156 156 PHE HE1 H 7.134 0.020 1 1346 156 156 PHE HE2 H 7.134 0.020 1 1347 156 156 PHE CA C 54.278 0.300 1 1348 156 156 PHE N N 117.425 0.300 1 1349 157 157 VAL H H 9.186 0.020 1 1350 157 157 VAL HA H 4.802 0.020 1 1351 157 157 VAL HB H 1.648 0.020 1 1352 157 157 VAL HG1 H 0.892 0.020 2 1353 157 157 VAL HG2 H 0.057 0.020 2 1354 157 157 VAL CB C 32.365 0.300 1 1355 157 157 VAL CG1 C 19.558 0.300 1 1356 157 157 VAL CG2 C 19.994 0.300 1 1357 157 157 VAL N N 122.967 0.300 1 1358 158 158 GLN H H 8.435 0.020 1 1359 158 158 GLN HA H 4.146 0.020 1 1360 158 158 GLN HB2 H 1.774 0.020 2 1361 158 158 GLN HB3 H 0.995 0.020 2 1362 158 158 GLN HG2 H 1.835 0.020 2 1363 158 158 GLN HG3 H 1.062 0.020 2 1364 158 158 GLN HE21 H 7.452 0.020 2 1365 158 158 GLN HE22 H 6.667 0.020 2 1366 158 158 GLN CA C 51.162 0.300 1 1367 158 158 GLN CB C 26.273 0.300 1 1368 158 158 GLN CG C 30.104 0.300 1 1369 158 158 GLN N N 127.521 0.300 1 1370 158 158 GLN NE2 N 109.777 0.300 1 1371 159 159 PHE H H 8.615 0.020 1 1372 159 159 PHE HA H 4.783 0.020 1 1373 159 159 PHE HB2 H 3.230 0.020 2 1374 159 159 PHE HB3 H 2.899 0.020 2 1375 159 159 PHE HD1 H 7.044 0.020 1 1376 159 159 PHE HD2 H 7.044 0.020 1 1377 159 159 PHE HE1 H 6.638 0.020 1 1378 159 159 PHE HE2 H 6.638 0.020 1 1379 159 159 PHE HZ H 7.443 0.020 1 1380 159 159 PHE N N 123.941 0.300 1 1381 160 160 ALA H H 8.324 0.020 1 1382 160 160 ALA HA H 3.942 0.020 1 1383 160 160 ALA HB H 1.376 0.020 1 1384 160 160 ALA CA C 51.348 0.300 1 1385 160 160 ALA CB C 16.056 0.300 1 1386 160 160 ALA N N 118.369 0.300 1 1387 161 161 SER H H 7.333 0.020 1 1388 161 161 SER HA H 4.829 0.020 1 1389 161 161 SER HB2 H 4.364 0.020 2 1390 161 161 SER HB3 H 4.043 0.020 2 1391 161 161 SER CB C 64.156 0.300 1 1392 161 161 SER N N 107.836 0.300 1 1393 162 162 GLN H H 9.130 0.020 1 1394 162 162 GLN HA H 4.120 0.020 1 1395 162 162 GLN HB2 H 2.235 0.020 2 1396 162 162 GLN HB3 H 2.130 0.020 2 1397 162 162 GLN HG2 H 2.553 0.020 1 1398 162 162 GLN HG3 H 2.553 0.020 1 1399 162 162 GLN HE21 H 7.750 0.020 2 1400 162 162 GLN HE22 H 6.963 0.020 2 1401 162 162 GLN CA C 55.926 0.300 1 1402 162 162 GLN CG C 31.124 0.300 1 1403 162 162 GLN N N 122.228 0.300 1 1404 162 162 GLN NE2 N 111.671 0.300 1 1405 163 163 GLU H H 8.664 0.020 1 1406 163 163 GLU HA H 4.072 0.020 1 1407 163 163 GLU HB2 H 2.143 0.020 2 1408 163 163 GLU HB3 H 1.974 0.020 2 1409 163 163 GLU HG2 H 2.331 0.020 1 1410 163 163 GLU HG3 H 2.331 0.020 1 1411 163 163 GLU CA C 57.301 0.300 1 1412 163 163 GLU CB C 26.454 0.300 1 1413 163 163 GLU CG C 34.648 0.300 1 1414 163 163 GLU N N 120.122 0.300 1 1415 164 164 LEU H H 7.655 0.020 1 1416 164 164 LEU HA H 3.917 0.020 1 1417 164 164 LEU HB2 H 2.020 0.020 2 1418 164 164 LEU HB3 H 1.243 0.020 2 1419 164 164 LEU HG H 1.774 0.020 1 1420 164 164 LEU HD1 H 1.308 0.020 2 1421 164 164 LEU HD2 H 1.059 0.020 2 1422 164 164 LEU CB C 39.980 0.300 1 1423 164 164 LEU CD2 C 21.431 0.300 1 1424 164 164 LEU N N 119.914 0.300 1 1425 165 165 ALA H H 7.312 0.020 1 1426 165 165 ALA HA H 3.427 0.020 1 1427 165 165 ALA HB H 1.494 0.020 1 1428 165 165 ALA CA C 52.059 0.300 1 1429 165 165 ALA CB C 15.268 0.300 1 1430 165 165 ALA N N 120.867 0.300 1 1431 166 166 GLU H H 8.029 0.020 1 1432 166 166 GLU HA H 3.982 0.020 1 1433 166 166 GLU CA C 56.593 0.300 1 1434 166 166 GLU N N 115.765 0.300 1 1435 167 167 LYS H H 7.640 0.020 1 1436 167 167 LYS HA H 4.041 0.020 1 1437 167 167 LYS HB2 H 1.982 0.020 2 1438 167 167 LYS HB3 H 1.833 0.020 2 1439 167 167 LYS HG2 H 1.675 0.020 2 1440 167 167 LYS HG3 H 1.483 0.020 2 1441 167 167 LYS HD2 H 1.684 0.020 1 1442 167 167 LYS HD3 H 1.684 0.020 1 1443 167 167 LYS HE2 H 2.978 0.020 1 1444 167 167 LYS HE3 H 2.978 0.020 1 1445 167 167 LYS CA C 56.578 0.300 1 1446 167 167 LYS CB C 29.632 0.300 1 1447 167 167 LYS CG C 22.929 0.300 1 1448 167 167 LYS CD C 26.463 0.300 1 1449 167 167 LYS CE C 39.477 0.300 1 1450 167 167 LYS N N 120.428 0.300 1 1451 168 168 ALA H H 8.004 0.020 1 1452 168 168 ALA HA H 3.751 0.020 1 1453 168 168 ALA HB H 0.881 0.020 1 1454 168 168 ALA CA C 52.322 0.300 1 1455 168 168 ALA CB C 16.875 0.300 1 1456 168 168 ALA N N 124.288 0.300 1 1457 169 169 LEU H H 7.386 0.020 1 1458 169 169 LEU HA H 3.982 0.020 1 1459 169 169 LEU HB2 H 1.956 0.020 2 1460 169 169 LEU HB3 H 1.651 0.020 2 1461 169 169 LEU HG H 2.094 0.020 1 1462 169 169 LEU HD1 H 1.048 0.020 2 1463 169 169 LEU HD2 H 0.858 0.020 2 1464 169 169 LEU CB C 38.187 0.300 1 1465 169 169 LEU CG C 23.778 0.300 1 1466 169 169 LEU CD1 C 23.189 0.300 1 1467 169 169 LEU CD2 C 20.411 0.300 1 1468 169 169 LEU N N 114.751 0.300 1 1469 170 170 GLY H H 7.875 0.020 1 1470 170 170 GLY HA2 H 4.278 0.020 2 1471 170 170 GLY HA3 H 3.943 0.020 2 1472 170 170 GLY CA C 43.184 0.300 1 1473 170 170 GLY N N 105.450 0.300 1 1474 171 171 LYS H H 7.891 0.020 1 1475 171 171 LYS HA H 4.331 0.020 1 1476 171 171 LYS HB2 H 1.879 0.020 1 1477 171 171 LYS HB3 H 1.879 0.020 1 1478 171 171 LYS HG2 H 1.373 0.020 1 1479 171 171 LYS HG3 H 1.373 0.020 1 1480 171 171 LYS HD2 H 1.379 0.020 1 1481 171 171 LYS HD3 H 1.379 0.020 1 1482 171 171 LYS HE2 H 2.726 0.020 2 1483 171 171 LYS HE3 H 2.607 0.020 2 1484 171 171 LYS CA C 52.465 0.300 1 1485 171 171 LYS CG C 21.881 0.300 1 1486 171 171 LYS CD C 25.240 0.300 1 1487 171 171 LYS CE C 39.282 0.300 1 1488 171 171 LYS N N 119.909 0.300 1 1489 172 172 HIS H H 7.466 0.020 1 1490 172 172 HIS HA H 4.595 0.020 1 1491 172 172 HIS HB2 H 3.235 0.020 1 1492 172 172 HIS HB3 H 3.235 0.020 1 1493 172 172 HIS N N 118.209 0.300 1 1494 174 174 GLU HA H 4.655 0.020 1 1495 174 174 GLU HB2 H 2.315 0.020 1 1496 174 174 GLU HB3 H 2.315 0.020 1 1497 174 174 GLU N N 119.200 0.300 1 1498 175 175 ARG H H 8.221 0.020 1 1499 175 175 ARG HA H 5.244 0.020 1 1500 175 175 ARG HB2 H 1.539 0.020 2 1501 175 175 ARG HB3 H 1.437 0.020 2 1502 175 175 ARG HG2 H 1.317 0.020 2 1503 175 175 ARG HG3 H 0.859 0.020 2 1504 175 175 ARG HD2 H 2.817 0.020 2 1505 175 175 ARG HD3 H 2.759 0.020 2 1506 175 175 ARG CA C 53.309 0.300 1 1507 175 175 ARG CB C 31.619 0.300 1 1508 175 175 ARG CG C 24.857 0.300 1 1509 175 175 ARG CD C 41.044 0.300 1 1510 175 175 ARG N N 116.515 0.300 1 1511 176 176 ILE H H 7.969 0.020 1 1512 176 176 ILE HA H 4.012 0.020 1 1513 176 176 ILE HB H 1.220 0.020 1 1514 176 176 ILE HG12 H 1.145 0.020 2 1515 176 176 ILE HG13 H 0.759 0.020 2 1516 176 176 ILE HG2 H 0.767 0.020 1 1517 176 176 ILE HD1 H 0.136 0.020 1 1518 176 176 ILE CA C 59.966 0.300 1 1519 176 176 ILE CB C 37.503 0.300 1 1520 176 176 ILE CG1 C 25.453 0.300 1 1521 176 176 ILE CG2 C 14.394 0.300 1 1522 176 176 ILE CD1 C 9.822 0.300 1 1523 176 176 ILE N N 120.613 0.300 1 1524 177 177 GLY H H 8.871 0.020 1 1525 177 177 GLY HA2 H 3.917 0.020 2 1526 177 177 GLY HA3 H 3.650 0.020 2 1527 177 177 GLY N N 116.859 0.300 1 1528 178 178 HIS H H 7.925 0.020 1 1529 178 178 HIS HA H 4.549 0.020 1 1530 178 178 HIS HB2 H 3.316 0.020 2 1531 178 178 HIS HB3 H 3.217 0.020 2 1532 178 178 HIS CB C 27.130 0.300 1 1533 178 178 HIS N N 120.723 0.300 1 1534 179 179 ARG H H 7.921 0.020 1 1535 179 179 ARG HA H 4.509 0.020 1 1536 179 179 ARG HB2 H 1.812 0.020 1 1537 179 179 ARG HB3 H 1.812 0.020 1 1538 179 179 ARG HG2 H 1.509 0.020 1 1539 179 179 ARG HG3 H 1.509 0.020 1 1540 179 179 ARG HD2 H 3.210 0.020 1 1541 179 179 ARG HD3 H 3.210 0.020 1 1542 179 179 ARG CA C 51.692 0.300 1 1543 179 179 ARG N N 120.797 0.300 1 1544 180 180 TYR H H 8.343 0.020 1 1545 180 180 TYR HA H 4.421 0.020 1 1546 180 180 TYR HB2 H 2.897 0.020 2 1547 180 180 TYR HB3 H 2.707 0.020 2 1548 180 180 TYR HD1 H 7.240 0.020 1 1549 180 180 TYR HD2 H 7.240 0.020 1 1550 180 180 TYR CB C 36.122 0.300 1 1551 180 180 TYR N N 121.089 0.300 1 1552 181 181 ILE H H 7.970 0.020 1 1553 181 181 ILE HA H 4.466 0.020 1 1554 181 181 ILE HB H 1.971 0.020 1 1555 181 181 ILE HG12 H 1.485 0.020 2 1556 181 181 ILE HG13 H 0.499 0.020 2 1557 181 181 ILE HG2 H 0.557 0.020 1 1558 181 181 ILE HD1 H 0.354 0.020 1 1559 181 181 ILE CB C 34.515 0.300 1 1560 181 181 ILE CG1 C 24.034 0.300 1 1561 181 181 ILE CG2 C 15.152 0.300 1 1562 181 181 ILE CD1 C 8.173 0.300 1 1563 181 181 ILE N N 120.617 0.300 1 1564 182 182 GLU H H 8.472 0.020 1 1565 182 182 GLU HA H 4.844 0.020 1 1566 182 182 GLU HB2 H 2.073 0.020 1 1567 182 182 GLU HB3 H 2.073 0.020 1 1568 182 182 GLU HG2 H 2.417 0.020 2 1569 182 182 GLU HG3 H 2.065 0.020 2 1570 182 182 GLU CG C 34.934 0.300 1 1571 182 182 GLU N N 125.250 0.300 1 1572 183 183 VAL H H 9.307 0.020 1 1573 183 183 VAL HA H 4.868 0.020 1 1574 183 183 VAL HG1 H 1.048 0.020 2 1575 183 183 VAL CA C 58.936 0.300 1 1576 183 183 VAL N N 122.371 0.300 1 1577 184 184 PHE H H 9.304 0.020 1 1578 184 184 PHE HA H 5.061 0.020 1 1579 184 184 PHE HB2 H 3.402 0.020 2 1580 184 184 PHE HB3 H 2.795 0.020 2 1581 184 184 PHE HD1 H 7.183 0.020 1 1582 184 184 PHE HD2 H 7.183 0.020 1 1583 184 184 PHE HE1 H 7.265 0.020 1 1584 184 184 PHE HE2 H 7.265 0.020 1 1585 184 184 PHE HZ H 7.364 0.020 1 1586 184 184 PHE CA C 52.682 0.300 1 1587 184 184 PHE CB C 40.527 0.300 1 1588 184 184 PHE N N 122.365 0.300 1 1589 185 185 LYS H H 9.172 0.020 1 1590 185 185 LYS HA H 4.353 0.020 1 1591 185 185 LYS HB2 H 2.112 0.020 2 1592 185 185 LYS HB3 H 1.985 0.020 2 1593 185 185 LYS HG2 H 1.857 0.020 1 1594 185 185 LYS HG3 H 1.857 0.020 1 1595 185 185 LYS HD2 H 1.957 0.020 2 1596 185 185 LYS HD3 H 1.861 0.020 2 1597 185 185 LYS HE2 H 3.222 0.020 1 1598 185 185 LYS HE3 H 3.222 0.020 1 1599 185 185 LYS CA C 55.590 0.300 1 1600 185 185 LYS CB C 29.885 0.300 1 1601 185 185 LYS CG C 22.436 0.300 1 1602 185 185 LYS CD C 26.466 0.300 1 1603 185 185 LYS CE C 39.731 0.300 1 1604 185 185 LYS N N 123.366 0.300 1 1605 186 186 SER H H 8.029 0.020 1 1606 186 186 SER HA H 4.895 0.020 1 1607 186 186 SER HB2 H 3.995 0.020 2 1608 186 186 SER HB3 H 3.371 0.020 2 1609 186 186 SER CB C 62.627 0.300 1 1610 186 186 SER N N 120.733 0.300 1 1611 187 187 SER H H 9.230 0.020 1 1612 187 187 SER HA H 5.155 0.020 1 1613 187 187 SER HB2 H 4.186 0.020 2 1614 187 187 SER HB3 H 4.086 0.020 2 1615 187 187 SER CA C 54.754 0.300 1 1616 187 187 SER CB C 63.342 0.300 1 1617 187 187 SER N N 115.456 0.300 1 1618 188 188 GLN H H 9.342 0.020 1 1619 188 188 GLN HA H 2.954 0.020 1 1620 188 188 GLN HB2 H 2.020 0.020 1 1621 188 188 GLN HB3 H 2.020 0.020 1 1622 188 188 GLN HG2 H 2.285 0.020 2 1623 188 188 GLN HG3 H 2.213 0.020 2 1624 188 188 GLN HE21 H 7.463 0.020 2 1625 188 188 GLN HE22 H 6.920 0.020 2 1626 188 188 GLN CA C 55.763 0.300 1 1627 188 188 GLN CG C 31.197 0.300 1 1628 188 188 GLN N N 122.195 0.300 1 1629 188 188 GLN NE2 N 111.555 0.300 1 1630 189 189 GLU H H 8.352 0.020 1 1631 189 189 GLU HA H 3.937 0.020 1 1632 189 189 GLU HB2 H 1.981 0.020 1 1633 189 189 GLU HB3 H 1.981 0.020 1 1634 189 189 GLU HG2 H 2.278 0.020 1 1635 189 189 GLU HG3 H 2.278 0.020 1 1636 189 189 GLU CA C 56.242 0.300 1 1637 189 189 GLU CG C 33.938 0.300 1 1638 189 189 GLU N N 117.162 0.300 1 1639 190 190 GLU H H 7.529 0.020 1 1640 190 190 GLU HA H 3.967 0.020 1 1641 190 190 GLU HB2 H 2.113 0.020 1 1642 190 190 GLU HB3 H 2.113 0.020 1 1643 190 190 GLU HG2 H 2.424 0.020 1 1644 190 190 GLU HG3 H 2.424 0.020 1 1645 190 190 GLU CA C 56.072 0.300 1 1646 190 190 GLU N N 119.128 0.300 1 1647 191 191 VAL H H 6.956 0.020 1 1648 191 191 VAL HA H 2.434 0.020 1 1649 191 191 VAL HB H 1.524 0.020 1 1650 191 191 VAL HG1 H 0.377 0.020 2 1651 191 191 VAL HG2 H 0.571 0.020 2 1652 191 191 VAL CA C 61.690 0.300 1 1653 191 191 VAL CB C 28.546 0.300 1 1654 191 191 VAL CG1 C 18.848 0.300 1 1655 191 191 VAL CG2 C 18.046 0.300 1 1656 191 191 VAL N N 117.731 0.300 1 1657 192 192 ARG H H 7.180 0.020 1 1658 192 192 ARG HA H 4.253 0.020 1 1659 192 192 ARG HB2 H 1.828 0.020 2 1660 192 192 ARG HB3 H 1.740 0.020 2 1661 192 192 ARG HG2 H 1.613 0.020 1 1662 192 192 ARG HG3 H 1.613 0.020 1 1663 192 192 ARG HD2 H 3.142 0.020 1 1664 192 192 ARG HD3 H 3.142 0.020 1 1665 192 192 ARG CA C 53.859 0.300 1 1666 192 192 ARG CB C 28.158 0.300 1 1667 192 192 ARG CG C 24.416 0.300 1 1668 192 192 ARG CD C 40.546 0.300 1 1669 192 192 ARG N N 119.578 0.300 1 1670 193 193 SER H H 7.779 0.020 1 1671 193 193 SER HA H 4.450 0.020 1 1672 193 193 SER HB2 H 3.928 0.020 1 1673 193 193 SER HB3 H 3.928 0.020 1 1674 193 193 SER CB C 61.367 0.300 1 1675 193 193 SER N N 114.495 0.300 1 1676 194 194 TYR H H 7.407 0.020 1 1677 194 194 TYR HA H 4.362 0.020 1 1678 194 194 TYR HB2 H 3.070 0.020 2 1679 194 194 TYR HB3 H 3.025 0.020 2 1680 194 194 TYR HD1 H 7.186 0.020 1 1681 194 194 TYR HD2 H 7.186 0.020 1 1682 194 194 TYR HE1 H 6.850 0.020 1 1683 194 194 TYR HE2 H 6.850 0.020 1 1684 194 194 TYR CA C 57.643 0.300 1 1685 194 194 TYR CB C 36.895 0.300 1 1686 194 194 TYR N N 127.197 0.300 1 stop_ save_