data_6297 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the RWD domain of the mouse GCN2 protein ; _BMRB_accession_number 6297 _BMRB_flat_file_name bmr6297.str _Entry_type original _Submission_date 2004-08-26 _Accession_date 2004-08-26 _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 Nameki Nobukazu . . 2 Yoneyama Misao . . 3 Koshiba Seizo . . 4 Tochio Naoya . . 5 Inoue Makoto . . 6 Seki Eiko . . 7 Matsuda Takayoshi . . 8 Tomo Yasuko . . 9 Harada Takushi . . 10 Saito Kohei . . 11 Kobayashi Naohiro . . 12 Yabuki Takashi . . 13 Aoki Masaaki . . 14 Nunokawa Emi . . 15 Matsuda Natsuko . . 16 Sakagami Noriko . . 17 Terada Takaho . . 18 Shirouzu Mikako . . 19 Yoshida Mayumi . . 20 Hirota Hiroshi . . 21 Osanai Takashi . . 22 Tanaka Akiko . . 23 Arakawa Takahiro . . 24 Carninci Piero . . 25 Kawai Jun . . 26 Hayashizaki Yoshihide . . 27 Kinoshita Kengo . . 28 Guntert Peter . . 29 Kigawa Takanori . . 30 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" 793 "13C chemical shifts" 575 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-01-24 original author . stop_ _Original_release_date 2005-01-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the RWD domain of the mouse GCN2 protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15273307 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nameki Nobukazu . . 2 Yoneyama Misao . . 3 Koshiba Seizo . . 4 Tochio Naoya . . 5 Inoue Makoto . . 6 Seki Eiko . . 7 Matsuda Takayoshi . . 8 Tomo Yasuko . . 9 Harada Takushi . . 10 Saito Kohei . . 11 Kobayashi Naohiro . . 12 Yabuki Takashi . . 13 Aoki Masaaki . . 14 Nunokawa Emi . . 15 Matsuda Natsuko . . 16 Sakagami Noriko . . 17 Terada Takaho . . 18 Shirouzu Mikako . . 19 Yoshida Mayumi . . 20 Hirota Hiroshi . . 21 Osanai Takashi . . 22 Tanaka Akiko . . 23 Arakawa Takahiro . . 24 Carninci Piero . . 25 Kawai Jun . . 26 Hayashizaki Yoshihide . . 27 Kinoshita Kengo . . 28 Guntert Peter . . 29 Kigawa Takanori . . 30 Yokoyama Shigeyuki . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 13 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2089 _Page_last 2100 _Year 2004 _Details . loop_ _Keyword 'GI domain' 'hydrogen bond network' NMR 'protection factor' 'protein structure' stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system_GCN2 _Saveframe_category molecular_system _Mol_system_name GCN2 _Abbreviation_common GCN2 _Enzyme_commission_number 'EC: 2.7.1.-' loop_ _Mol_system_component_name _Mol_label 'GCN2, RWD_domain' $RWD_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function kinase stop_ _Database_query_date . _Details 'eIF2alpha kinase' save_ ######################## # Monomeric polymers # ######################## save_RWD_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'RWD domain' _Abbreviation_common 'RWD domain' _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'protein interaction' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; GSSGSSGMESYSQRQDHELQ ALEAIYGSDFQDLRPDARGR VREPPEINLVLYPQGLAGEE VYVQVELRVKCPPTYPDVVP EIDLKNAKGLSNESVNLLKS HLEELAKKQCGEVMIFELAH HVQSFLSEHNKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 GLU 10 SER 11 TYR 12 SER 13 GLN 14 ARG 15 GLN 16 ASP 17 HIS 18 GLU 19 LEU 20 GLN 21 ALA 22 LEU 23 GLU 24 ALA 25 ILE 26 TYR 27 GLY 28 SER 29 ASP 30 PHE 31 GLN 32 ASP 33 LEU 34 ARG 35 PRO 36 ASP 37 ALA 38 ARG 39 GLY 40 ARG 41 VAL 42 ARG 43 GLU 44 PRO 45 PRO 46 GLU 47 ILE 48 ASN 49 LEU 50 VAL 51 LEU 52 TYR 53 PRO 54 GLN 55 GLY 56 LEU 57 ALA 58 GLY 59 GLU 60 GLU 61 VAL 62 TYR 63 VAL 64 GLN 65 VAL 66 GLU 67 LEU 68 ARG 69 VAL 70 LYS 71 CYS 72 PRO 73 PRO 74 THR 75 TYR 76 PRO 77 ASP 78 VAL 79 VAL 80 PRO 81 GLU 82 ILE 83 ASP 84 LEU 85 LYS 86 ASN 87 ALA 88 LYS 89 GLY 90 LEU 91 SER 92 ASN 93 GLU 94 SER 95 VAL 96 ASN 97 LEU 98 LEU 99 LYS 100 SER 101 HIS 102 LEU 103 GLU 104 GLU 105 LEU 106 ALA 107 LYS 108 LYS 109 GLN 110 CYS 111 GLY 112 GLU 113 VAL 114 MET 115 ILE 116 PHE 117 GLU 118 LEU 119 ALA 120 HIS 121 HIS 122 VAL 123 GLN 124 SER 125 PHE 126 LEU 127 SER 128 GLU 129 HIS 130 ASN 131 LYS 132 SER 133 GLY 134 PRO 135 SER 136 SER 137 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1UKX "Solution Structure Of The Rwd Domain Of Mouse Gcn2" 100.00 137 100.00 100.00 1.09e-93 DBJ BAB28984 "unnamed protein product [Mus musculus]" 93.43 187 97.66 97.66 1.28e-84 REF NP_038747 "eukaryotic translation initiation factor 2-alpha kinase 4 isoform 1 [Mus musculus]" 93.43 1648 97.66 97.66 1.62e-76 REF XP_006499687 "PREDICTED: eukaryotic translation initiation factor 2-alpha kinase 4 isoform X1 [Mus musculus]" 93.43 1621 97.66 97.66 1.75e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RWD_domain Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $RWD_domain 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P021021-28 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 $RWD_domain 1.0 mM '[U-15N; U-13C]' dTris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . D20 10 % . H20 90 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_1H13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_1 save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCACA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACA _Sample_label $sample_1 save_ save_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label $sample_1 save_ save_HAHBNH_9 _Saveframe_category NMR_applied_experiment _Experiment_name HAHBNH _Sample_label $sample_1 save_ save_CCCONNH_10 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONNH _Sample_label $sample_1 save_ save_HCCCONNH_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONNH _Sample_label $sample_1 save_ save_HCCHCOSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _Sample_label $sample_1 save_ save_HCCHTOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label $sample_1 save_ save_15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label $sample_1 save_ save_13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HAHBNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCCONNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHCOSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 10 mM pH 7.0 0.2 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.698ppm at 298K), and then those of 15N and 13C were calculated based on their gyromagnetic ratios. In the case of 15N, correction value (+1.731ppm) was added to the calculated chemical shift values. ; 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 internal indirect . . . 0.251449530 $entry_citation $entry_citation H2O H 1 protons ppm 4.698 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 internal 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_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'GCN2, RWD_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 . 6 SER CA C 58.851 0.300 1 2 . 6 SER HA H 4.529 0.030 1 3 . 6 SER CB C 64.127 0.300 1 4 . 6 SER HB2 H 3.927 0.030 1 5 . 6 SER HB3 H 3.927 0.030 1 6 . 6 SER C C 175.176 0.300 1 7 . 7 GLY N N 110.710 0.200 1 8 . 7 GLY H H 8.499 0.030 1 9 . 7 GLY CA C 45.543 0.300 1 10 . 7 GLY HA2 H 3.995 0.030 1 11 . 7 GLY HA3 H 3.995 0.030 1 12 . 7 GLY C C 174.665 0.300 1 13 . 8 MET N N 119.658 0.200 1 14 . 8 MET H H 8.296 0.030 1 15 . 8 MET CA C 55.866 0.300 1 16 . 8 MET HA H 4.601 0.030 1 17 . 8 MET CB C 32.584 0.300 1 18 . 8 MET HB2 H 2.063 0.030 2 19 . 8 MET HB3 H 2.172 0.030 2 20 . 8 MET CG C 32.220 0.300 1 21 . 8 MET HG2 H 2.560 0.030 2 22 . 8 MET HG3 H 2.674 0.030 2 23 . 8 MET CE C 17.050 0.300 1 24 . 8 MET HE H 2.078 0.030 1 25 . 8 MET C C 177.124 0.300 1 26 . 9 GLU N N 121.410 0.200 1 27 . 9 GLU H H 8.619 0.030 1 28 . 9 GLU CA C 57.730 0.300 1 29 . 9 GLU HA H 4.308 0.030 1 30 . 9 GLU CB C 30.196 0.300 1 31 . 9 GLU HB2 H 1.995 0.030 2 32 . 9 GLU HB3 H 2.044 0.030 2 33 . 9 GLU CG C 36.660 0.300 1 34 . 9 GLU HG2 H 2.320 0.030 1 35 . 9 GLU HG3 H 2.320 0.030 1 36 . 9 GLU C C 177.102 0.300 1 37 . 10 SER N N 116.271 0.200 1 38 . 10 SER H H 8.333 0.030 1 39 . 10 SER CA C 58.774 0.300 1 40 . 10 SER HA H 4.358 0.030 1 41 . 10 SER CB C 64.159 0.300 1 42 . 10 SER HB2 H 3.882 0.030 2 43 . 10 SER HB3 H 4.085 0.030 2 44 . 10 SER C C 175.965 0.300 1 45 . 11 TYR N N 120.783 0.200 1 46 . 11 TYR H H 7.834 0.030 1 47 . 11 TYR CA C 62.649 0.300 1 48 . 11 TYR HA H 4.261 0.030 1 49 . 11 TYR CB C 38.092 0.300 1 50 . 11 TYR HB2 H 2.989 0.030 2 51 . 11 TYR HB3 H 3.532 0.030 2 52 . 11 TYR CD1 C 133.021 0.300 1 53 . 11 TYR HD1 H 7.193 0.030 1 54 . 11 TYR CD2 C 133.021 0.300 1 55 . 11 TYR HD2 H 7.193 0.030 1 56 . 11 TYR CE1 C 118.195 0.300 1 57 . 11 TYR HE1 H 6.755 0.030 1 58 . 11 TYR CE2 C 118.195 0.300 1 59 . 11 TYR HE2 H 6.755 0.030 1 60 . 11 TYR C C 178.536 0.300 1 61 . 12 SER N N 114.136 0.200 1 62 . 12 SER H H 8.500 0.030 1 63 . 12 SER CA C 62.182 0.300 1 64 . 12 SER HA H 3.924 0.030 1 65 . 12 SER CB C 62.182 0.300 1 66 . 12 SER HB2 H 3.933 0.030 2 67 . 12 SER HB3 H 4.039 0.030 2 68 . 12 SER C C 176.050 0.300 1 69 . 13 GLN N N 121.299 0.200 1 70 . 13 GLN H H 7.920 0.030 1 71 . 13 GLN CA C 59.273 0.300 1 72 . 13 GLN HA H 4.119 0.030 1 73 . 13 GLN CB C 28.879 0.300 1 74 . 13 GLN HB2 H 2.227 0.030 2 75 . 13 GLN HB3 H 2.066 0.030 2 76 . 13 GLN CG C 34.396 0.300 1 77 . 13 GLN HG2 H 2.360 0.030 2 78 . 13 GLN HG3 H 2.429 0.030 2 79 . 13 GLN NE2 N 112.131 0.200 1 80 . 13 GLN HE21 H 6.913 0.030 2 81 . 13 GLN HE22 H 7.522 0.030 2 82 . 13 GLN C C 178.842 0.300 1 83 . 14 ARG N N 119.023 0.200 1 84 . 14 ARG H H 8.116 0.030 1 85 . 14 ARG CA C 59.826 0.300 1 86 . 14 ARG HA H 4.162 0.030 1 87 . 14 ARG CB C 31.409 0.300 1 88 . 14 ARG HB2 H 1.985 0.030 1 89 . 14 ARG HB3 H 1.985 0.030 1 90 . 14 ARG CG C 27.173 0.300 1 91 . 14 ARG HG2 H 1.836 0.030 2 92 . 14 ARG HG3 H 2.053 0.030 2 93 . 14 ARG CD C 45.210 0.300 1 94 . 14 ARG HD2 H 2.983 0.030 2 95 . 14 ARG HD3 H 3.210 0.030 2 96 . 14 ARG C C 180.481 0.300 1 97 . 15 GLN N N 119.014 0.200 1 98 . 15 GLN H H 8.570 0.030 1 99 . 15 GLN CA C 58.596 0.300 1 100 . 15 GLN HA H 4.407 0.030 1 101 . 15 GLN CB C 28.668 0.300 1 102 . 15 GLN HB2 H 2.055 0.030 2 103 . 15 GLN HB3 H 2.408 0.030 2 104 . 15 GLN CG C 34.368 0.300 1 105 . 15 GLN HG2 H 2.783 0.030 2 106 . 15 GLN HG3 H 3.007 0.030 2 107 . 15 GLN NE2 N 109.463 0.200 1 108 . 15 GLN HE21 H 6.291 0.030 2 109 . 15 GLN HE22 H 8.431 0.030 2 110 . 15 GLN C C 178.198 0.300 1 111 . 16 ASP N N 120.627 0.200 1 112 . 16 ASP H H 8.756 0.030 1 113 . 16 ASP CA C 57.850 0.300 1 114 . 16 ASP HA H 4.532 0.030 1 115 . 16 ASP CB C 39.723 0.300 1 116 . 16 ASP HB2 H 2.727 0.030 2 117 . 16 ASP HB3 H 2.869 0.030 2 118 . 16 ASP C C 178.229 0.300 1 119 . 17 HIS N N 119.163 0.200 1 120 . 17 HIS H H 8.390 0.030 1 121 . 17 HIS CA C 59.248 0.300 1 122 . 17 HIS HA H 4.488 0.030 1 123 . 17 HIS CB C 30.076 0.300 1 124 . 17 HIS HB2 H 3.300 0.030 2 125 . 17 HIS HB3 H 3.373 0.030 2 126 . 17 HIS CD2 C 119.893 0.300 1 127 . 17 HIS HD2 H 7.155 0.030 1 128 . 17 HIS C C 178.316 0.300 1 129 . 18 GLU N N 122.113 0.200 1 130 . 18 GLU H H 7.868 0.030 1 131 . 18 GLU CA C 59.960 0.300 1 132 . 18 GLU HA H 4.335 0.030 1 133 . 18 GLU CB C 29.717 0.300 1 134 . 18 GLU HB2 H 2.197 0.030 2 135 . 18 GLU HB3 H 2.722 0.030 2 136 . 18 GLU CG C 37.162 0.300 1 137 . 18 GLU HG2 H 2.240 0.030 2 138 . 18 GLU HG3 H 2.381 0.030 2 139 . 18 GLU C C 177.991 0.300 1 140 . 19 LEU N N 119.007 0.200 1 141 . 19 LEU H H 8.522 0.030 1 142 . 19 LEU CA C 59.129 0.300 1 143 . 19 LEU HA H 3.950 0.030 1 144 . 19 LEU CB C 41.322 0.300 1 145 . 19 LEU HB2 H 1.801 0.030 2 146 . 19 LEU HB3 H 2.077 0.030 2 147 . 19 LEU CG C 28.117 0.300 1 148 . 19 LEU HG H 2.170 0.030 1 149 . 19 LEU CD1 C 24.267 0.300 2 150 . 19 LEU HD1 H 1.012 0.030 1 151 . 19 LEU CD2 C 25.293 0.300 2 152 . 19 LEU HD2 H 1.044 0.030 1 153 . 19 LEU C C 179.616 0.300 1 154 . 20 GLN N N 118.258 0.200 1 155 . 20 GLN H H 8.105 0.030 1 156 . 20 GLN CA C 58.999 0.300 1 157 . 20 GLN HA H 4.057 0.030 1 158 . 20 GLN CB C 28.379 0.300 1 159 . 20 GLN HB2 H 2.172 0.030 2 160 . 20 GLN HB3 H 2.231 0.030 2 161 . 20 GLN CG C 34.143 0.300 1 162 . 20 GLN HG2 H 2.461 0.030 2 163 . 20 GLN HG3 H 2.651 0.030 2 164 . 20 GLN NE2 N 111.440 0.200 1 165 . 20 GLN HE21 H 6.845 0.030 2 166 . 20 GLN HE22 H 7.489 0.030 2 167 . 20 GLN C C 178.975 0.300 1 168 . 21 ALA N N 123.566 0.200 1 169 . 21 ALA H H 7.768 0.030 1 170 . 21 ALA CA C 55.071 0.300 1 171 . 21 ALA HA H 4.263 0.030 1 172 . 21 ALA CB C 18.271 0.300 1 173 . 21 ALA HB H 1.682 0.030 1 174 . 21 ALA C C 180.419 0.300 1 175 . 22 LEU N N 119.290 0.200 1 176 . 22 LEU H H 8.556 0.030 1 177 . 22 LEU CA C 57.833 0.300 1 178 . 22 LEU HA H 4.033 0.030 1 179 . 22 LEU CB C 43.304 0.300 1 180 . 22 LEU HB2 H 1.006 0.030 2 181 . 22 LEU HB3 H 1.746 0.030 2 182 . 22 LEU CG C 26.396 0.300 1 183 . 22 LEU HG H 1.808 0.030 1 184 . 22 LEU CD1 C 27.262 0.300 1 185 . 22 LEU HD1 H 0.823 0.030 1 186 . 22 LEU CD2 C 22.296 0.300 1 187 . 22 LEU HD2 H 0.310 0.030 1 188 . 22 LEU C C 179.009 0.300 1 189 . 23 GLU N N 120.138 0.200 1 190 . 23 GLU H H 7.764 0.030 1 191 . 23 GLU CA C 59.749 0.300 1 192 . 23 GLU HA H 3.417 0.030 1 193 . 23 GLU CB C 29.124 0.300 1 194 . 23 GLU HB2 H 1.439 0.030 2 195 . 23 GLU HB3 H 1.842 0.030 2 196 . 23 GLU CG C 36.242 0.300 1 197 . 23 GLU HG2 H 2.192 0.030 2 198 . 23 GLU HG3 H 2.285 0.030 2 199 . 23 GLU C C 179.097 0.300 1 200 . 24 ALA N N 120.753 0.200 1 201 . 24 ALA H H 7.617 0.030 1 202 . 24 ALA CA C 54.907 0.300 1 203 . 24 ALA HA H 4.121 0.030 1 204 . 24 ALA CB C 18.205 0.300 1 205 . 24 ALA HB H 1.555 0.030 1 206 . 24 ALA C C 179.556 0.300 1 207 . 25 ILE N N 116.339 0.200 1 208 . 25 ILE H H 7.652 0.030 1 209 . 25 ILE CA C 62.259 0.300 1 210 . 25 ILE HA H 3.974 0.030 1 211 . 25 ILE CB C 38.410 0.300 1 212 . 25 ILE HB H 1.857 0.030 1 213 . 25 ILE CG1 C 28.223 0.300 1 214 . 25 ILE HG12 H 1.494 0.030 2 215 . 25 ILE HG13 H 1.608 0.030 2 216 . 25 ILE CG2 C 16.619 0.300 1 217 . 25 ILE HG2 H 0.391 0.030 1 218 . 25 ILE CD1 C 11.293 0.300 1 219 . 25 ILE HD1 H 0.772 0.030 1 220 . 25 ILE C C 177.961 0.300 1 221 . 26 TYR N N 116.921 0.200 1 222 . 26 TYR H H 8.788 0.030 1 223 . 26 TYR CA C 61.236 0.300 1 224 . 26 TYR HA H 4.492 0.030 1 225 . 26 TYR CB C 39.778 0.300 1 226 . 26 TYR HB2 H 2.846 0.030 2 227 . 26 TYR HB3 H 3.016 0.030 2 228 . 26 TYR CD1 C 133.097 0.300 1 229 . 26 TYR HD1 H 7.378 0.030 1 230 . 26 TYR CD2 C 133.097 0.300 1 231 . 26 TYR HD2 H 7.378 0.030 1 232 . 26 TYR CE1 C 117.893 0.300 1 233 . 26 TYR HE1 H 6.676 0.030 1 234 . 26 TYR CE2 C 117.893 0.300 1 235 . 26 TYR HE2 H 6.676 0.030 1 236 . 26 TYR C C 177.968 0.300 1 237 . 27 GLY N N 111.668 0.200 1 238 . 27 GLY H H 8.321 0.030 1 239 . 27 GLY CA C 47.529 0.300 1 240 . 27 GLY HA2 H 4.059 0.030 1 241 . 27 GLY HA3 H 4.059 0.030 1 242 . 27 GLY C C 176.578 0.300 1 243 . 28 SER N N 121.451 0.200 1 244 . 28 SER H H 9.046 0.030 1 245 . 28 SER CA C 60.708 0.300 1 246 . 28 SER HA H 4.517 0.030 1 247 . 28 SER CB C 63.104 0.300 1 248 . 28 SER HB2 H 4.043 0.030 2 249 . 28 SER HB3 H 4.188 0.030 2 250 . 29 ASP N N 120.953 0.200 1 251 . 29 ASP H H 8.230 0.030 1 252 . 29 ASP CA C 56.238 0.300 1 253 . 29 ASP HA H 4.857 0.030 1 254 . 29 ASP CB C 41.100 0.300 1 255 . 29 ASP HB2 H 3.101 0.030 2 256 . 29 ASP HB3 H 3.706 0.030 2 257 . 29 ASP C C 174.257 0.300 1 258 . 30 PHE N N 122.095 0.200 1 259 . 30 PHE H H 8.208 0.030 1 260 . 30 PHE CA C 56.853 0.300 1 261 . 30 PHE HA H 5.119 0.030 1 262 . 30 PHE CB C 41.216 0.300 1 263 . 30 PHE HB2 H 2.787 0.030 2 264 . 30 PHE HB3 H 3.484 0.030 2 265 . 30 PHE CD1 C 131.436 0.300 1 266 . 30 PHE HD1 H 7.076 0.030 1 267 . 30 PHE CD2 C 131.436 0.300 1 268 . 30 PHE HD2 H 7.076 0.030 1 269 . 30 PHE CE1 C 131.506 0.300 1 270 . 30 PHE HE1 H 7.251 0.030 1 271 . 30 PHE CE2 C 131.506 0.300 1 272 . 30 PHE HE2 H 7.251 0.030 1 273 . 30 PHE CZ C 129.009 0.300 1 274 . 30 PHE HZ H 7.211 0.030 1 275 . 30 PHE C C 173.559 0.300 1 276 . 31 GLN N N 124.258 0.200 1 277 . 31 GLN H H 8.190 0.030 1 278 . 31 GLN CA C 54.598 0.300 1 279 . 31 GLN HA H 4.239 0.030 1 280 . 31 GLN CB C 32.573 0.300 1 281 . 31 GLN HB2 H 1.750 0.030 2 282 . 31 GLN HB3 H 1.784 0.030 2 283 . 31 GLN CG C 33.661 0.300 1 284 . 31 GLN HG2 H 2.163 0.030 2 285 . 31 GLN HG3 H 2.222 0.030 2 286 . 31 GLN NE2 N 111.178 0.200 1 287 . 31 GLN HE21 H 6.513 0.030 2 288 . 31 GLN HE22 H 7.359 0.030 2 289 . 31 GLN C C 173.074 0.300 1 290 . 32 ASP N N 124.041 0.200 1 291 . 32 ASP H H 8.468 0.030 1 292 . 32 ASP CA C 52.852 0.300 1 293 . 32 ASP HA H 4.556 0.030 1 294 . 32 ASP CB C 41.006 0.300 1 295 . 32 ASP HB2 H 2.524 0.030 2 296 . 32 ASP HB3 H 3.012 0.030 2 297 . 32 ASP C C 177.157 0.300 1 298 . 33 LEU N N 126.480 0.200 1 299 . 33 LEU H H 8.866 0.030 1 300 . 33 LEU CA C 54.754 0.300 1 301 . 33 LEU HA H 4.207 0.030 1 302 . 33 LEU CB C 41.061 0.300 1 303 . 33 LEU HB2 H 1.290 0.030 2 304 . 33 LEU HB3 H 1.571 0.030 2 305 . 33 LEU CG C 27.080 0.300 1 306 . 33 LEU HG H 1.364 0.030 1 307 . 33 LEU CD1 C 22.321 0.300 2 308 . 33 LEU HD1 H 0.619 0.030 1 309 . 33 LEU CD2 C 25.370 0.300 2 310 . 33 LEU HD2 H 0.638 0.030 1 311 . 33 LEU C C 177.896 0.300 1 312 . 34 ARG N N 122.057 0.200 1 313 . 34 ARG H H 8.331 0.030 1 314 . 34 ARG CA C 55.305 0.300 1 315 . 34 ARG HA H 4.456 0.030 1 316 . 34 ARG CB C 30.468 0.300 1 317 . 34 ARG HB2 H 1.859 0.030 2 318 . 34 ARG HB3 H 1.961 0.030 2 319 . 34 ARG CG C 26.456 0.300 1 320 . 34 ARG HG2 H 1.918 0.030 2 321 . 34 ARG HG3 H 1.786 0.030 2 322 . 34 ARG CD C 44.132 0.300 1 323 . 34 ARG HD2 H 3.330 0.030 2 324 . 34 ARG HD3 H 3.020 0.030 2 325 . 34 ARG NE N 82.589 0.200 1 326 . 34 ARG HE H 8.710 0.030 1 327 . 34 ARG HH11 H 6.977 0.030 1 328 . 34 ARG HH12 H 6.977 0.030 1 329 . 34 ARG HH21 H 6.977 0.030 1 330 . 34 ARG HH22 H 6.977 0.030 1 331 . 34 ARG C C 175.067 0.300 1 332 . 35 PRO CA C 63.023 0.300 1 333 . 35 PRO HA H 4.457 0.030 1 334 . 35 PRO CB C 32.177 0.300 1 335 . 35 PRO HB2 H 1.927 0.030 2 336 . 35 PRO HB3 H 2.304 0.030 2 337 . 35 PRO CG C 27.251 0.300 1 338 . 35 PRO HG2 H 2.007 0.030 2 339 . 35 PRO HG3 H 2.037 0.030 2 340 . 35 PRO CD C 50.542 0.300 1 341 . 35 PRO HD2 H 3.660 0.030 2 342 . 35 PRO HD3 H 3.878 0.030 2 343 . 35 PRO C C 176.605 0.300 1 344 . 36 ASP N N 119.884 0.200 1 345 . 36 ASP H H 8.353 0.030 1 346 . 36 ASP CA C 54.499 0.300 1 347 . 36 ASP HA H 4.508 0.030 1 348 . 36 ASP CB C 41.046 0.300 1 349 . 36 ASP HB2 H 2.606 0.030 2 350 . 36 ASP HB3 H 2.717 0.030 2 351 . 36 ASP C C 176.393 0.300 1 352 . 37 ALA N N 125.935 0.200 1 353 . 37 ALA H H 8.330 0.030 1 354 . 37 ALA CA C 53.090 0.300 1 355 . 37 ALA HA H 4.260 0.030 1 356 . 37 ALA CB C 19.340 0.300 1 357 . 37 ALA HB H 1.422 0.030 1 358 . 37 ALA C C 178.056 0.300 1 359 . 38 ARG N N 119.210 0.200 1 360 . 38 ARG H H 8.433 0.030 1 361 . 38 ARG CA C 56.371 0.300 1 362 . 38 ARG HA H 4.309 0.030 1 363 . 38 ARG CB C 29.893 0.300 1 364 . 38 ARG HB2 H 1.824 0.030 2 365 . 38 ARG HB3 H 1.938 0.030 2 366 . 38 ARG CG C 26.994 0.300 1 367 . 38 ARG HG2 H 1.635 0.030 2 368 . 38 ARG HG3 H 1.687 0.030 2 369 . 38 ARG CD C 43.472 0.300 1 370 . 38 ARG HD2 H 3.218 0.030 1 371 . 38 ARG HD3 H 3.218 0.030 1 372 . 38 ARG C C 177.103 0.300 1 373 . 39 GLY N N 109.739 0.200 1 374 . 39 GLY H H 8.383 0.030 1 375 . 39 GLY CA C 45.493 0.300 1 376 . 39 GLY HA2 H 4.055 0.030 1 377 . 39 GLY HA3 H 4.055 0.030 1 378 . 39 GLY C C 174.245 0.300 1 379 . 40 ARG N N 119.644 0.200 1 380 . 40 ARG H H 8.152 0.030 1 381 . 40 ARG CA C 56.454 0.300 1 382 . 40 ARG HA H 4.329 0.030 1 383 . 40 ARG CB C 31.038 0.300 1 384 . 40 ARG HB2 H 1.830 0.030 2 385 . 40 ARG HB3 H 1.953 0.030 2 386 . 40 ARG CG C 27.235 0.300 1 387 . 40 ARG HG2 H 1.674 0.030 1 388 . 40 ARG HG3 H 1.674 0.030 1 389 . 40 ARG CD C 43.363 0.300 1 390 . 40 ARG HD2 H 3.239 0.030 1 391 . 40 ARG HD3 H 3.239 0.030 1 392 . 40 ARG C C 176.366 0.300 1 393 . 41 VAL N N 118.788 0.200 1 394 . 41 VAL H H 7.856 0.030 1 395 . 41 VAL CA C 62.294 0.300 1 396 . 41 VAL HA H 4.091 0.030 1 397 . 41 VAL CB C 32.617 0.300 1 398 . 41 VAL HB H 2.064 0.030 1 399 . 41 VAL CG1 C 20.855 0.300 2 400 . 41 VAL HG1 H 0.968 0.030 1 401 . 41 VAL CG2 C 21.181 0.300 2 402 . 41 VAL HG2 H 0.957 0.030 1 403 . 41 VAL C C 175.525 0.300 1 404 . 42 ARG N N 126.472 0.200 1 405 . 42 ARG H H 8.434 0.030 1 406 . 42 ARG CA C 56.363 0.300 1 407 . 42 ARG HA H 4.327 0.030 1 408 . 42 ARG CB C 31.067 0.300 1 409 . 42 ARG HB2 H 1.808 0.030 1 410 . 42 ARG HB3 H 1.808 0.030 1 411 . 42 ARG CG C 27.318 0.300 1 412 . 42 ARG HG2 H 1.576 0.030 2 413 . 42 ARG HG3 H 1.690 0.030 2 414 . 42 ARG CD C 43.629 0.300 1 415 . 42 ARG HD2 H 3.173 0.030 2 416 . 42 ARG HD3 H 3.266 0.030 2 417 . 42 ARG NE N 88.517 0.200 1 418 . 42 ARG HE H 8.671 0.030 1 419 . 42 ARG C C 176.195 0.300 1 420 . 43 GLU N N 127.266 0.200 1 421 . 43 GLU H H 8.740 0.030 1 422 . 43 GLU CA C 54.147 0.300 1 423 . 43 GLU HA H 4.691 0.030 1 424 . 43 GLU CB C 29.851 0.300 1 425 . 43 GLU HB2 H 1.741 0.030 2 426 . 43 GLU HB3 H 2.139 0.030 2 427 . 43 GLU CG C 36.196 0.300 1 428 . 43 GLU HG2 H 2.284 0.030 2 429 . 43 GLU HG3 H 2.358 0.030 2 430 . 43 GLU C C 173.202 0.300 1 431 . 44 PRO CA C 61.453 0.300 1 432 . 44 PRO HA H 4.665 0.030 1 433 . 44 PRO CB C 30.559 0.300 1 434 . 44 PRO HB2 H 2.237 0.030 2 435 . 44 PRO HB3 H 1.936 0.030 2 436 . 44 PRO CG C 27.961 0.300 1 437 . 44 PRO HG2 H 2.061 0.030 2 438 . 44 PRO HG3 H 1.894 0.030 2 439 . 44 PRO CD C 50.309 0.300 1 440 . 44 PRO HD2 H 3.707 0.030 2 441 . 44 PRO HD3 H 3.852 0.030 2 442 . 45 PRO CA C 64.751 0.300 1 443 . 45 PRO HA H 3.791 0.030 1 444 . 45 PRO CB C 33.059 0.300 1 445 . 45 PRO HB2 H 1.857 0.030 2 446 . 45 PRO HB3 H 2.178 0.030 2 447 . 45 PRO CG C 27.734 0.300 1 448 . 45 PRO HG2 H 1.965 0.030 2 449 . 45 PRO HG3 H 2.188 0.030 2 450 . 45 PRO CD C 50.702 0.300 1 451 . 45 PRO HD2 H 3.527 0.030 2 452 . 45 PRO HD3 H 3.956 0.030 2 453 . 45 PRO C C 174.243 0.300 1 454 . 46 GLU N N 123.446 0.200 1 455 . 46 GLU H H 6.453 0.030 1 456 . 46 GLU CA C 55.705 0.300 1 457 . 46 GLU HA H 5.177 0.030 1 458 . 46 GLU CB C 31.619 0.300 1 459 . 46 GLU HB2 H 1.791 0.030 2 460 . 46 GLU HB3 H 1.861 0.030 2 461 . 46 GLU CG C 36.456 0.300 1 462 . 46 GLU HG2 H 1.944 0.030 2 463 . 46 GLU HG3 H 2.059 0.030 2 464 . 46 GLU C C 174.629 0.300 1 465 . 47 ILE N N 119.248 0.200 1 466 . 47 ILE H H 8.996 0.030 1 467 . 47 ILE CA C 57.939 0.300 1 468 . 47 ILE HA H 5.105 0.030 1 469 . 47 ILE CB C 42.862 0.300 1 470 . 47 ILE HB H 1.739 0.030 1 471 . 47 ILE CG1 C 27.039 0.300 1 472 . 47 ILE HG12 H 0.997 0.030 2 473 . 47 ILE HG13 H 1.396 0.030 2 474 . 47 ILE CG2 C 20.453 0.300 1 475 . 47 ILE HG2 H 0.849 0.030 1 476 . 47 ILE CD1 C 15.444 0.300 1 477 . 47 ILE HD1 H 0.802 0.030 1 478 . 47 ILE C C 173.206 0.300 1 479 . 48 ASN N N 121.933 0.200 1 480 . 48 ASN H H 8.842 0.030 1 481 . 48 ASN CA C 52.151 0.300 1 482 . 48 ASN HA H 5.516 0.030 1 483 . 48 ASN CB C 44.659 0.300 1 484 . 48 ASN HB2 H 2.093 0.030 2 485 . 48 ASN HB3 H 2.699 0.030 2 486 . 48 ASN ND2 N 112.616 0.200 1 487 . 48 ASN HD21 H 7.213 0.030 2 488 . 48 ASN HD22 H 7.406 0.030 2 489 . 48 ASN C C 173.535 0.300 1 490 . 49 LEU N N 126.278 0.200 1 491 . 49 LEU H H 8.837 0.030 1 492 . 49 LEU CA C 52.812 0.300 1 493 . 49 LEU HA H 5.299 0.030 1 494 . 49 LEU CB C 45.791 0.300 1 495 . 49 LEU HB2 H 1.052 0.030 2 496 . 49 LEU HB3 H 1.407 0.030 2 497 . 49 LEU CG C 26.772 0.300 1 498 . 49 LEU HG H 1.340 0.030 1 499 . 49 LEU CD1 C 25.700 0.300 1 500 . 49 LEU HD1 H 0.475 0.030 1 501 . 49 LEU CD2 C 25.517 0.300 1 502 . 49 LEU HD2 H 0.512 0.030 1 503 . 49 LEU C C 175.195 0.300 1 504 . 50 VAL N N 126.115 0.200 1 505 . 50 VAL H H 8.632 0.030 1 506 . 50 VAL CA C 63.335 0.300 1 507 . 50 VAL HA H 3.922 0.030 1 508 . 50 VAL CB C 31.332 0.300 1 509 . 50 VAL HB H 2.126 0.030 1 510 . 50 VAL CG1 C 20.980 0.300 2 511 . 50 VAL HG1 H 0.765 0.030 1 512 . 50 VAL CG2 C 20.732 0.300 2 513 . 50 VAL HG2 H 0.901 0.030 1 514 . 50 VAL C C 173.972 0.300 1 515 . 51 LEU N N 125.488 0.200 1 516 . 51 LEU H H 8.284 0.030 1 517 . 51 LEU CA C 53.749 0.300 1 518 . 51 LEU HA H 4.696 0.030 1 519 . 51 LEU CB C 45.742 0.300 1 520 . 51 LEU HB2 H 1.073 0.030 2 521 . 51 LEU HB3 H 1.621 0.030 2 522 . 51 LEU CG C 26.207 0.300 1 523 . 51 LEU HG H 1.463 0.030 1 524 . 51 LEU CD1 C 27.933 0.300 1 525 . 51 LEU HD1 H 0.821 0.030 1 526 . 51 LEU CD2 C 24.325 0.300 1 527 . 51 LEU HD2 H 0.775 0.030 1 528 . 51 LEU C C 173.546 0.300 1 529 . 52 TYR N N 115.861 0.200 1 530 . 52 TYR H H 7.961 0.030 1 531 . 52 TYR CA C 55.252 0.300 1 532 . 52 TYR HA H 4.985 0.030 1 533 . 52 TYR CB C 39.569 0.300 1 534 . 52 TYR HB2 H 2.732 0.030 2 535 . 52 TYR HB3 H 3.253 0.030 2 536 . 52 TYR CD1 C 133.873 0.300 1 537 . 52 TYR HD1 H 7.124 0.030 1 538 . 52 TYR CD2 C 133.873 0.300 1 539 . 52 TYR HD2 H 7.124 0.030 1 540 . 52 TYR CE1 C 118.429 0.300 1 541 . 52 TYR HE1 H 6.807 0.030 1 542 . 52 TYR CE2 C 118.429 0.300 1 543 . 52 TYR HE2 H 6.807 0.030 1 544 . 52 TYR C C 173.412 0.300 1 545 . 53 PRO CA C 63.002 0.300 1 546 . 53 PRO HA H 4.539 0.030 1 547 . 53 PRO CB C 32.065 0.300 1 548 . 53 PRO HB2 H 2.011 0.030 2 549 . 53 PRO HB3 H 2.124 0.030 2 550 . 53 PRO CG C 27.785 0.300 1 551 . 53 PRO HG2 H 1.878 0.030 2 552 . 53 PRO HG3 H 2.166 0.030 2 553 . 53 PRO CD C 50.932 0.300 1 554 . 53 PRO HD2 H 4.012 0.030 1 555 . 53 PRO HD3 H 4.012 0.030 1 556 . 53 PRO C C 176.024 0.300 1 557 . 54 GLN N N 120.712 0.200 1 558 . 54 GLN H H 8.038 0.030 1 559 . 54 GLN CA C 55.925 0.300 1 560 . 54 GLN HA H 4.351 0.030 1 561 . 54 GLN CB C 29.880 0.300 1 562 . 54 GLN HB2 H 1.974 0.030 2 563 . 54 GLN HB3 H 2.137 0.030 2 564 . 54 GLN CG C 33.759 0.300 1 565 . 54 GLN HG2 H 2.394 0.030 1 566 . 54 GLN HG3 H 2.394 0.030 1 567 . 54 GLN NE2 N 112.771 0.200 1 568 . 54 GLN HE21 H 6.848 0.030 2 569 . 54 GLN HE22 H 7.517 0.030 2 570 . 54 GLN C C 176.544 0.300 1 571 . 55 GLY N N 111.607 0.200 1 572 . 55 GLY H H 8.627 0.030 1 573 . 55 GLY CA C 45.788 0.300 1 574 . 55 GLY HA2 H 3.995 0.030 1 575 . 55 GLY HA3 H 3.995 0.030 1 576 . 55 GLY C C 174.220 0.300 1 577 . 56 LEU N N 121.059 0.200 1 578 . 56 LEU H H 8.045 0.030 1 579 . 56 LEU CA C 54.441 0.300 1 580 . 56 LEU HA H 4.464 0.030 1 581 . 56 LEU CB C 43.081 0.300 1 582 . 56 LEU HB2 H 1.566 0.030 1 583 . 56 LEU HB3 H 1.566 0.030 1 584 . 56 LEU CG C 26.913 0.300 1 585 . 56 LEU HG H 1.580 0.030 1 586 . 56 LEU CD1 C 23.069 0.300 2 587 . 56 LEU HD1 H 0.867 0.030 1 588 . 56 LEU CD2 C 25.811 0.300 2 589 . 56 LEU HD2 H 0.907 0.030 1 590 . 56 LEU C C 176.944 0.300 1 591 . 57 ALA N N 124.485 0.200 1 592 . 57 ALA H H 8.542 0.030 1 593 . 57 ALA CA C 52.835 0.300 1 594 . 57 ALA HA H 4.170 0.030 1 595 . 57 ALA CB C 18.846 0.300 1 596 . 57 ALA HB H 1.375 0.030 1 597 . 57 ALA C C 178.412 0.300 1 598 . 58 GLY N N 109.194 0.200 1 599 . 58 GLY H H 8.250 0.030 1 600 . 58 GLY CA C 45.862 0.300 1 601 . 58 GLY HA2 H 3.702 0.030 2 602 . 58 GLY HA3 H 4.061 0.030 2 603 . 58 GLY C C 174.811 0.300 1 604 . 59 GLU N N 120.163 0.200 1 605 . 59 GLU H H 8.185 0.030 1 606 . 59 GLU CA C 56.559 0.300 1 607 . 59 GLU HA H 4.301 0.030 1 608 . 59 GLU CB C 30.189 0.300 1 609 . 59 GLU HB2 H 1.998 0.030 2 610 . 59 GLU HB3 H 2.122 0.030 2 611 . 59 GLU CG C 36.493 0.300 1 612 . 59 GLU HG2 H 2.259 0.030 2 613 . 59 GLU HG3 H 2.309 0.030 2 614 . 59 GLU C C 176.252 0.300 1 615 . 60 GLU N N 120.597 0.200 1 616 . 60 GLU H H 8.259 0.030 1 617 . 60 GLU CA C 56.417 0.300 1 618 . 60 GLU HA H 4.127 0.030 1 619 . 60 GLU CB C 30.160 0.300 1 620 . 60 GLU HB2 H 1.829 0.030 1 621 . 60 GLU HB3 H 1.829 0.030 1 622 . 60 GLU CG C 36.409 0.300 1 623 . 60 GLU HG2 H 2.120 0.030 2 624 . 60 GLU HG3 H 2.168 0.030 2 625 . 60 GLU C C 175.321 0.300 1 626 . 61 VAL N N 120.842 0.200 1 627 . 61 VAL H H 7.928 0.030 1 628 . 61 VAL CA C 62.197 0.300 1 629 . 61 VAL HA H 4.039 0.030 1 630 . 61 VAL CB C 33.115 0.300 1 631 . 61 VAL HB H 2.041 0.030 1 632 . 61 VAL CG1 C 21.077 0.300 2 633 . 61 VAL HG1 H 0.907 0.030 1 634 . 61 VAL CG2 C 22.658 0.300 2 635 . 61 VAL HG2 H 1.040 0.030 1 636 . 61 VAL C C 175.869 0.300 1 637 . 62 TYR N N 124.774 0.200 1 638 . 62 TYR H H 9.322 0.030 1 639 . 62 TYR CA C 58.630 0.300 1 640 . 62 TYR HA H 4.648 0.030 1 641 . 62 TYR CB C 40.256 0.300 1 642 . 62 TYR HB2 H 2.865 0.030 2 643 . 62 TYR HB3 H 3.262 0.030 2 644 . 62 TYR CD1 C 133.149 0.300 1 645 . 62 TYR HD1 H 7.092 0.030 1 646 . 62 TYR CD2 C 133.149 0.300 1 647 . 62 TYR HD2 H 7.092 0.030 1 648 . 62 TYR CE1 C 118.347 0.300 1 649 . 62 TYR HE1 H 6.825 0.030 1 650 . 62 TYR CE2 C 118.347 0.300 1 651 . 62 TYR HE2 H 6.825 0.030 1 652 . 62 TYR C C 175.364 0.300 1 653 . 63 VAL N N 111.292 0.200 1 654 . 63 VAL H H 7.110 0.030 1 655 . 63 VAL CA C 58.297 0.300 1 656 . 63 VAL HA H 5.189 0.030 1 657 . 63 VAL CB C 35.544 0.300 1 658 . 63 VAL HB H 2.052 0.030 1 659 . 63 VAL CG1 C 20.450 0.300 2 660 . 63 VAL HG1 H 1.065 0.030 1 661 . 63 VAL CG2 C 22.498 0.300 2 662 . 63 VAL HG2 H 1.080 0.030 1 663 . 63 VAL C C 173.731 0.300 1 664 . 64 GLN N N 114.295 0.200 1 665 . 64 GLN H H 7.990 0.030 1 666 . 64 GLN CA C 55.514 0.300 1 667 . 64 GLN HA H 4.916 0.030 1 668 . 64 GLN CB C 33.113 0.300 1 669 . 64 GLN HB2 H 2.008 0.030 2 670 . 64 GLN HB3 H 2.250 0.030 2 671 . 64 GLN CG C 33.520 0.300 1 672 . 64 GLN HG2 H 2.077 0.030 1 673 . 64 GLN HG3 H 2.077 0.030 1 674 . 64 GLN NE2 N 112.415 0.200 1 675 . 64 GLN HE21 H 6.784 0.030 2 676 . 64 GLN HE22 H 7.748 0.030 2 677 . 64 GLN C C 173.181 0.300 1 678 . 65 VAL N N 117.734 0.200 1 679 . 65 VAL H H 8.466 0.030 1 680 . 65 VAL CA C 61.690 0.300 1 681 . 65 VAL HA H 4.350 0.030 1 682 . 65 VAL CB C 34.274 0.300 1 683 . 65 VAL HB H 2.079 0.030 1 684 . 65 VAL CG1 C 20.146 0.300 2 685 . 65 VAL HG1 H 0.651 0.030 1 686 . 65 VAL CG2 C 23.116 0.300 2 687 . 65 VAL HG2 H 0.958 0.030 1 688 . 65 VAL C C 170.169 0.300 1 689 . 66 GLU N N 121.528 0.200 1 690 . 66 GLU H H 8.138 0.030 1 691 . 66 GLU CA C 54.517 0.300 1 692 . 66 GLU HA H 5.272 0.030 1 693 . 66 GLU CB C 29.799 0.300 1 694 . 66 GLU HB2 H 1.803 0.030 2 695 . 66 GLU HB3 H 2.081 0.030 2 696 . 66 GLU CG C 37.598 0.300 1 697 . 66 GLU HG2 H 2.100 0.030 2 698 . 66 GLU HG3 H 2.318 0.030 2 699 . 66 GLU C C 175.027 0.300 1 700 . 67 LEU N N 126.280 0.200 1 701 . 67 LEU H H 9.181 0.030 1 702 . 67 LEU CA C 53.579 0.300 1 703 . 67 LEU HA H 4.772 0.030 1 704 . 67 LEU CB C 45.150 0.300 1 705 . 67 LEU HB2 H 0.992 0.030 2 706 . 67 LEU HB3 H 1.882 0.030 2 707 . 67 LEU CG C 27.371 0.300 1 708 . 67 LEU HG H 1.388 0.030 1 709 . 67 LEU CD1 C 26.001 0.300 1 710 . 67 LEU HD1 H 0.627 0.030 1 711 . 67 LEU CD2 C 24.374 0.300 1 712 . 67 LEU HD2 H 0.771 0.030 1 713 . 67 LEU C C 172.873 0.300 1 714 . 68 ARG N N 128.887 0.200 1 715 . 68 ARG H H 8.824 0.030 1 716 . 68 ARG CA C 53.169 0.300 1 717 . 68 ARG HA H 5.418 0.030 1 718 . 68 ARG CB C 31.484 0.300 1 719 . 68 ARG HB2 H 1.577 0.030 2 720 . 68 ARG HB3 H 1.726 0.030 2 721 . 68 ARG CG C 26.800 0.300 1 722 . 68 ARG HG2 H 1.420 0.030 2 723 . 68 ARG HG3 H 1.513 0.030 2 724 . 68 ARG CD C 42.181 0.300 1 725 . 68 ARG HD2 H 3.143 0.030 1 726 . 68 ARG HD3 H 3.143 0.030 1 727 . 68 ARG NE N 83.907 0.200 1 728 . 68 ARG HE H 7.547 0.030 1 729 . 68 ARG C C 175.584 0.300 1 730 . 69 VAL N N 124.217 0.200 1 731 . 69 VAL H H 8.580 0.030 1 732 . 69 VAL CA C 60.358 0.300 1 733 . 69 VAL HA H 4.949 0.030 1 734 . 69 VAL CB C 35.373 0.300 1 735 . 69 VAL HB H 1.723 0.030 1 736 . 69 VAL CG1 C 20.753 0.300 1 737 . 69 VAL HG1 H 0.732 0.030 1 738 . 69 VAL CG2 C 22.456 0.300 1 739 . 69 VAL HG2 H 0.695 0.030 1 740 . 69 VAL C C 173.978 0.300 1 741 . 70 LYS N N 127.202 0.200 1 742 . 70 LYS H H 8.796 0.030 1 743 . 70 LYS CA C 54.915 0.300 1 744 . 70 LYS HA H 5.027 0.030 1 745 . 70 LYS CB C 35.488 0.300 1 746 . 70 LYS HB2 H 1.542 0.030 2 747 . 70 LYS HB3 H 1.839 0.030 2 748 . 70 LYS CG C 25.316 0.300 1 749 . 70 LYS HG2 H 1.091 0.030 2 750 . 70 LYS HG3 H 1.259 0.030 2 751 . 70 LYS CD C 29.608 0.300 1 752 . 70 LYS HD2 H 1.525 0.030 2 753 . 70 LYS HD3 H 1.561 0.030 2 754 . 70 LYS CE C 42.016 0.300 1 755 . 70 LYS HE2 H 2.830 0.030 1 756 . 70 LYS HE3 H 2.830 0.030 1 757 . 70 LYS C C 175.883 0.300 1 758 . 71 CYS N N 125.579 0.200 1 759 . 71 CYS H H 8.530 0.030 1 760 . 71 CYS CA C 56.894 0.300 1 761 . 71 CYS HA H 4.398 0.030 1 762 . 71 CYS CB C 27.903 0.300 1 763 . 71 CYS HB2 H 2.318 0.030 2 764 . 71 CYS HB3 H 2.699 0.030 2 765 . 71 CYS HG H 0.789 0.030 1 766 . 71 CYS C C 172.068 0.300 1 767 . 72 PRO CA C 61.625 0.300 1 768 . 72 PRO HA H 4.780 0.030 1 769 . 72 PRO CB C 31.005 0.300 1 770 . 72 PRO HB2 H 2.513 0.030 2 771 . 72 PRO HB3 H 1.806 0.030 2 772 . 72 PRO CG C 27.484 0.300 1 773 . 72 PRO HG2 H 2.065 0.030 2 774 . 72 PRO HG3 H 1.961 0.030 2 775 . 72 PRO CD C 51.969 0.300 1 776 . 72 PRO HD2 H 4.286 0.030 2 777 . 72 PRO HD3 H 3.464 0.030 2 778 . 73 PRO CA C 66.178 0.300 1 779 . 73 PRO HA H 4.341 0.030 1 780 . 73 PRO CB C 32.590 0.300 1 781 . 73 PRO HB2 H 1.942 0.030 2 782 . 73 PRO HB3 H 2.477 0.030 2 783 . 73 PRO CG C 27.870 0.300 1 784 . 73 PRO HG2 H 2.223 0.030 2 785 . 73 PRO HG3 H 2.052 0.030 2 786 . 73 PRO CD C 50.137 0.300 1 787 . 73 PRO HD2 H 3.753 0.030 2 788 . 73 PRO HD3 H 3.849 0.030 2 789 . 73 PRO C C 177.870 0.300 1 790 . 74 THR N N 100.249 0.200 1 791 . 74 THR H H 7.186 0.030 1 792 . 74 THR CA C 59.639 0.300 1 793 . 74 THR HA H 3.396 0.030 1 794 . 74 THR CB C 67.574 0.300 1 795 . 74 THR HB H 4.051 0.030 1 796 . 74 THR HG1 H 5.453 0.030 1 797 . 74 THR CG2 C 21.638 0.300 1 798 . 74 THR HG2 H 0.884 0.030 1 799 . 74 THR C C 174.532 0.300 1 800 . 75 TYR N N 124.131 0.200 1 801 . 75 TYR H H 7.513 0.030 1 802 . 75 TYR CA C 57.140 0.300 1 803 . 75 TYR HA H 4.779 0.030 1 804 . 75 TYR CB C 38.233 0.300 1 805 . 75 TYR HB2 H 2.922 0.030 2 806 . 75 TYR HB3 H 3.118 0.030 2 807 . 75 TYR CD1 C 133.338 0.300 2 808 . 75 TYR HD1 H 7.468 0.030 2 809 . 75 TYR CD2 C 134.341 0.300 2 810 . 75 TYR HD2 H 7.058 0.030 2 811 . 75 TYR CE1 C 118.031 0.300 2 812 . 75 TYR HE1 H 6.859 0.030 2 813 . 75 TYR CE2 C 119.968 0.300 2 814 . 75 TYR HE2 H 7.354 0.030 2 815 . 75 TYR HH H 13.748 0.030 1 816 . 76 PRO CA C 63.963 0.300 1 817 . 76 PRO HA H 4.108 0.030 1 818 . 76 PRO CB C 32.580 0.300 1 819 . 76 PRO HB2 H 0.281 0.030 2 820 . 76 PRO HB3 H 1.971 0.030 2 821 . 76 PRO CG C 25.183 0.300 1 822 . 76 PRO HG2 H 1.190 0.030 2 823 . 76 PRO HG3 H 1.549 0.030 2 824 . 76 PRO CD C 48.245 0.300 1 825 . 76 PRO HD2 H 3.312 0.030 2 826 . 76 PRO HD3 H 3.219 0.030 2 827 . 76 PRO C C 174.562 0.300 1 828 . 77 ASP N N 126.096 0.200 1 829 . 77 ASP H H 9.384 0.030 1 830 . 77 ASP CA C 57.110 0.300 1 831 . 77 ASP HA H 4.710 0.030 1 832 . 77 ASP CB C 40.258 0.300 1 833 . 77 ASP HB2 H 2.917 0.030 2 834 . 77 ASP HB3 H 2.849 0.030 2 835 . 77 ASP C C 175.644 0.300 1 836 . 78 VAL N N 112.991 0.200 1 837 . 78 VAL H H 6.905 0.030 1 838 . 78 VAL CA C 59.267 0.300 1 839 . 78 VAL HA H 4.386 0.030 1 840 . 78 VAL CB C 34.680 0.300 1 841 . 78 VAL HB H 1.951 0.030 1 842 . 78 VAL CG1 C 19.355 0.300 2 843 . 78 VAL HG1 H 0.621 0.030 1 844 . 78 VAL CG2 C 21.224 0.300 2 845 . 78 VAL HG2 H 0.849 0.030 1 846 . 78 VAL C C 174.338 0.300 1 847 . 79 VAL N N 113.457 0.200 1 848 . 79 VAL H H 7.761 0.030 1 849 . 79 VAL CA C 60.177 0.300 1 850 . 79 VAL HA H 4.219 0.030 1 851 . 79 VAL CB C 30.522 0.300 1 852 . 79 VAL HB H 2.262 0.030 1 853 . 79 VAL CG1 C 17.764 0.300 2 854 . 79 VAL HG1 H 0.962 0.030 1 855 . 79 VAL CG2 C 22.420 0.300 2 856 . 79 VAL HG2 H 1.038 0.030 1 857 . 79 VAL C C 173.491 0.300 1 858 . 80 PRO CA C 61.699 0.300 1 859 . 80 PRO HA H 4.836 0.030 1 860 . 80 PRO CB C 32.312 0.300 1 861 . 80 PRO HB2 H 1.826 0.030 1 862 . 80 PRO HB3 H 1.826 0.030 1 863 . 80 PRO CG C 25.970 0.300 1 864 . 80 PRO HG2 H 1.929 0.030 2 865 . 80 PRO HG3 H 1.778 0.030 2 866 . 80 PRO CD C 50.329 0.300 1 867 . 80 PRO HD2 H 3.787 0.030 2 868 . 80 PRO HD3 H 4.082 0.030 2 869 . 80 PRO C C 175.015 0.300 1 870 . 81 GLU N N 118.381 0.200 1 871 . 81 GLU H H 8.411 0.030 1 872 . 81 GLU CA C 56.160 0.300 1 873 . 81 GLU HA H 4.398 0.030 1 874 . 81 GLU CB C 30.750 0.300 1 875 . 81 GLU HB2 H 1.985 0.030 2 876 . 81 GLU HB3 H 2.037 0.030 2 877 . 81 GLU CG C 36.158 0.300 1 878 . 81 GLU HG2 H 2.169 0.030 2 879 . 81 GLU HG3 H 2.283 0.030 2 880 . 81 GLU C C 176.258 0.300 1 881 . 82 ILE N N 124.469 0.200 1 882 . 82 ILE H H 8.617 0.030 1 883 . 82 ILE CA C 60.168 0.300 1 884 . 82 ILE HA H 4.823 0.030 1 885 . 82 ILE CB C 42.079 0.300 1 886 . 82 ILE HB H 1.635 0.030 1 887 . 82 ILE CG1 C 27.485 0.300 1 888 . 82 ILE HG12 H 1.506 0.030 2 889 . 82 ILE HG13 H 0.780 0.030 2 890 . 82 ILE CG2 C 18.250 0.300 1 891 . 82 ILE HG2 H 0.733 0.030 1 892 . 82 ILE CD1 C 15.523 0.300 1 893 . 82 ILE HD1 H 0.768 0.030 1 894 . 82 ILE C C 174.336 0.300 1 895 . 83 ASP N N 124.372 0.200 1 896 . 83 ASP H H 9.043 0.030 1 897 . 83 ASP CA C 52.708 0.300 1 898 . 83 ASP HA H 4.864 0.030 1 899 . 83 ASP CB C 44.994 0.300 1 900 . 83 ASP HB2 H 2.364 0.030 2 901 . 83 ASP HB3 H 2.581 0.030 2 902 . 83 ASP C C 173.787 0.300 1 903 . 84 LEU N N 121.574 0.200 1 904 . 84 LEU H H 8.227 0.030 1 905 . 84 LEU CA C 52.821 0.300 1 906 . 84 LEU HA H 5.484 0.030 1 907 . 84 LEU CB C 44.404 0.300 1 908 . 84 LEU HB2 H 1.586 0.030 2 909 . 84 LEU HB3 H 1.124 0.030 2 910 . 84 LEU CG C 26.953 0.300 1 911 . 84 LEU HG H 1.406 0.030 1 912 . 84 LEU CD1 C 24.075 0.300 1 913 . 84 LEU HD1 H 0.813 0.030 1 914 . 84 LEU CD2 C 26.884 0.300 1 915 . 84 LEU HD2 H 0.831 0.030 1 916 . 84 LEU C C 175.840 0.300 1 917 . 85 LYS N N 121.065 0.200 1 918 . 85 LYS H H 9.193 0.030 1 919 . 85 LYS CA C 53.483 0.300 1 920 . 85 LYS HA H 4.662 0.030 1 921 . 85 LYS CB C 36.741 0.300 1 922 . 85 LYS HB2 H 1.674 0.030 2 923 . 85 LYS HB3 H 1.638 0.030 2 924 . 85 LYS CG C 24.381 0.300 1 925 . 85 LYS HG2 H 1.195 0.030 1 926 . 85 LYS HG3 H 1.195 0.030 1 927 . 85 LYS CD C 28.552 0.300 1 928 . 85 LYS HD2 H 1.554 0.030 2 929 . 85 LYS HD3 H 1.626 0.030 2 930 . 85 LYS CE C 42.016 0.300 1 931 . 85 LYS HE2 H 2.771 0.030 2 932 . 85 LYS HE3 H 2.907 0.030 2 933 . 85 LYS C C 174.509 0.300 1 934 . 86 ASN N N 115.697 0.200 1 935 . 86 ASN H H 8.835 0.030 1 936 . 86 ASN CA C 53.365 0.300 1 937 . 86 ASN HA H 4.302 0.030 1 938 . 86 ASN CB C 36.770 0.300 1 939 . 86 ASN HB2 H 2.604 0.030 2 940 . 86 ASN HB3 H 2.839 0.030 2 941 . 86 ASN ND2 N 113.440 0.200 1 942 . 86 ASN HD21 H 6.744 0.030 2 943 . 86 ASN HD22 H 7.702 0.030 2 944 . 86 ASN C C 174.563 0.300 1 945 . 87 ALA N N 118.591 0.200 1 946 . 87 ALA H H 8.289 0.030 1 947 . 87 ALA CA C 52.666 0.300 1 948 . 87 ALA HA H 4.685 0.030 1 949 . 87 ALA CB C 19.931 0.300 1 950 . 87 ALA HB H 1.324 0.030 1 951 . 87 ALA C C 177.991 0.300 1 952 . 88 LYS N N 123.738 0.200 1 953 . 88 LYS H H 8.835 0.030 1 954 . 88 LYS CA C 55.393 0.300 1 955 . 88 LYS HA H 4.683 0.030 1 956 . 88 LYS CB C 35.519 0.300 1 957 . 88 LYS HB2 H 1.702 0.030 2 958 . 88 LYS HB3 H 1.811 0.030 2 959 . 88 LYS CG C 24.668 0.300 1 960 . 88 LYS HG2 H 1.379 0.030 2 961 . 88 LYS HG3 H 1.454 0.030 2 962 . 88 LYS CD C 29.479 0.300 1 963 . 88 LYS HD2 H 1.583 0.030 1 964 . 88 LYS HD3 H 1.583 0.030 1 965 . 88 LYS CE C 42.193 0.300 1 966 . 88 LYS HE2 H 2.916 0.030 1 967 . 88 LYS HE3 H 2.916 0.030 1 968 . 88 LYS C C 176.385 0.300 1 969 . 89 GLY N N 110.447 0.200 1 970 . 89 GLY H H 8.714 0.030 1 971 . 89 GLY CA C 46.255 0.300 1 972 . 89 GLY HA2 H 3.793 0.030 2 973 . 89 GLY HA3 H 4.486 0.030 2 974 . 89 GLY C C 173.302 0.300 1 975 . 90 LEU N N 117.381 0.200 1 976 . 90 LEU H H 7.184 0.030 1 977 . 90 LEU CA C 52.735 0.300 1 978 . 90 LEU HA H 4.848 0.030 1 979 . 90 LEU CB C 46.428 0.300 1 980 . 90 LEU HB2 H 1.390 0.030 2 981 . 90 LEU HB3 H 1.420 0.030 2 982 . 90 LEU CG C 26.241 0.300 1 983 . 90 LEU HG H 1.747 0.030 1 984 . 90 LEU CD1 C 25.792 0.300 1 985 . 90 LEU HD1 H 0.735 0.030 1 986 . 90 LEU CD2 C 23.756 0.300 1 987 . 90 LEU HD2 H 0.793 0.030 1 988 . 90 LEU C C 176.412 0.300 1 989 . 91 SER N N 119.471 0.200 1 990 . 91 SER H H 9.027 0.030 1 991 . 91 SER CA C 57.090 0.300 1 992 . 91 SER HA H 4.510 0.030 1 993 . 91 SER CB C 64.993 0.300 1 994 . 91 SER HB2 H 4.471 0.030 2 995 . 91 SER HB3 H 4.159 0.030 2 996 . 91 SER C C 174.808 0.300 1 997 . 92 ASN CA C 56.641 0.300 1 998 . 92 ASN HA H 4.339 0.030 1 999 . 92 ASN CB C 38.068 0.300 1 1000 . 92 ASN HB2 H 2.805 0.030 2 1001 . 92 ASN HB3 H 2.835 0.030 2 1002 . 92 ASN ND2 N 113.123 0.200 1 1003 . 92 ASN HD21 H 7.049 0.030 2 1004 . 92 ASN HD22 H 7.758 0.030 2 1005 . 92 ASN C C 177.680 0.300 1 1006 . 93 GLU N N 118.875 0.200 1 1007 . 93 GLU H H 8.862 0.030 1 1008 . 93 GLU CA C 60.344 0.300 1 1009 . 93 GLU HA H 4.104 0.030 1 1010 . 93 GLU CB C 28.986 0.300 1 1011 . 93 GLU HB2 H 2.020 0.030 2 1012 . 93 GLU HB3 H 2.157 0.030 2 1013 . 93 GLU CG C 36.930 0.300 1 1014 . 93 GLU HG2 H 2.354 0.030 2 1015 . 93 GLU HG3 H 2.464 0.030 2 1016 . 93 GLU C C 179.486 0.300 1 1017 . 94 SER N N 118.532 0.200 1 1018 . 94 SER H H 8.169 0.030 1 1019 . 94 SER CA C 63.038 0.300 1 1020 . 94 SER HA H 4.105 0.030 1 1021 . 94 SER CB C 62.845 0.300 1 1022 . 94 SER HB2 H 3.832 0.030 2 1023 . 94 SER HB3 H 4.344 0.030 2 1024 . 94 SER C C 175.618 0.300 1 1025 . 95 VAL N N 122.503 0.200 1 1026 . 95 VAL H H 7.958 0.030 1 1027 . 95 VAL CA C 67.500 0.300 1 1028 . 95 VAL HA H 3.268 0.030 1 1029 . 95 VAL CB C 31.433 0.300 1 1030 . 95 VAL HB H 2.129 0.030 1 1031 . 95 VAL CG1 C 22.026 0.300 2 1032 . 95 VAL HG1 H 0.878 0.030 1 1033 . 95 VAL CG2 C 24.322 0.300 2 1034 . 95 VAL HG2 H 0.872 0.030 1 1035 . 95 VAL C C 177.188 0.300 1 1036 . 96 ASN N N 117.897 0.200 1 1037 . 96 ASN H H 8.111 0.030 1 1038 . 96 ASN CA C 56.134 0.300 1 1039 . 96 ASN HA H 4.408 0.030 1 1040 . 96 ASN CB C 37.914 0.300 1 1041 . 96 ASN HB2 H 2.864 0.030 2 1042 . 96 ASN HB3 H 2.805 0.030 2 1043 . 96 ASN ND2 N 111.972 0.200 1 1044 . 96 ASN HD21 H 6.856 0.030 2 1045 . 96 ASN HD22 H 7.587 0.030 2 1046 . 96 ASN C C 178.406 0.300 1 1047 . 97 LEU N N 123.192 0.200 1 1048 . 97 LEU H H 8.018 0.030 1 1049 . 97 LEU CA C 57.973 0.300 1 1050 . 97 LEU HA H 4.094 0.030 1 1051 . 97 LEU CB C 41.987 0.300 1 1052 . 97 LEU HB2 H 1.783 0.030 2 1053 . 97 LEU HB3 H 1.861 0.030 2 1054 . 97 LEU CG C 26.756 0.300 1 1055 . 97 LEU HG H 1.454 0.030 1 1056 . 97 LEU CD1 C 24.963 0.300 2 1057 . 97 LEU HD1 H 1.062 0.030 1 1058 . 97 LEU CD2 C 24.048 0.300 2 1059 . 97 LEU HD2 H 0.981 0.030 1 1060 . 97 LEU C C 178.660 0.300 1 1061 . 98 LEU N N 121.067 0.200 1 1062 . 98 LEU H H 7.923 0.030 1 1063 . 98 LEU CA C 57.512 0.300 1 1064 . 98 LEU HA H 3.622 0.030 1 1065 . 98 LEU CB C 39.716 0.300 1 1066 . 98 LEU HB2 H 0.386 0.030 2 1067 . 98 LEU HB3 H 1.551 0.030 2 1068 . 98 LEU CG C 26.457 0.300 1 1069 . 98 LEU HG H 1.241 0.030 1 1070 . 98 LEU CD1 C 21.932 0.300 1 1071 . 98 LEU HD1 H 0.595 0.030 1 1072 . 98 LEU CD2 C 25.370 0.300 1 1073 . 98 LEU HD2 H 0.537 0.030 1 1074 . 98 LEU C C 178.134 0.300 1 1075 . 99 LYS N N 119.286 0.200 1 1076 . 99 LYS H H 8.487 0.030 1 1077 . 99 LYS CA C 61.146 0.300 1 1078 . 99 LYS HA H 3.606 0.030 1 1079 . 99 LYS CB C 32.407 0.300 1 1080 . 99 LYS HB2 H 1.829 0.030 2 1081 . 99 LYS HB3 H 2.083 0.030 2 1082 . 99 LYS CG C 25.706 0.300 1 1083 . 99 LYS HG2 H 1.287 0.030 2 1084 . 99 LYS HG3 H 1.435 0.030 2 1085 . 99 LYS CD C 29.791 0.300 1 1086 . 99 LYS HD2 H 1.752 0.030 2 1087 . 99 LYS HD3 H 1.808 0.030 2 1088 . 99 LYS CE C 42.314 0.300 1 1089 . 99 LYS HE2 H 3.112 0.030 1 1090 . 99 LYS HE3 H 3.112 0.030 1 1091 . 99 LYS C C 178.059 0.300 1 1092 . 100 SER N N 113.767 0.200 1 1093 . 100 SER H H 7.799 0.030 1 1094 . 100 SER CA C 61.822 0.300 1 1095 . 100 SER HA H 4.358 0.030 1 1096 . 100 SER CB C 62.926 0.300 1 1097 . 100 SER HB2 H 4.080 0.030 1 1098 . 100 SER HB3 H 4.080 0.030 1 1099 . 101 HIS N N 122.043 0.200 1 1100 . 101 HIS H H 8.377 0.030 1 1101 . 101 HIS CA C 58.569 0.300 1 1102 . 101 HIS HA H 4.460 0.030 1 1103 . 101 HIS CB C 30.700 0.300 1 1104 . 101 HIS HB2 H 3.143 0.030 2 1105 . 101 HIS HB3 H 3.436 0.030 2 1106 . 101 HIS CD2 C 117.954 0.300 1 1107 . 101 HIS HD2 H 6.823 0.030 1 1108 . 101 HIS CE1 C 138.144 0.300 1 1109 . 101 HIS HE1 H 8.068 0.030 1 1110 . 101 HIS C C 179.135 0.300 1 1111 . 102 LEU N N 119.539 0.200 1 1112 . 102 LEU H H 8.672 0.030 1 1113 . 102 LEU CA C 57.634 0.300 1 1114 . 102 LEU HA H 3.909 0.030 1 1115 . 102 LEU CB C 41.998 0.300 1 1116 . 102 LEU HB2 H 1.312 0.030 2 1117 . 102 LEU HB3 H 2.141 0.030 2 1118 . 102 LEU CG C 26.200 0.300 1 1119 . 102 LEU HG H 2.092 0.030 1 1120 . 102 LEU CD1 C 27.087 0.300 1 1121 . 102 LEU HD1 H 0.728 0.030 1 1122 . 102 LEU CD2 C 23.271 0.300 1 1123 . 102 LEU HD2 H 0.938 0.030 1 1124 . 102 LEU C C 178.357 0.300 1 1125 . 103 GLU N N 118.768 0.200 1 1126 . 103 GLU H H 8.330 0.030 1 1127 . 103 GLU CA C 60.077 0.300 1 1128 . 103 GLU HA H 3.904 0.030 1 1129 . 103 GLU CB C 29.588 0.300 1 1130 . 103 GLU HB2 H 2.076 0.030 2 1131 . 103 GLU HB3 H 2.292 0.030 2 1132 . 103 GLU CG C 37.269 0.300 1 1133 . 103 GLU HG2 H 2.232 0.030 2 1134 . 103 GLU HG3 H 2.593 0.030 2 1135 . 103 GLU C C 179.961 0.300 1 1136 . 104 GLU N N 119.360 0.200 1 1137 . 104 GLU H H 7.768 0.030 1 1138 . 104 GLU CA C 59.120 0.300 1 1139 . 104 GLU HA H 4.093 0.030 1 1140 . 104 GLU CB C 29.468 0.300 1 1141 . 104 GLU HB2 H 2.111 0.030 2 1142 . 104 GLU HB3 H 2.148 0.030 2 1143 . 104 GLU CG C 36.074 0.300 1 1144 . 104 GLU HG2 H 2.412 0.030 2 1145 . 104 GLU HG3 H 2.360 0.030 2 1146 . 104 GLU C C 179.009 0.300 1 1147 . 105 LEU N N 122.830 0.200 1 1148 . 105 LEU H H 8.180 0.030 1 1149 . 105 LEU CA C 57.891 0.300 1 1150 . 105 LEU HA H 4.042 0.030 1 1151 . 105 LEU CB C 42.132 0.300 1 1152 . 105 LEU HB2 H 1.419 0.030 2 1153 . 105 LEU HB3 H 1.686 0.030 2 1154 . 105 LEU CG C 26.981 0.300 1 1155 . 105 LEU HG H 1.405 0.030 1 1156 . 105 LEU CD1 C 23.873 0.300 1 1157 . 105 LEU HD1 H 0.775 0.030 1 1158 . 105 LEU CD2 C 25.363 0.300 1 1159 . 105 LEU HD2 H 0.649 0.030 1 1160 . 105 LEU C C 178.641 0.300 1 1161 . 106 ALA N N 120.689 0.200 1 1162 . 106 ALA H H 8.597 0.030 1 1163 . 106 ALA CA C 54.941 0.300 1 1164 . 106 ALA HA H 4.340 0.030 1 1165 . 106 ALA CB C 18.514 0.300 1 1166 . 106 ALA HB H 1.501 0.030 1 1167 . 106 ALA C C 179.174 0.300 1 1168 . 107 LYS N N 114.721 0.200 1 1169 . 107 LYS H H 7.318 0.030 1 1170 . 107 LYS CA C 59.826 0.300 1 1171 . 107 LYS HA H 3.836 0.030 1 1172 . 107 LYS CB C 32.591 0.300 1 1173 . 107 LYS HB2 H 1.966 0.030 1 1174 . 107 LYS HB3 H 1.966 0.030 1 1175 . 107 LYS CG C 25.614 0.300 1 1176 . 107 LYS HG2 H 1.496 0.030 2 1177 . 107 LYS HG3 H 1.760 0.030 2 1178 . 107 LYS CD C 29.570 0.300 1 1179 . 107 LYS HD2 H 1.757 0.030 1 1180 . 107 LYS HD3 H 1.757 0.030 1 1181 . 107 LYS CE C 42.191 0.300 1 1182 . 107 LYS HE2 H 3.001 0.030 1 1183 . 107 LYS HE3 H 3.001 0.030 1 1184 . 107 LYS C C 179.711 0.300 1 1185 . 108 LYS N N 118.762 0.200 1 1186 . 108 LYS H H 7.657 0.030 1 1187 . 108 LYS CA C 58.765 0.300 1 1188 . 108 LYS HA H 4.150 0.030 1 1189 . 108 LYS CB C 32.727 0.300 1 1190 . 108 LYS HB2 H 2.062 0.030 1 1191 . 108 LYS HB3 H 2.062 0.030 1 1192 . 108 LYS CG C 25.168 0.300 1 1193 . 108 LYS HG2 H 1.541 0.030 2 1194 . 108 LYS HG3 H 1.652 0.030 2 1195 . 108 LYS CD C 29.294 0.300 1 1196 . 108 LYS HD2 H 1.717 0.030 1 1197 . 108 LYS HD3 H 1.717 0.030 1 1198 . 108 LYS CE C 42.183 0.300 1 1199 . 108 LYS HE2 H 3.008 0.030 1 1200 . 108 LYS HE3 H 3.008 0.030 1 1201 . 108 LYS C C 178.279 0.300 1 1202 . 109 GLN N N 116.354 0.200 1 1203 . 109 GLN H H 7.959 0.030 1 1204 . 109 GLN CA C 55.104 0.300 1 1205 . 109 GLN HA H 4.312 0.030 1 1206 . 109 GLN CB C 30.140 0.300 1 1207 . 109 GLN HB2 H 2.160 0.030 2 1208 . 109 GLN HB3 H 2.509 0.030 2 1209 . 109 GLN CG C 34.554 0.300 1 1210 . 109 GLN HG2 H 2.299 0.030 2 1211 . 109 GLN HG3 H 2.559 0.030 2 1212 . 109 GLN NE2 N 109.403 0.200 1 1213 . 109 GLN HE21 H 6.763 0.030 2 1214 . 109 GLN HE22 H 7.433 0.030 2 1215 . 109 GLN C C 174.942 0.300 1 1216 . 110 CYS N N 118.511 0.200 1 1217 . 110 CYS H H 7.192 0.030 1 1218 . 110 CYS CA C 63.348 0.300 1 1219 . 110 CYS HA H 3.844 0.030 1 1220 . 110 CYS CB C 27.148 0.300 1 1221 . 110 CYS HB2 H 2.846 0.030 2 1222 . 110 CYS HB3 H 2.901 0.030 2 1223 . 110 CYS C C 174.347 0.300 1 1224 . 111 GLY N N 116.955 0.200 1 1225 . 111 GLY H H 8.640 0.030 1 1226 . 111 GLY CA C 44.507 0.300 1 1227 . 111 GLY HA2 H 3.750 0.030 2 1228 . 111 GLY HA3 H 4.659 0.030 2 1229 . 111 GLY C C 173.732 0.300 1 1230 . 112 GLU N N 121.034 0.200 1 1231 . 112 GLU H H 8.202 0.030 1 1232 . 112 GLU CA C 53.843 0.300 1 1233 . 112 GLU HA H 4.594 0.030 1 1234 . 112 GLU CB C 32.794 0.300 1 1235 . 112 GLU HB2 H 1.949 0.030 2 1236 . 112 GLU HB3 H 2.072 0.030 2 1237 . 112 GLU CG C 35.991 0.300 1 1238 . 112 GLU HG2 H 2.325 0.030 2 1239 . 112 GLU HG3 H 2.547 0.030 2 1240 . 112 GLU C C 174.134 0.300 1 1241 . 113 VAL N N 115.588 0.200 1 1242 . 113 VAL H H 8.748 0.030 1 1243 . 113 VAL CA C 64.160 0.300 1 1244 . 113 VAL HA H 3.917 0.030 1 1245 . 113 VAL CB C 29.416 0.300 1 1246 . 113 VAL HB H 2.922 0.030 1 1247 . 113 VAL CG1 C 17.637 0.300 2 1248 . 113 VAL HG1 H 1.118 0.030 1 1249 . 113 VAL CG2 C 22.242 0.300 2 1250 . 113 VAL HG2 H 1.046 0.030 1 1251 . 113 VAL C C 177.926 0.300 1 1252 . 114 MET N N 117.133 0.200 1 1253 . 114 MET H H 8.262 0.030 1 1254 . 114 MET CA C 56.532 0.300 1 1255 . 114 MET HA H 5.434 0.030 1 1256 . 114 MET CB C 37.539 0.300 1 1257 . 114 MET HB2 H 2.134 0.030 2 1258 . 114 MET HB3 H 2.268 0.030 2 1259 . 114 MET CG C 30.140 0.300 1 1260 . 114 MET HG2 H 2.958 0.030 2 1261 . 114 MET HG3 H 2.270 0.030 2 1262 . 114 MET CE C 16.588 0.300 1 1263 . 114 MET HE H 2.272 0.030 1 1264 . 114 MET C C 176.327 0.300 1 1265 . 115 ILE N N 126.593 0.200 1 1266 . 115 ILE H H 10.304 0.030 1 1267 . 115 ILE CA C 67.693 0.300 1 1268 . 115 ILE HA H 3.516 0.030 1 1269 . 115 ILE CB C 35.931 0.300 1 1270 . 115 ILE HB H 1.858 0.030 1 1271 . 115 ILE CG1 C 29.960 0.300 1 1272 . 115 ILE HG12 H 2.262 0.030 2 1273 . 115 ILE HG13 H 0.745 0.030 2 1274 . 115 ILE CG2 C 19.156 0.300 1 1275 . 115 ILE HG2 H 0.722 0.030 1 1276 . 115 ILE CD1 C 13.008 0.300 1 1277 . 115 ILE HD1 H 0.588 0.030 1 1278 . 116 PHE N N 117.796 0.200 1 1279 . 116 PHE H H 9.093 0.030 1 1280 . 116 PHE CA C 63.646 0.300 1 1281 . 116 PHE HA H 4.078 0.030 1 1282 . 116 PHE CB C 38.070 0.300 1 1283 . 116 PHE HB2 H 2.928 0.030 2 1284 . 116 PHE HB3 H 3.185 0.030 2 1285 . 116 PHE CD1 C 132.159 0.300 1 1286 . 116 PHE HD1 H 7.581 0.030 1 1287 . 116 PHE CD2 C 132.159 0.300 1 1288 . 116 PHE HD2 H 7.581 0.030 1 1289 . 116 PHE CE1 C 131.436 0.300 1 1290 . 116 PHE HE1 H 7.380 0.030 1 1291 . 116 PHE CE2 C 131.436 0.300 1 1292 . 116 PHE HE2 H 7.380 0.030 1 1293 . 116 PHE CZ C 129.333 0.300 1 1294 . 116 PHE HZ H 7.159 0.030 1 1295 . 116 PHE C C 178.126 0.300 1 1296 . 117 GLU N N 119.860 0.200 1 1297 . 117 GLU H H 8.168 0.030 1 1298 . 117 GLU CA C 60.241 0.300 1 1299 . 117 GLU HA H 4.162 0.030 1 1300 . 117 GLU CB C 28.695 0.300 1 1301 . 117 GLU HB2 H 2.033 0.030 2 1302 . 117 GLU HB3 H 2.329 0.030 2 1303 . 117 GLU CG C 36.718 0.300 1 1304 . 117 GLU HG2 H 2.395 0.030 2 1305 . 117 GLU HG3 H 2.498 0.030 2 1306 . 117 GLU C C 180.219 0.300 1 1307 . 118 LEU N N 119.124 0.200 1 1308 . 118 LEU H H 8.291 0.030 1 1309 . 118 LEU CA C 58.320 0.300 1 1310 . 118 LEU HA H 4.010 0.030 1 1311 . 118 LEU CB C 41.696 0.300 1 1312 . 118 LEU HB2 H 1.267 0.030 2 1313 . 118 LEU HB3 H 2.112 0.030 2 1314 . 118 LEU CG C 26.455 0.300 1 1315 . 118 LEU HG H 2.132 0.030 1 1316 . 118 LEU CD1 C 25.949 0.300 1 1317 . 118 LEU HD1 H 0.802 0.030 1 1318 . 118 LEU CD2 C 22.936 0.300 1 1319 . 118 LEU HD2 H 0.852 0.030 1 1320 . 118 LEU C C 178.316 0.300 1 1321 . 119 ALA N N 120.867 0.200 1 1322 . 119 ALA H H 8.823 0.030 1 1323 . 119 ALA CA C 55.303 0.300 1 1324 . 119 ALA HA H 3.779 0.030 1 1325 . 119 ALA CB C 17.987 0.300 1 1326 . 119 ALA HB H 1.353 0.030 1 1327 . 119 ALA C C 179.819 0.300 1 1328 . 120 HIS N N 117.984 0.200 1 1329 . 120 HIS H H 8.918 0.030 1 1330 . 120 HIS CA C 59.104 0.300 1 1331 . 120 HIS HA H 4.461 0.030 1 1332 . 120 HIS CB C 29.582 0.300 1 1333 . 120 HIS HB2 H 3.247 0.030 2 1334 . 120 HIS HB3 H 3.300 0.030 2 1335 . 120 HIS CD2 C 120.040 0.300 1 1336 . 120 HIS HD2 H 7.085 0.030 1 1337 . 120 HIS C C 178.494 0.300 1 1338 . 121 HIS N N 120.267 0.200 1 1339 . 121 HIS H H 8.175 0.030 1 1340 . 121 HIS CA C 60.826 0.300 1 1341 . 121 HIS HA H 4.230 0.030 1 1342 . 121 HIS CB C 30.107 0.300 1 1343 . 121 HIS HB2 H 3.217 0.030 1 1344 . 121 HIS HB3 H 3.217 0.030 1 1345 . 121 HIS CD2 C 120.266 0.300 1 1346 . 121 HIS HD2 H 6.753 0.030 1 1347 . 121 HIS CE1 C 138.768 0.300 1 1348 . 121 HIS HE1 H 7.853 0.030 1 1349 . 121 HIS C C 178.719 0.300 1 1350 . 122 VAL N N 119.053 0.200 1 1351 . 122 VAL H H 8.241 0.030 1 1352 . 122 VAL CA C 67.301 0.300 1 1353 . 122 VAL HA H 3.589 0.030 1 1354 . 122 VAL CB C 30.971 0.300 1 1355 . 122 VAL HB H 2.477 0.030 1 1356 . 122 VAL CG1 C 23.225 0.300 2 1357 . 122 VAL HG1 H 0.751 0.030 1 1358 . 122 VAL CG2 C 24.822 0.300 2 1359 . 122 VAL HG2 H 1.144 0.030 1 1360 . 122 VAL C C 177.640 0.300 1 1361 . 123 GLN N N 118.045 0.200 1 1362 . 123 GLN H H 8.751 0.030 1 1363 . 123 GLN CA C 60.436 0.300 1 1364 . 123 GLN HA H 3.874 0.030 1 1365 . 123 GLN CB C 29.178 0.300 1 1366 . 123 GLN HB2 H 2.155 0.030 2 1367 . 123 GLN HB3 H 2.406 0.030 2 1368 . 123 GLN CG C 35.613 0.300 1 1369 . 123 GLN HG2 H 2.737 0.030 2 1370 . 123 GLN HG3 H 2.797 0.030 2 1371 . 123 GLN NE2 N 113.165 0.200 1 1372 . 123 GLN HE21 H 7.237 0.030 2 1373 . 123 GLN HE22 H 7.933 0.030 2 1374 . 123 GLN C C 179.203 0.300 1 1375 . 124 SER N N 116.589 0.200 1 1376 . 124 SER H H 8.332 0.030 1 1377 . 124 SER CA C 61.977 0.300 1 1378 . 124 SER HA H 4.267 0.030 1 1379 . 124 SER CB C 62.689 0.300 1 1380 . 124 SER HB2 H 3.916 0.030 1 1381 . 124 SER HB3 H 3.916 0.030 1 1382 . 124 SER C C 179.231 0.300 1 1383 . 125 PHE N N 125.238 0.200 1 1384 . 125 PHE H H 8.236 0.030 1 1385 . 125 PHE CA C 61.497 0.300 1 1386 . 125 PHE HA H 4.333 0.030 1 1387 . 125 PHE CB C 39.745 0.300 1 1388 . 125 PHE HB2 H 3.024 0.030 2 1389 . 125 PHE HB3 H 3.323 0.030 2 1390 . 125 PHE CD1 C 132.663 0.300 1 1391 . 125 PHE HD1 H 7.160 0.030 1 1392 . 125 PHE CD2 C 132.663 0.300 1 1393 . 125 PHE HD2 H 7.160 0.030 1 1394 . 125 PHE CE1 C 131.037 0.300 1 1395 . 125 PHE HE1 H 7.030 0.030 1 1396 . 125 PHE CE2 C 131.037 0.300 1 1397 . 125 PHE HE2 H 7.030 0.030 1 1398 . 125 PHE CZ C 131.037 0.300 1 1399 . 125 PHE HZ H 7.030 0.030 1 1400 . 125 PHE C C 179.013 0.300 1 1401 . 126 LEU N N 118.995 0.200 1 1402 . 126 LEU H H 9.251 0.030 1 1403 . 126 LEU CA C 58.007 0.300 1 1404 . 126 LEU HA H 3.950 0.030 1 1405 . 126 LEU CB C 40.991 0.300 1 1406 . 126 LEU HB2 H 1.273 0.030 2 1407 . 126 LEU HB3 H 1.986 0.030 2 1408 . 126 LEU CG C 26.163 0.300 1 1409 . 126 LEU HG H 2.176 0.030 1 1410 . 126 LEU CD1 C 27.073 0.300 1 1411 . 126 LEU HD1 H 0.719 0.030 1 1412 . 126 LEU CD2 C 22.477 0.300 1 1413 . 126 LEU HD2 H 0.778 0.030 1 1414 . 126 LEU C C 179.091 0.300 1 1415 . 127 SER N N 114.311 0.200 1 1416 . 127 SER H H 8.203 0.030 1 1417 . 127 SER CA C 62.855 0.300 1 1418 . 127 SER HA H 4.221 0.030 1 1419 . 127 SER CB C 62.855 0.300 1 1420 . 127 SER HB2 H 4.227 0.030 2 1421 . 127 SER HB3 H 4.130 0.030 2 1422 . 127 SER C C 176.406 0.300 1 1423 . 128 GLU N N 120.148 0.200 1 1424 . 128 GLU H H 7.593 0.030 1 1425 . 128 GLU CA C 58.249 0.300 1 1426 . 128 GLU HA H 4.065 0.030 1 1427 . 128 GLU CB C 29.361 0.300 1 1428 . 128 GLU HB2 H 1.860 0.030 2 1429 . 128 GLU HB3 H 1.960 0.030 2 1430 . 128 GLU CG C 35.907 0.300 1 1431 . 128 GLU HG2 H 2.029 0.030 2 1432 . 128 GLU HG3 H 2.217 0.030 2 1433 . 128 GLU C C 177.453 0.300 1 1434 . 129 HIS N N 116.219 0.200 1 1435 . 129 HIS H H 7.544 0.030 1 1436 . 129 HIS CA C 57.577 0.300 1 1437 . 129 HIS HA H 4.355 0.030 1 1438 . 129 HIS CB C 30.239 0.300 1 1439 . 129 HIS HB2 H 3.346 0.030 2 1440 . 129 HIS HB3 H 2.515 0.030 2 1441 . 129 HIS CD2 C 121.242 0.300 1 1442 . 129 HIS HD2 H 6.462 0.030 1 1443 . 129 HIS CE1 C 138.021 0.300 1 1444 . 129 HIS HE1 H 7.497 0.030 1 1445 . 129 HIS C C 175.030 0.300 1 1446 . 130 ASN N N 120.161 0.200 1 1447 . 130 ASN H H 7.728 0.030 1 1448 . 130 ASN CA C 54.711 0.300 1 1449 . 130 ASN HA H 4.836 0.030 1 1450 . 130 ASN CB C 38.773 0.300 1 1451 . 130 ASN HB2 H 2.807 0.030 2 1452 . 130 ASN HB3 H 3.054 0.030 2 1453 . 130 ASN ND2 N 114.300 0.200 1 1454 . 130 ASN HD21 H 7.332 0.030 2 1455 . 130 ASN HD22 H 7.941 0.030 2 1456 . 130 ASN C C 174.501 0.300 1 1457 . 131 LYS N N 120.189 0.200 1 1458 . 131 LYS H H 7.776 0.030 1 1459 . 131 LYS CA C 55.963 0.300 1 1460 . 131 LYS HA H 4.399 0.030 1 1461 . 131 LYS CB C 33.879 0.300 1 1462 . 131 LYS HB2 H 1.730 0.030 2 1463 . 131 LYS HB3 H 1.891 0.030 2 1464 . 131 LYS CG C 24.515 0.300 1 1465 . 131 LYS HG2 H 1.369 0.030 2 1466 . 131 LYS HG3 H 1.430 0.030 2 1467 . 131 LYS CD C 29.149 0.300 1 1468 . 131 LYS HD2 H 1.666 0.030 1 1469 . 131 LYS HD3 H 1.666 0.030 1 1470 . 131 LYS CE C 42.267 0.300 1 1471 . 131 LYS HE2 H 2.980 0.030 1 1472 . 131 LYS HE3 H 2.980 0.030 1 1473 . 131 LYS C C 175.846 0.300 1 1474 . 132 SER N N 115.520 0.200 1 1475 . 132 SER H H 8.066 0.030 1 1476 . 132 SER CA C 58.313 0.300 1 1477 . 132 SER HA H 4.162 0.030 1 1478 . 132 SER CB C 63.787 0.300 1 1479 . 132 SER HB2 H 3.744 0.030 2 1480 . 132 SER HB3 H 3.663 0.030 2 1481 . 132 SER C C 175.852 0.300 1 1482 . 133 GLY N N 110.392 0.200 1 1483 . 133 GLY H H 8.041 0.030 1 1484 . 133 GLY CA C 44.773 0.300 1 1485 . 133 GLY HA2 H 4.028 0.030 1 1486 . 133 GLY HA3 H 4.028 0.030 1 1487 . 134 PRO CA C 63.321 0.300 1 1488 . 134 PRO HA H 4.446 0.030 1 1489 . 134 PRO CB C 32.231 0.300 1 1490 . 134 PRO HB2 H 2.287 0.030 1 1491 . 134 PRO HB3 H 2.287 0.030 1 1492 . 134 PRO CG C 27.230 0.300 1 1493 . 134 PRO HG2 H 2.005 0.030 1 1494 . 134 PRO HG3 H 2.005 0.030 1 1495 . 134 PRO CD C 49.794 0.300 1 1496 . 134 PRO HD2 H 3.601 0.030 2 1497 . 134 PRO HD3 H 3.494 0.030 2 1498 . 135 SER H H 6.478 0.030 1 1499 . 135 SER CA C 64.146 0.300 1 1500 . 135 SER HA H 3.925 0.030 1 1501 . 137 GLY CA C 46.259 0.300 1 1502 . 137 GLY C C 179.092 0.300 1 stop_ save_