data_6337 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Ubiquitin like protein from Mus musculus ; _BMRB_accession_number 6337 _BMRB_flat_file_name bmr6337.str _Entry_type original _Submission_date 2004-10-05 _Accession_date 2004-10-05 _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 Singh Shanteri . . 2 Tonelli Marco . . 3 Tyler Robert C. . 4 Lee Min S. . 5 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 583 "13C chemical shifts" 419 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-10-12 original author . stop_ _Original_release_date 2004-10-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of Ubiquitin like protein from Mus musculus' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singh Shanteri . . 2 Tonelli Marco . . 3 Tyler Robert C. . 4 Lee Min S. . 5 Markley John L. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_molecular_system_AAH26994 _Saveframe_category molecular_system _Mol_system_name AAH26994 _Abbreviation_common AAH26994 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AAH26994 $AAH26994 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_AAH26994 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AAH26994 _Abbreviation_common AAH26994 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; SAAPLCVKVEFGGGAELLFD GVKKHQVALPGQEEPWDIRN LLVWIKKNLLKERPELFIQG DSVRPGILVLINDADWELLG ELDYQLQDQDSILFISTLHG G ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 ALA 4 PRO 5 LEU 6 CYS 7 VAL 8 LYS 9 VAL 10 GLU 11 PHE 12 GLY 13 GLY 14 GLY 15 ALA 16 GLU 17 LEU 18 LEU 19 PHE 20 ASP 21 GLY 22 VAL 23 LYS 24 LYS 25 HIS 26 GLN 27 VAL 28 ALA 29 LEU 30 PRO 31 GLY 32 GLN 33 GLU 34 GLU 35 PRO 36 TRP 37 ASP 38 ILE 39 ARG 40 ASN 41 LEU 42 LEU 43 VAL 44 TRP 45 ILE 46 LYS 47 LYS 48 ASN 49 LEU 50 LEU 51 LYS 52 GLU 53 ARG 54 PRO 55 GLU 56 LEU 57 PHE 58 ILE 59 GLN 60 GLY 61 ASP 62 SER 63 VAL 64 ARG 65 PRO 66 GLY 67 ILE 68 LEU 69 VAL 70 LEU 71 ILE 72 ASN 73 ASP 74 ALA 75 ASP 76 TRP 77 GLU 78 LEU 79 LEU 80 GLY 81 GLU 82 LEU 83 ASP 84 TYR 85 GLN 86 LEU 87 GLN 88 ASP 89 GLN 90 ASP 91 SER 92 ILE 93 LEU 94 PHE 95 ILE 96 SER 97 THR 98 LEU 99 HIS 100 GLY 101 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 BMRB 11258 "ThiS domain" 99.01 114 100.00 100.00 3.67e-64 PDB 1WGK "Solution Structure Of Mouse Hypothetical Protein 2900073h19rik" 99.01 114 100.00 100.00 3.67e-64 PDB 1XO3 "Solution Structure Of Ubiquitin Like Protein From Mus Musculus" 100.00 101 100.00 100.00 1.83e-64 DBJ BAB31673 "unnamed protein product [Mus musculus]" 99.01 101 100.00 100.00 6.64e-64 DBJ BAC33621 "unnamed protein product [Mus musculus]" 99.01 101 99.00 99.00 7.00e-63 DBJ BAC33956 "unnamed protein product [Mus musculus]" 99.01 101 100.00 100.00 6.64e-64 GB AAH26994 "Ubiquitin related modifier 1 homolog (S. cerevisiae) [Mus musculus]" 99.01 101 100.00 100.00 6.64e-64 GB AAI69094 "Urm1 protein [Rattus norvegicus]" 99.01 101 97.00 98.00 4.09e-62 GB EDL08423 "RIKEN cDNA 2900073H19, isoform CRA_a [Mus musculus]" 99.01 101 100.00 100.00 6.64e-64 GB ELW61997 "Ubiquitin-related modifier 1 like protein [Tupaia chinensis]" 88.12 136 97.75 98.88 3.01e-54 GB EPY83293 "ubiquitin-related modifier 1-like protein [Camelus ferus]" 99.01 120 97.00 98.00 2.87e-61 REF NP_001131034 "ubiquitin-related modifier 1 [Rattus norvegicus]" 99.01 101 97.00 98.00 4.09e-62 REF NP_080891 "ubiquitin-related modifier 1 [Mus musculus]" 99.01 101 100.00 100.00 6.64e-64 REF XP_001500842 "PREDICTED: ubiquitin-related modifier 1 homolog [Equus caballus]" 99.01 101 97.00 98.00 1.67e-61 REF XP_006154072 "PREDICTED: ubiquitin-related modifier 1 isoform X1 [Tupaia chinensis]" 88.12 115 97.75 98.88 1.99e-54 REF XP_006154073 "PREDICTED: ubiquitin-related modifier 1 isoform X2 [Tupaia chinensis]" 88.12 111 97.75 98.88 2.92e-54 SP Q9D2P4 "RecName: Full=Ubiquitin-related modifier 1 [Mus musculus]" 99.01 101 100.00 100.00 6.64e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AAH26994 'Mus musculus' 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_name $AAH26994 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $AAH26994 1 mM 1 1.1 '[U-15N; U-13C]' 'Bis-Tris buffer' 5 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15-1H_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15-1H HSQC' _Sample_label . save_ save_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_HBHACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_HCCONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_CCONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label . save_ save_CCOTOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCOTOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15-1H HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCOTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details ; Buffer conditions: 5mM Bis-Tris buffer ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 298 1 K 'ionic strength' 0.05 0.005 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_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 AAH26994 _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 . 1 SER CA C 55.413 0.3 1 2 . 1 SER HA H 4.475 0.03 1 3 . 1 SER CB C 66.596 0.3 1 4 . 1 SER C C 176.749 0.3 1 5 . 2 ALA N N 126.362 0.3 1 6 . 2 ALA H H 8.289 0.03 1 7 . 2 ALA CA C 52.013 0.3 1 8 . 2 ALA HA H 4.492 0.03 1 9 . 2 ALA CB C 20.032 0.3 1 10 . 2 ALA HB H 1.343 0.03 1 11 . 2 ALA C C 176.749 0.3 1 12 . 3 ALA N N 126.340 0.3 1 13 . 3 ALA H H 8.245 0.03 1 14 . 3 ALA CA C 50.648 0.3 1 15 . 3 ALA HA H 4.611 0.03 1 16 . 3 ALA CB C 18.433 0.3 1 17 . 3 ALA HB H 1.400 0.03 1 18 . 4 PRO CA C 62.871 0.3 1 19 . 4 PRO HA H 4.447 0.03 1 20 . 4 PRO CB C 32.507 0.3 1 21 . 4 PRO HB3 H 2.296 0.03 2 22 . 4 PRO HB2 H 1.774 0.03 2 23 . 4 PRO CG C 27.373 0.3 1 24 . 4 PRO HG3 H 2.366 0.03 2 25 . 4 PRO HG2 H 1.988 0.03 2 26 . 4 PRO CD C 50.360 0.3 1 27 . 4 PRO HD3 H 3.666 0.03 2 28 . 4 PRO HD2 H 3.764 0.03 2 29 . 4 PRO C C 175.772 0.3 1 30 . 5 LEU N N 121.324 0.3 1 31 . 5 LEU H H 8.076 0.03 1 32 . 5 LEU CA C 54.667 0.3 1 33 . 5 LEU HA H 4.554 0.03 1 34 . 5 LEU CB C 45.003 0.3 1 35 . 5 LEU HB3 H 1.393 0.03 1 36 . 5 LEU HB2 H 1.393 0.03 1 37 . 5 LEU HG H 1.395 0.03 1 38 . 5 LEU CD1 C 26.217 0.3 1 39 . 5 LEU HD1 H 0.663 0.03 2 40 . 5 LEU CD2 C 22.960 0.3 1 41 . 5 LEU HD2 H 0.854 0.03 2 42 . 5 LEU C C 174.718 0.3 1 43 . 6 CYS N N 122.707 0.3 1 44 . 6 CYS H H 8.811 0.03 1 45 . 6 CYS CA C 57.487 0.3 1 46 . 6 CYS HA H 5.259 0.03 1 47 . 6 CYS CB C 28.617 0.3 1 48 . 6 CYS HB3 H 2.752 0.03 1 49 . 6 CYS HB2 H 2.752 0.03 1 50 . 6 CYS C C 174.026 0.3 1 51 . 7 VAL N N 118.792 0.3 1 52 . 7 VAL H H 8.613 0.03 1 53 . 7 VAL CA C 59.046 0.3 1 54 . 7 VAL HA H 4.728 0.03 1 55 . 7 VAL CB C 35.382 0.3 1 56 . 7 VAL HB H 1.971 0.03 1 57 . 7 VAL CG2 C 19.118 0.3 1 58 . 7 VAL HG2 H 0.473 0.03 2 59 . 7 VAL CG1 C 22.575 0.3 1 60 . 7 VAL HG1 H 0.771 0.03 2 61 . 7 VAL C C 173.920 0.3 1 62 . 8 LYS N N 123.367 0.3 1 63 . 8 LYS H H 8.772 0.03 1 64 . 8 LYS CA C 55.401 0.3 1 65 . 8 LYS HA H 4.877 0.03 1 66 . 8 LYS CB C 33.284 0.3 1 67 . 8 LYS HB3 H 1.844 0.03 2 68 . 8 LYS HB2 H 1.712 0.03 2 69 . 8 LYS CG C 25.041 0.3 1 70 . 8 LYS HG3 H 1.368 0.03 2 71 . 8 LYS HG2 H 1.291 0.03 2 72 . 8 LYS CD C 29.310 0.3 1 73 . 8 LYS HD3 H 1.618 0.03 2 74 . 8 LYS HD2 H 1.570 0.03 2 75 . 8 LYS CE C 42.184 0.3 1 76 . 8 LYS HE3 H 2.861 0.03 1 77 . 8 LYS HE2 H 2.861 0.03 1 78 . 8 LYS C C 174.792 0.3 1 79 . 9 VAL N N 122.525 0.3 1 80 . 9 VAL H H 8.615 0.03 1 81 . 9 VAL CA C 60.282 0.3 1 82 . 9 VAL HA H 4.916 0.03 1 83 . 9 VAL CB C 34.661 0.3 1 84 . 9 VAL HB H 1.616 0.03 1 85 . 9 VAL CG2 C 22.255 0.3 1 86 . 9 VAL HG2 H 0.760 0.03 2 87 . 9 VAL CG1 C 23.064 0.3 1 88 . 9 VAL HG1 H 0.486 0.03 2 89 . 9 VAL C C 173.576 0.3 1 90 . 10 GLU N N 128.177 0.3 1 91 . 10 GLU H H 8.797 0.03 1 92 . 10 GLU CA C 52.985 0.3 1 93 . 10 GLU HA H 5.557 0.03 1 94 . 10 GLU CB C 33.225 0.3 1 95 . 10 GLU HB3 H 1.741 0.03 2 96 . 10 GLU HB2 H 1.800 0.03 2 97 . 10 GLU CG C 36.846 0.3 1 98 . 10 GLU HG3 H 2.106 0.03 2 99 . 10 GLU HG2 H 1.979 0.03 2 100 . 10 GLU C C 173.085 0.3 1 101 . 11 PHE N N 122.619 0.3 1 102 . 11 PHE H H 8.920 0.03 1 103 . 11 PHE CA C 56.163 0.3 1 104 . 11 PHE HA H 5.730 0.03 1 105 . 11 PHE CB C 42.491 0.3 1 106 . 11 PHE HB3 H 2.673 0.03 2 107 . 11 PHE HB2 H 2.977 0.03 2 108 . 11 PHE HD1 H 6.924 0.03 3 109 . 11 PHE C C 176.156 0.3 1 110 . 12 GLY N N 107.498 0.3 1 111 . 12 GLY H H 9.220 0.03 1 112 . 12 GLY CA C 44.916 0.3 1 113 . 12 GLY HA3 H 5.109 0.03 2 114 . 12 GLY HA2 H 3.988 0.03 2 115 . 12 GLY C C 179.833 0.3 1 116 . 13 GLY N N 108.041 0.3 1 117 . 13 GLY H H 6.135 0.03 1 118 . 13 GLY CA C 46.366 0.3 1 119 . 13 GLY HA3 H 4.033 0.03 2 120 . 13 GLY HA2 H 4.636 0.03 2 121 . 13 GLY C C 173.295 0.3 1 122 . 14 GLY N N 109.058 0.3 1 123 . 14 GLY H H 9.265 0.03 1 124 . 14 GLY CA C 44.450 0.3 1 125 . 14 GLY HA3 H 4.666 0.03 2 126 . 14 GLY HA2 H 3.464 0.03 2 127 . 14 GLY C C 177.489 0.3 1 128 . 15 ALA N N 125.368 0.3 1 129 . 15 ALA H H 7.869 0.03 1 130 . 15 ALA CA C 54.867 0.3 1 131 . 15 ALA HA H 4.170 0.03 1 132 . 15 ALA CB C 17.547 0.3 1 133 . 15 ALA HB H 1.815 0.03 1 134 . 15 ALA C C 178.261 0.3 1 135 . 16 GLU N N 117.355 0.3 1 136 . 16 GLU H H 11.016 0.03 1 137 . 16 GLU CA C 58.920 0.3 1 138 . 16 GLU HA H 4.016 0.03 1 139 . 16 GLU CB C 26.942 0.3 1 140 . 16 GLU HB3 H 1.548 0.03 2 141 . 16 GLU HB2 H 2.234 0.03 2 142 . 16 GLU CG C 34.451 0.3 1 143 . 16 GLU HG3 H 2.035 0.03 2 144 . 16 GLU HG2 H 2.333 0.03 2 145 . 16 GLU C C 178.478 0.3 1 146 . 17 LEU N N 123.748 0.3 1 147 . 17 LEU H H 7.696 0.03 1 148 . 17 LEU CA C 56.862 0.3 1 149 . 17 LEU HA H 3.999 0.03 1 150 . 17 LEU CB C 40.308 0.3 1 151 . 17 LEU HB3 H 1.819 0.03 2 152 . 17 LEU HB2 H 1.577 0.03 2 153 . 17 LEU CG C 27.545 0.3 1 154 . 17 LEU HG H 1.644 0.03 1 155 . 17 LEU CD1 C 24.912 0.3 1 156 . 17 LEU HD1 H 0.969 0.03 2 157 . 17 LEU CD2 C 22.105 0.3 1 158 . 17 LEU HD2 H 0.875 0.03 2 159 . 17 LEU C C 178.040 0.3 1 160 . 18 LEU N N 117.858 0.3 1 161 . 18 LEU H H 7.624 0.03 1 162 . 18 LEU CA C 54.877 0.3 1 163 . 18 LEU HA H 3.939 0.03 1 164 . 18 LEU CB C 39.735 0.3 1 165 . 18 LEU HB3 H 0.876 0.03 2 166 . 18 LEU HB2 H 1.215 0.03 2 167 . 18 LEU CG C 26.989 0.3 1 168 . 18 LEU HG H 1.568 0.03 1 169 . 18 LEU CD1 C 25.737 0.3 1 170 . 18 LEU HD1 H 0.762 0.03 2 171 . 18 LEU CD2 C 22.468 0.3 1 172 . 18 LEU HD2 H 0.670 0.03 2 173 . 18 LEU C C 174.534 0.3 1 174 . 19 PHE N N 118.349 0.3 1 175 . 19 PHE H H 7.191 0.03 1 176 . 19 PHE CA C 56.137 0.3 1 177 . 19 PHE HA H 4.347 0.03 1 178 . 19 PHE CB C 39.018 0.3 1 179 . 19 PHE HB3 H 3.134 0.03 2 180 . 19 PHE HB2 H 2.563 0.03 2 181 . 19 PHE HD1 H 6.447 0.03 3 182 . 19 PHE HE1 H 5.835 0.03 3 183 . 19 PHE C C 176.986 0.3 1 184 . 20 ASP N N 121.256 0.3 1 185 . 20 ASP H H 9.025 0.03 1 186 . 20 ASP CA C 55.433 0.3 1 187 . 20 ASP HA H 4.446 0.03 1 188 . 20 ASP CB C 40.469 0.3 1 189 . 20 ASP HB3 H 2.578 0.03 2 190 . 20 ASP HB2 H 3.210 0.03 2 191 . 20 ASP C C 175.286 0.3 1 192 . 21 GLY N N 102.624 0.3 1 193 . 21 GLY H H 7.806 0.03 1 194 . 21 GLY CA C 45.688 0.3 1 195 . 21 GLY HA3 H 3.077 0.03 2 196 . 21 GLY HA2 H 4.192 0.03 2 197 . 21 GLY C C 173.481 0.3 1 198 . 22 VAL N N 122.416 0.3 1 199 . 22 VAL H H 7.463 0.03 1 200 . 22 VAL CA C 63.195 0.3 1 201 . 22 VAL HA H 3.912 0.03 1 202 . 22 VAL CB C 31.493 0.3 1 203 . 22 VAL HB H 2.285 0.03 1 204 . 22 VAL CG2 C 21.147 0.3 1 205 . 22 VAL HG2 H 0.588 0.03 2 206 . 22 VAL CG1 C 20.933 0.3 1 207 . 22 VAL HG1 H 1.041 0.03 2 208 . 22 VAL C C 176.287 0.3 1 209 . 23 LYS N N 126.959 0.3 1 210 . 23 LYS H H 8.425 0.03 1 211 . 23 LYS CA C 60.044 0.3 1 212 . 23 LYS HA H 4.466 0.03 1 213 . 23 LYS CB C 34.341 0.3 1 214 . 23 LYS HB3 H 1.843 0.03 2 215 . 23 LYS HB2 H 2.199 0.03 2 216 . 23 LYS CG C 26.513 0.3 1 217 . 23 LYS HG3 H 1.541 0.03 2 218 . 23 LYS HG2 H 1.664 0.03 2 219 . 23 LYS CD C 29.620 0.3 1 220 . 23 LYS HD3 H 1.835 0.03 2 221 . 23 LYS HD2 H 1.902 0.03 2 222 . 23 LYS CE C 42.252 0.3 1 223 . 23 LYS HE3 H 2.956 0.03 1 224 . 23 LYS HE2 H 2.956 0.03 1 225 . 23 LYS C C 176.447 0.3 1 226 . 24 LYS N N 115.825 0.3 1 227 . 24 LYS H H 7.574 0.03 1 228 . 24 LYS CA C 56.631 0.3 1 229 . 24 LYS HA H 4.905 0.03 1 230 . 24 LYS CB C 34.847 0.3 1 231 . 24 LYS HB3 H 1.749 0.03 2 232 . 24 LYS HB2 H 1.622 0.03 2 233 . 24 LYS CG C 25.476 0.3 1 234 . 24 LYS HG3 H 1.207 0.03 2 235 . 24 LYS HG2 H 1.325 0.03 2 236 . 24 LYS CD C 29.522 0.3 1 237 . 24 LYS HD3 H 1.614 0.03 2 238 . 24 LYS HD2 H 1.579 0.03 2 239 . 24 LYS CE C 41.917 0.3 1 240 . 24 LYS HE3 H 2.902 0.03 1 241 . 24 LYS HE2 H 2.902 0.03 1 242 . 24 LYS C C 174.936 0.3 1 243 . 25 HIS N N 122.461 0.3 1 244 . 25 HIS H H 9.111 0.03 1 245 . 25 HIS CA C 55.255 0.3 1 246 . 25 HIS HA H 4.506 0.03 1 247 . 25 HIS CB C 34.244 0.3 1 248 . 25 HIS HB3 H 2.837 0.03 1 249 . 25 HIS HB2 H 2.837 0.03 1 250 . 25 HIS C C 174.474 0.3 1 251 . 26 GLN N N 125.252 0.3 1 252 . 26 GLN H H 8.969 0.03 1 253 . 26 GLN CA C 55.683 0.3 1 254 . 26 GLN HA H 4.712 0.03 1 255 . 26 GLN CB C 29.192 0.3 1 256 . 26 GLN HB3 H 1.960 0.03 2 257 . 26 GLN HB2 H 2.012 0.03 2 258 . 26 GLN CG C 34.174 0.3 1 259 . 26 GLN HG3 H 2.186 0.03 2 260 . 26 GLN C C 174.954 0.3 1 261 . 27 VAL N N 126.534 0.3 1 262 . 27 VAL H H 8.783 0.03 1 263 . 27 VAL CA C 61.557 0.3 1 264 . 27 VAL HA H 4.119 0.03 1 265 . 27 VAL CB C 33.888 0.3 1 266 . 27 VAL HB H 1.675 0.03 1 267 . 27 VAL CG2 C 20.587 0.3 1 268 . 27 VAL HG2 H 0.050 0.03 2 269 . 27 VAL CG1 C 20.661 0.3 1 270 . 27 VAL HG1 H 0.647 0.03 2 271 . 27 VAL C C 172.907 0.3 1 272 . 28 ALA N N 130.646 0.3 1 273 . 28 ALA H H 8.132 0.03 1 274 . 28 ALA CA C 50.164 0.3 1 275 . 28 ALA HA H 4.721 0.03 1 276 . 28 ALA CB C 18.579 0.3 1 277 . 28 ALA HB H 1.206 0.03 1 278 . 28 ALA C C 175.848 0.3 1 279 . 29 LEU N N 126.271 0.3 1 280 . 29 LEU H H 8.526 0.03 1 281 . 29 LEU CA C 51.290 0.3 1 282 . 29 LEU HA H 3.895 0.03 1 283 . 29 LEU CB C 39.698 0.3 1 284 . 29 LEU HB3 H 0.805 0.03 2 285 . 29 LEU HB2 H -0.426 0.03 2 286 . 29 LEU CG C 24.649 0.3 1 287 . 29 LEU HG H -0.423 0.03 1 288 . 29 LEU CD1 C 19.930 0.3 1 289 . 29 LEU HD1 H -1.243 0.03 2 290 . 30 PRO CA C 62.088 0.3 1 291 . 30 PRO HA H 4.530 0.03 1 292 . 30 PRO CB C 32.579 0.3 1 293 . 30 PRO HB3 H 2.392 0.03 2 294 . 30 PRO HB2 H 2.290 0.03 2 295 . 30 PRO CG C 27.283 0.3 1 296 . 30 PRO HG3 H 2.360 0.03 1 297 . 30 PRO HG2 H 2.360 0.03 1 298 . 30 PRO CD C 50.314 0.3 1 299 . 30 PRO HD3 H 3.764 0.03 2 300 . 30 PRO HD2 H 3.646 0.03 2 301 . 30 PRO C C 176.788 0.3 1 302 . 31 GLY N N 106.339 0.3 1 303 . 31 GLY H H 8.532 0.03 1 304 . 31 GLY CA C 46.044 0.3 1 305 . 31 GLY HA3 H 3.610 0.03 2 306 . 31 GLY HA2 H 4.107 0.03 2 307 . 31 GLY C C 175.397 0.3 1 308 . 32 GLN N N 118.744 0.3 1 309 . 32 GLN H H 8.251 0.03 1 310 . 32 GLN CA C 54.765 0.3 1 311 . 32 GLN HA H 4.744 0.03 1 312 . 32 GLN CB C 30.011 0.3 1 313 . 32 GLN HB3 H 1.870 0.03 2 314 . 32 GLN HB2 H 2.307 0.03 2 315 . 32 GLN CG C 36.242 0.3 1 316 . 32 GLN HG3 H 2.251 0.03 1 317 . 32 GLN HG2 H 2.251 0.03 1 318 . 32 GLN C C 174.624 0.3 1 319 . 33 GLU N N 119.200 0.3 1 320 . 33 GLU H H 8.527 0.03 1 321 . 33 GLU CA C 59.328 0.3 1 322 . 33 GLU HA H 4.029 0.03 1 323 . 33 GLU CB C 30.136 0.3 1 324 . 33 GLU HB3 H 1.944 0.03 2 325 . 33 GLU HB2 H 1.998 0.03 2 326 . 33 GLU CG C 36.293 0.3 1 327 . 33 GLU HG3 H 2.274 0.03 1 328 . 33 GLU HG2 H 2.274 0.03 1 329 . 33 GLU C C 177.148 0.3 1 330 . 34 GLU N N 118.587 0.3 1 331 . 34 GLU H H 7.886 0.03 1 332 . 34 GLU CA C 54.304 0.3 1 333 . 34 GLU HA H 4.489 0.03 1 334 . 34 GLU CB C 29.168 0.3 1 335 . 34 GLU HB3 H 1.613 0.03 2 336 . 34 GLU HB2 H 1.815 0.03 2 337 . 34 GLU CG C 36.090 0.3 1 338 . 34 GLU HG3 H 2.164 0.03 1 339 . 34 GLU HG2 H 2.164 0.03 1 340 . 35 PRO CA C 62.817 0.3 1 341 . 35 PRO HA H 4.289 0.03 1 342 . 35 PRO CB C 32.062 0.3 1 343 . 35 PRO HB3 H 2.231 0.03 2 344 . 35 PRO HB2 H 1.655 0.03 2 345 . 35 PRO CG C 27.767 0.3 1 346 . 35 PRO HG3 H 1.983 0.03 2 347 . 35 PRO HG2 H 2.029 0.03 2 348 . 35 PRO CD C 50.363 0.3 1 349 . 35 PRO HD3 H 3.530 0.03 2 350 . 35 PRO HD2 H 3.799 0.03 2 351 . 35 PRO C C 177.881 0.3 1 352 . 36 TRP N N 123.403 0.3 1 353 . 36 TRP H H 8.602 0.03 1 354 . 36 TRP CA C 58.393 0.3 1 355 . 36 TRP HA H 4.466 0.03 1 356 . 36 TRP CB C 29.909 0.3 1 357 . 36 TRP HB3 H 3.010 0.03 1 358 . 36 TRP HB2 H 3.010 0.03 1 359 . 36 TRP HD1 H 7.190 0.03 1 360 . 36 TRP NE1 N 129.709 0.3 1 361 . 36 TRP HE1 H 10.235 0.03 3 362 . 36 TRP HE3 H 7.334 0.03 3 363 . 36 TRP C C 175.852 0.3 1 364 . 37 ASP N N 124.121 0.3 1 365 . 37 ASP H H 8.142 0.03 1 366 . 37 ASP CA C 51.476 0.3 1 367 . 37 ASP HA H 5.766 0.03 1 368 . 37 ASP CB C 43.153 0.3 1 369 . 37 ASP HB3 H 2.536 0.03 2 370 . 37 ASP HB2 H 3.285 0.03 2 371 . 37 ASP C C 176.590 0.3 1 372 . 38 ILE N N 119.671 0.3 1 373 . 38 ILE H H 7.914 0.03 1 374 . 38 ILE CA C 63.618 0.3 1 375 . 38 ILE HA H 4.158 0.03 1 376 . 38 ILE CB C 34.852 0.3 1 377 . 38 ILE HB H 2.834 0.03 1 378 . 38 ILE CG1 C 29.046 0.3 1 379 . 38 ILE HG13 H 2.147 0.03 4 380 . 38 ILE HG12 H 1.995 0.03 4 381 . 38 ILE CD1 C 10.651 0.3 1 382 . 38 ILE HD1 H 1.020 0.03 1 383 . 38 ILE CG2 C 17.843 0.3 1 384 . 38 ILE HG2 H 1.368 0.03 1 385 . 38 ILE C C 177.481 0.3 1 386 . 39 ARG N N 121.239 0.3 1 387 . 39 ARG H H 8.724 0.03 1 388 . 39 ARG CA C 61.265 0.3 1 389 . 39 ARG HA H 4.017 0.03 1 390 . 39 ARG CB C 30.944 0.3 1 391 . 39 ARG HB3 H 2.191 0.03 2 392 . 39 ARG HB2 H 2.084 0.03 2 393 . 39 ARG CG C 29.023 0.3 1 394 . 39 ARG HG3 H 1.742 0.03 2 395 . 39 ARG HG2 H 1.615 0.03 2 396 . 39 ARG CD C 42.999 0.3 1 397 . 39 ARG HD3 H 3.448 0.03 2 398 . 39 ARG HD2 H 3.340 0.03 2 399 . 39 ARG C C 179.023 0.3 1 400 . 40 ASN N N 117.616 0.3 1 401 . 40 ASN H H 9.133 0.03 1 402 . 40 ASN CA C 56.436 0.3 1 403 . 40 ASN HA H 4.841 0.03 1 404 . 40 ASN CB C 38.874 0.3 1 405 . 40 ASN HB3 H 2.901 0.03 2 406 . 40 ASN HB2 H 3.085 0.03 2 407 . 40 ASN ND2 N 113.440 0.3 1 408 . 40 ASN HD21 H 8.040 0.03 2 409 . 40 ASN HD22 H 6.967 0.03 2 410 . 40 ASN C C 179.434 0.3 1 411 . 41 LEU N N 126.547 0.3 1 412 . 41 LEU H H 9.388 0.03 1 413 . 41 LEU CA C 58.743 0.3 1 414 . 41 LEU HA H 4.624 0.03 1 415 . 41 LEU CB C 41.595 0.3 1 416 . 41 LEU HB3 H 1.833 0.03 2 417 . 41 LEU HB2 H 2.709 0.03 2 418 . 41 LEU CG C 26.835 0.3 1 419 . 41 LEU HG H 1.095 0.03 1 420 . 41 LEU HD1 H 1.099 0.03 2 421 . 41 LEU CD2 C 23.024 0.3 1 422 . 41 LEU HD2 H 0.844 0.03 2 423 . 41 LEU C C 178.801 0.3 1 424 . 42 LEU N N 118.921 0.3 1 425 . 42 LEU H H 8.983 0.03 1 426 . 42 LEU CA C 59.148 0.3 1 427 . 42 LEU HA H 4.150 0.03 1 428 . 42 LEU CB C 41.131 0.3 1 429 . 42 LEU HB3 H 2.320 0.03 2 430 . 42 LEU HB2 H 1.379 0.03 2 431 . 42 LEU CG C 27.622 0.3 1 432 . 42 LEU CD1 C 26.794 0.3 1 433 . 42 LEU HD1 H 1.042 0.03 2 434 . 42 LEU CD2 C 23.467 0.3 1 435 . 42 LEU HD2 H 0.817 0.03 2 436 . 42 LEU C C 179.038 0.3 1 437 . 43 VAL N N 118.840 0.3 1 438 . 43 VAL H H 7.224 0.03 1 439 . 43 VAL CA C 67.074 0.3 1 440 . 43 VAL HA H 3.656 0.03 1 441 . 43 VAL CB C 31.782 0.3 1 442 . 43 VAL HB H 2.558 0.03 1 443 . 43 VAL CG2 C 22.517 0.3 1 444 . 43 VAL HG2 H 1.243 0.03 2 445 . 43 VAL CG1 C 21.587 0.3 1 446 . 43 VAL HG1 H 1.114 0.03 2 447 . 43 VAL C C 177.666 0.3 1 448 . 44 TRP N N 121.777 0.3 1 449 . 44 TRP H H 8.376 0.03 1 450 . 44 TRP CA C 63.279 0.3 1 451 . 44 TRP HA H 4.087 0.03 1 452 . 44 TRP CB C 29.413 0.3 1 453 . 44 TRP HB3 H 3.660 0.03 2 454 . 44 TRP HB2 H 3.879 0.03 2 455 . 44 TRP HD1 H 7.312 0.03 1 456 . 44 TRP NE1 N 128.727 0.3 1 457 . 44 TRP HE1 H 10.213 0.03 3 458 . 44 TRP HZ2 H 6.840 0.03 3 459 . 44 TRP HE3 H 7.006 0.03 3 460 . 44 TRP C C 180.389 0.3 1 461 . 45 ILE N N 120.566 0.3 1 462 . 45 ILE H H 9.683 0.03 1 463 . 45 ILE CA C 66.596 0.3 1 464 . 45 ILE HA H 3.568 0.03 1 465 . 45 ILE CB C 38.575 0.3 1 466 . 45 ILE HB H 2.313 0.03 1 467 . 45 ILE CG1 C 29.788 0.3 1 468 . 45 ILE HG13 H 1.169 0.03 2 469 . 45 ILE HG12 H 2.539 0.03 2 470 . 45 ILE CD1 C 14.989 0.3 1 471 . 45 ILE HD1 H 0.997 0.03 1 472 . 45 ILE CG2 C 18.189 0.3 1 473 . 45 ILE HG2 H 0.962 0.03 1 474 . 45 ILE C C 178.441 0.3 1 475 . 46 LYS N N 122.578 0.3 1 476 . 46 LYS H H 8.664 0.03 1 477 . 46 LYS CA C 59.846 0.3 1 478 . 46 LYS HA H 3.978 0.03 1 479 . 46 LYS CB C 32.256 0.3 1 480 . 46 LYS HB3 H 2.018 0.03 2 481 . 46 LYS HB2 H 2.177 0.03 2 482 . 46 LYS CG C 24.862 0.3 1 483 . 46 LYS HG3 H 1.470 0.03 2 484 . 46 LYS HG2 H 1.541 0.03 2 485 . 46 LYS CD C 29.891 0.3 1 486 . 46 LYS HD3 H 1.775 0.03 2 487 . 46 LYS HD2 H 1.705 0.03 2 488 . 46 LYS CE C 41.989 0.3 1 489 . 46 LYS HE3 H 2.960 0.03 1 490 . 46 LYS HE2 H 2.960 0.03 1 491 . 46 LYS C C 176.790 0.3 1 492 . 47 LYS N N 114.997 0.3 1 493 . 47 LYS H H 7.815 0.03 1 494 . 47 LYS CA C 58.366 0.3 1 495 . 47 LYS HA H 4.104 0.03 1 496 . 47 LYS CB C 33.804 0.3 1 497 . 47 LYS HB3 H 1.684 0.03 1 498 . 47 LYS HB2 H 1.684 0.03 1 499 . 47 LYS CG C 25.385 0.3 1 500 . 47 LYS HG3 H 1.341 0.03 2 501 . 47 LYS HG2 H 1.528 0.03 2 502 . 47 LYS CD C 29.234 0.3 1 503 . 47 LYS HD3 H 1.617 0.03 2 504 . 47 LYS HD2 H 1.668 0.03 2 505 . 47 LYS CE C 42.147 0.3 1 506 . 47 LYS HE3 H 2.944 0.03 1 507 . 47 LYS HE2 H 2.944 0.03 1 508 . 47 LYS C C 177.817 0.3 1 509 . 48 ASN N N 112.414 0.3 1 510 . 48 ASN H H 7.882 0.03 1 511 . 48 ASN CA C 55.123 0.3 1 512 . 48 ASN HA H 4.553 0.03 1 513 . 48 ASN CB C 40.663 0.3 1 514 . 48 ASN HB3 H 1.801 0.03 1 515 . 48 ASN HB2 H 1.801 0.03 1 516 . 48 ASN C C 174.617 0.3 1 517 . 49 LEU N N 117.547 0.3 1 518 . 49 LEU H H 8.117 0.03 1 519 . 49 LEU CA C 55.221 0.3 1 520 . 49 LEU HA H 4.688 0.03 1 521 . 49 LEU CB C 45.863 0.3 1 522 . 49 LEU HB3 H 1.698 0.03 2 523 . 49 LEU HB2 H 1.615 0.03 2 524 . 49 LEU CG C 27.103 0.3 1 525 . 49 LEU HG H 1.623 0.03 1 526 . 49 LEU CD1 C 24.549 0.3 1 527 . 49 LEU HD1 H 0.771 0.03 2 528 . 49 LEU CD2 C 22.836 0.3 1 529 . 49 LEU HD2 H 0.810 0.03 2 530 . 49 LEU C C 176.176 0.3 1 531 . 50 LEU N N 119.751 0.3 1 532 . 50 LEU H H 7.312 0.03 1 533 . 50 LEU CA C 56.432 0.3 1 534 . 50 LEU HA H 3.496 0.03 1 535 . 50 LEU CB C 43.124 0.3 1 536 . 50 LEU HB3 H 1.100 0.03 2 537 . 50 LEU HB2 H 1.933 0.03 2 538 . 50 LEU CG C 26.879 0.3 1 539 . 50 LEU HG H 1.339 0.03 1 540 . 50 LEU CD1 C 24.679 0.3 1 541 . 50 LEU HD1 H 0.340 0.03 2 542 . 50 LEU CD2 C 24.682 0.3 1 543 . 50 LEU HD2 H 0.690 0.03 2 544 . 50 LEU C C 176.198 0.3 1 545 . 51 LYS N N 125.112 0.3 1 546 . 51 LYS H H 8.028 0.03 1 547 . 51 LYS CA C 55.455 0.3 1 548 . 51 LYS HA H 4.365 0.03 1 549 . 51 LYS CB C 32.925 0.3 1 550 . 51 LYS HB3 H 1.721 0.03 2 551 . 51 LYS HB2 H 1.789 0.03 2 552 . 51 LYS CG C 23.735 0.3 1 553 . 51 LYS HG3 H 1.377 0.03 2 554 . 51 LYS HG2 H 1.409 0.03 2 555 . 51 LYS CD C 28.078 0.3 1 556 . 51 LYS HD3 H 1.598 0.03 2 557 . 51 LYS HD2 H 1.759 0.03 2 558 . 51 LYS CE C 42.397 0.3 1 559 . 51 LYS HE3 H 2.947 0.03 1 560 . 51 LYS HE2 H 2.947 0.03 1 561 . 51 LYS C C 176.379 0.3 1 562 . 52 GLU N N 117.508 0.3 1 563 . 52 GLU H H 6.920 0.03 1 564 . 52 GLU CA C 54.657 0.3 1 565 . 52 GLU HA H 4.457 0.03 1 566 . 52 GLU CB C 33.221 0.3 1 567 . 52 GLU HB3 H 1.571 0.03 2 568 . 52 GLU HB2 H 2.171 0.03 2 569 . 52 GLU CG C 36.141 0.3 1 570 . 52 GLU HG3 H 2.163 0.03 2 571 . 52 GLU HG2 H 2.261 0.03 2 572 . 52 GLU C C 173.668 0.3 1 573 . 53 ARG N N 115.834 0.3 1 574 . 53 ARG H H 8.706 0.03 1 575 . 53 ARG CA C 55.282 0.3 1 576 . 53 ARG HA H 4.245 0.03 1 577 . 53 ARG CB C 29.504 0.3 1 578 . 53 ARG HB3 H 1.836 0.03 1 579 . 53 ARG HB2 H 1.836 0.03 1 580 . 53 ARG CG C 27.158 0.3 1 581 . 53 ARG HG3 H 1.700 0.03 1 582 . 53 ARG HG2 H 1.700 0.03 1 583 . 53 ARG CD C 43.527 0.3 1 584 . 53 ARG HD3 H 3.224 0.03 1 585 . 53 ARG HD2 H 3.224 0.03 1 586 . 54 PRO CA C 65.365 0.3 1 587 . 54 PRO HA H 4.204 0.03 1 588 . 54 PRO CB C 31.167 0.3 1 589 . 54 PRO HB3 H 2.125 0.03 2 590 . 54 PRO HB2 H 2.069 0.03 2 591 . 54 PRO CG C 27.583 0.3 1 592 . 54 PRO HG3 H 2.040 0.03 2 593 . 54 PRO HG2 H 2.125 0.03 2 594 . 54 PRO CD C 50.721 0.3 1 595 . 54 PRO HD3 H 3.831 0.03 2 596 . 54 PRO HD2 H 3.610 0.03 2 597 . 54 PRO C C 178.183 0.3 1 598 . 55 GLU N N 118.335 0.3 1 599 . 55 GLU H H 9.829 0.03 1 600 . 55 GLU CA C 58.277 0.3 1 601 . 55 GLU HA H 4.625 0.03 1 602 . 55 GLU CB C 27.555 0.3 1 603 . 55 GLU HB3 H 2.083 0.03 2 604 . 55 GLU HB2 H 2.152 0.03 2 605 . 55 GLU CG C 35.630 0.3 1 606 . 55 GLU HG3 H 2.428 0.03 2 607 . 55 GLU HG2 H 2.147 0.03 2 608 . 55 GLU C C 177.239 0.3 1 609 . 56 LEU N N 119.843 0.3 1 610 . 56 LEU H H 7.910 0.03 1 611 . 56 LEU CA C 55.784 0.3 1 612 . 56 LEU HA H 4.285 0.03 1 613 . 56 LEU CB C 41.458 0.3 1 614 . 56 LEU HB3 H 1.917 0.03 2 615 . 56 LEU HB2 H 1.624 0.03 2 616 . 56 LEU CG C 27.792 0.3 1 617 . 56 LEU HG H 1.598 0.03 1 618 . 56 LEU CD1 C 25.616 0.3 1 619 . 56 LEU HD1 H 1.071 0.03 2 620 . 56 LEU CD2 C 22.089 0.3 1 621 . 56 LEU HD2 H 0.834 0.03 2 622 . 56 LEU C C 175.397 0.3 1 623 . 57 PHE N N 118.766 0.3 1 624 . 57 PHE H H 8.252 0.03 1 625 . 57 PHE CA C 58.782 0.3 1 626 . 57 PHE HA H 4.829 0.03 1 627 . 57 PHE CB C 44.616 0.3 1 628 . 57 PHE HB3 H 2.745 0.03 2 629 . 57 PHE HB2 H 2.894 0.03 2 630 . 57 PHE HD1 H 7.066 0.03 3 631 . 57 PHE C C 172.915 0.3 1 632 . 58 ILE N N 118.494 0.3 1 633 . 58 ILE H H 8.507 0.03 1 634 . 58 ILE CA C 58.571 0.3 1 635 . 58 ILE HA H 4.448 0.03 1 636 . 58 ILE CB C 40.925 0.3 1 637 . 58 ILE HB H 1.639 0.03 1 638 . 58 ILE CG1 C 27.683 0.3 1 639 . 58 ILE HG13 H 1.371 0.03 2 640 . 58 ILE HG12 H 1.211 0.03 4 641 . 58 ILE CD1 C 13.272 0.3 1 642 . 58 ILE HD1 H 0.842 0.03 1 643 . 58 ILE CG2 C 17.975 0.3 1 644 . 58 ILE HG2 H 0.782 0.03 1 645 . 58 ILE C C 175.863 0.3 1 646 . 59 GLN N N 126.488 0.3 1 647 . 59 GLN H H 8.335 0.03 1 648 . 59 GLN CA C 55.335 0.3 1 649 . 59 GLN HA H 4.437 0.03 1 650 . 59 GLN CB C 31.931 0.3 1 651 . 59 GLN HB3 H 1.760 0.03 2 652 . 59 GLN HB2 H 1.924 0.03 2 653 . 59 GLN CG C 34.189 0.3 1 654 . 59 GLN HG3 H 2.235 0.03 2 655 . 59 GLN HG2 H 2.197 0.03 2 656 . 59 GLN NE2 N 111.477 0.3 1 657 . 59 GLN HE21 H 7.597 0.03 2 658 . 59 GLN HE22 H 6.872 0.03 2 659 . 59 GLN C C 175.016 0.3 1 660 . 60 GLY N N 118.740 0.3 1 661 . 60 GLY H H 9.158 0.03 1 662 . 60 GLY CA C 47.086 0.3 1 663 . 60 GLY HA3 H 4.004 0.03 2 664 . 60 GLY HA2 H 3.625 0.03 2 665 . 61 ASP N N 125.931 0.3 1 666 . 61 ASP H H 8.712 0.03 1 667 . 61 ASP CA C 53.659 0.3 1 668 . 61 ASP HA H 4.553 0.03 1 669 . 61 ASP CB C 41.596 0.3 1 670 . 61 ASP HB3 H 2.735 0.03 2 671 . 61 ASP HB2 H 2.778 0.03 2 672 . 61 ASP CG C 176.989 0.3 1 673 . 61 ASP C C 173.923 0.3 1 674 . 62 SER N N 112.108 0.3 1 675 . 62 SER H H 7.703 0.03 1 676 . 62 SER CA C 54.067 0.3 1 677 . 62 SER HA H 4.960 0.03 1 678 . 62 SER CB C 65.150 0.3 1 679 . 62 SER HB3 H 3.812 0.03 2 680 . 62 SER HB2 H 4.015 0.03 2 681 . 62 SER C C 175.587 0.3 1 682 . 63 VAL N N 111.176 0.3 1 683 . 63 VAL H H 8.195 0.03 1 684 . 63 VAL CA C 59.982 0.3 1 685 . 63 VAL HA H 4.491 0.03 1 686 . 63 VAL CB C 33.293 0.3 1 687 . 63 VAL HB H 1.934 0.03 1 688 . 63 VAL CG2 C 23.146 0.3 1 689 . 63 VAL HG2 H 0.566 0.03 2 690 . 63 VAL CG1 C 18.556 0.3 1 691 . 63 VAL HG1 H 0.801 0.03 2 692 . 63 VAL C C 176.663 0.3 1 693 . 64 ARG N N 122.767 0.3 1 694 . 64 ARG H H 7.753 0.03 1 695 . 64 ARG CA C 54.538 0.3 1 696 . 64 ARG HA H 4.164 0.03 1 697 . 64 ARG CB C 29.764 0.3 1 698 . 64 ARG HB3 H 2.305 0.03 2 699 . 64 ARG HB2 H 1.866 0.03 2 700 . 64 ARG CG C 25.944 0.3 1 701 . 64 ARG HG3 H 1.552 0.03 2 702 . 64 ARG HG2 H 1.485 0.03 2 703 . 64 ARG CD C 43.835 0.3 1 704 . 64 ARG HD3 H 2.973 0.03 2 705 . 64 ARG HD2 H 3.192 0.03 2 706 . 65 PRO CA C 64.146 0.3 1 707 . 65 PRO HA H 4.406 0.03 1 708 . 65 PRO CB C 31.514 0.3 1 709 . 65 PRO HB3 H 2.352 0.03 2 710 . 65 PRO HB2 H 1.841 0.03 2 711 . 65 PRO CG C 28.124 0.3 1 712 . 65 PRO HG3 H 2.155 0.03 2 713 . 65 PRO HG2 H 2.071 0.03 2 714 . 65 PRO CD C 50.672 0.3 1 715 . 65 PRO HD3 H 3.610 0.03 2 716 . 65 PRO HD2 H 3.819 0.03 2 717 . 65 PRO C C 177.316 0.3 1 718 . 66 GLY N N 112.328 0.3 1 719 . 66 GLY H H 8.874 0.03 1 720 . 66 GLY CA C 44.559 0.3 1 721 . 66 GLY HA3 H 4.415 0.03 2 722 . 66 GLY HA2 H 3.548 0.03 2 723 . 66 GLY C C 174.561 0.3 1 724 . 67 ILE N N 122.573 0.3 1 725 . 67 ILE H H 7.897 0.03 1 726 . 67 ILE CA C 60.175 0.3 1 727 . 67 ILE HA H 4.819 0.03 1 728 . 67 ILE CB C 37.134 0.3 1 729 . 67 ILE HB H 2.063 0.03 1 730 . 67 ILE CG1 C 27.963 0.3 1 731 . 67 ILE HG13 H 1.600 0.03 4 732 . 67 ILE HG12 H 1.240 0.03 2 733 . 67 ILE CD1 C 12.251 0.3 1 734 . 67 ILE HD1 H 1.055 0.03 1 735 . 67 ILE CG2 C 17.333 0.3 1 736 . 67 ILE HG2 H 0.899 0.03 1 737 . 67 ILE C C 174.790 0.3 1 738 . 68 LEU N N 129.540 0.3 1 739 . 68 LEU H H 9.191 0.03 1 740 . 68 LEU CA C 53.888 0.3 1 741 . 68 LEU HA H 4.496 0.03 1 742 . 68 LEU CB C 42.927 0.3 1 743 . 68 LEU HB3 H 1.620 0.03 2 744 . 68 LEU HB2 H 1.528 0.03 2 745 . 68 LEU CG C 26.929 0.3 1 746 . 68 LEU HG H 1.664 0.03 1 747 . 68 LEU CD1 C 24.948 0.3 1 748 . 68 LEU HD1 H 0.338 0.03 2 749 . 68 LEU CD2 C 23.051 0.3 1 750 . 68 LEU HD2 H 0.866 0.03 2 751 . 68 LEU C C 175.501 0.3 1 752 . 69 VAL N N 120.593 0.3 1 753 . 69 VAL H H 7.228 0.03 1 754 . 69 VAL CA C 60.782 0.3 1 755 . 69 VAL HA H 4.394 0.03 1 756 . 69 VAL CB C 31.947 0.3 1 757 . 69 VAL HB H -0.105 0.03 1 758 . 69 VAL CG2 C 20.139 0.3 1 759 . 69 VAL HG2 H -0.233 0.03 2 760 . 69 VAL CG1 C 20.362 0.3 1 761 . 69 VAL HG1 H -0.130 0.03 2 762 . 69 VAL C C 174.833 0.3 1 763 . 70 LEU N N 127.514 0.3 1 764 . 70 LEU H H 8.907 0.03 1 765 . 70 LEU CA C 53.108 0.3 1 766 . 70 LEU HA H 5.063 0.03 1 767 . 70 LEU CB C 44.592 0.3 1 768 . 70 LEU HB3 H 1.593 0.03 2 769 . 70 LEU HB2 H 0.923 0.03 2 770 . 70 LEU CG C 28.175 0.3 1 771 . 70 LEU HG H 1.387 0.03 1 772 . 70 LEU CD1 C 25.155 0.3 1 773 . 70 LEU HD1 H 0.710 0.03 2 774 . 70 LEU CD2 C 24.509 0.3 1 775 . 70 LEU HD2 H 0.660 0.03 2 776 . 70 LEU C C 176.163 0.3 1 777 . 71 ILE N N 123.390 0.3 1 778 . 71 ILE H H 9.320 0.03 1 779 . 71 ILE CA C 59.821 0.3 1 780 . 71 ILE HA H 4.406 0.03 1 781 . 71 ILE CB C 38.755 0.3 1 782 . 71 ILE HB H 1.356 0.03 1 783 . 71 ILE CG1 C 27.332 0.3 1 784 . 71 ILE HG13 H 1.250 0.03 4 785 . 71 ILE HG12 H 0.620 0.03 4 786 . 71 ILE CD1 C 14.995 0.3 1 787 . 71 ILE HD1 H 0.548 0.03 1 788 . 71 ILE CG2 C 16.887 0.3 1 789 . 71 ILE HG2 H 0.305 0.03 1 790 . 71 ILE C C 176.049 0.3 1 791 . 72 ASN N N 128.221 0.3 1 792 . 72 ASN H H 9.763 0.03 1 793 . 72 ASN CA C 54.909 0.3 1 794 . 72 ASN HA H 4.291 0.03 1 795 . 72 ASN CB C 37.216 0.3 1 796 . 72 ASN HB3 H 2.748 0.03 2 797 . 72 ASN HB2 H 3.037 0.03 2 798 . 72 ASN ND2 N 117.731 0.3 1 799 . 72 ASN HD21 H 7.448 0.03 2 800 . 72 ASN HD22 H 7.393 0.03 2 801 . 72 ASN C C 174.987 0.3 1 802 . 73 ASP N N 108.488 0.3 1 803 . 73 ASP H H 8.874 0.03 1 804 . 73 ASP CA C 56.799 0.3 1 805 . 73 ASP HA H 3.980 0.03 1 806 . 73 ASP CB C 40.002 0.3 1 807 . 73 ASP HB3 H 2.980 0.03 2 808 . 73 ASP HB2 H 2.859 0.03 2 809 . 73 ASP C C 173.903 0.3 1 810 . 74 ALA N N 123.754 0.3 1 811 . 74 ALA H H 7.953 0.03 1 812 . 74 ALA CA C 50.554 0.3 1 813 . 74 ALA HA H 4.701 0.03 1 814 . 74 ALA CB C 21.133 0.3 1 815 . 74 ALA HB H 1.384 0.03 1 816 . 74 ALA C C 176.137 0.3 1 817 . 75 ASP N N 122.994 0.3 1 818 . 75 ASP H H 8.551 0.03 1 819 . 75 ASP CA C 55.491 0.3 1 820 . 75 ASP HA H 4.521 0.03 1 821 . 75 ASP CB C 42.198 0.3 1 822 . 75 ASP HB3 H 2.713 0.03 2 823 . 75 ASP HB2 H 2.880 0.03 2 824 . 75 ASP C C 178.648 0.3 1 825 . 76 TRP N N 125.440 0.3 1 826 . 76 TRP H H 8.793 0.03 1 827 . 76 TRP CA C 59.281 0.3 1 828 . 76 TRP HA H 4.364 0.03 1 829 . 76 TRP CB C 28.083 0.3 1 830 . 76 TRP HB3 H 3.404 0.03 2 831 . 76 TRP HB2 H 2.869 0.03 2 832 . 76 TRP HD1 H 7.262 0.03 1 833 . 76 TRP NE1 N 131.060 0.3 1 834 . 76 TRP HE1 H 10.487 0.03 3 835 . 76 TRP HZ2 H 7.184 0.03 3 836 . 76 TRP HE3 H 7.800 0.03 3 837 . 76 TRP C C 177.848 0.3 1 838 . 77 GLU N N 126.638 0.3 1 839 . 77 GLU H H 9.526 0.03 1 840 . 77 GLU CA C 59.546 0.3 1 841 . 77 GLU HA H 3.881 0.03 1 842 . 77 GLU CB C 29.160 0.3 1 843 . 77 GLU HB3 H 2.050 0.03 1 844 . 77 GLU HB2 H 2.050 0.03 1 845 . 77 GLU CG C 36.781 0.3 1 846 . 77 GLU HG3 H 2.457 0.03 2 847 . 77 GLU HG2 H 2.166 0.03 2 848 . 77 GLU C C 179.136 0.3 1 849 . 78 LEU N N 118.078 0.3 1 850 . 78 LEU H H 8.154 0.03 1 851 . 78 LEU CA C 55.915 0.3 1 852 . 78 LEU HA H 4.348 0.03 1 853 . 78 LEU CB C 41.948 0.3 1 854 . 78 LEU HB3 H 1.974 0.03 2 855 . 78 LEU HB2 H 1.700 0.03 2 856 . 78 LEU CG C 27.457 0.3 1 857 . 78 LEU HG H 1.780 0.03 1 858 . 78 LEU CD1 C 25.505 0.3 1 859 . 78 LEU HD1 H 1.069 0.03 2 860 . 78 LEU CD2 C 22.595 0.3 1 861 . 78 LEU HD2 H 0.937 0.03 2 862 . 78 LEU C C 178.239 0.3 1 863 . 79 LEU N N 117.648 0.3 1 864 . 79 LEU H H 7.270 0.03 1 865 . 79 LEU CA C 54.377 0.3 1 866 . 79 LEU HA H 4.661 0.03 1 867 . 79 LEU CB C 44.792 0.3 1 868 . 79 LEU HB3 H 2.082 0.03 2 869 . 79 LEU HB2 H 1.344 0.03 2 870 . 79 LEU CG C 26.486 0.3 1 871 . 79 LEU HG H 1.384 0.03 1 872 . 79 LEU CD1 C 26.486 0.3 1 873 . 79 LEU HD1 H 0.662 0.03 2 874 . 79 LEU CD2 C 22.909 0.3 1 875 . 79 LEU HD2 H 0.851 0.03 2 876 . 79 LEU C C 176.718 0.3 1 877 . 80 GLY N N 106.358 0.3 1 878 . 80 GLY H H 7.508 0.03 1 879 . 80 GLY CA C 44.948 0.3 1 880 . 80 GLY HA3 H 4.347 0.03 2 881 . 80 GLY HA2 H 3.624 0.03 2 882 . 80 GLY C C 174.335 0.3 1 883 . 81 GLU N N 120.190 0.3 1 884 . 81 GLU H H 8.167 0.03 1 885 . 81 GLU CA C 58.299 0.3 1 886 . 81 GLU HA H 2.685 0.03 1 887 . 81 GLU CB C 27.692 0.3 1 888 . 81 GLU HB3 H 1.412 0.03 2 889 . 81 GLU HB2 H 0.952 0.03 2 890 . 81 GLU CG C 34.948 0.3 1 891 . 81 GLU HG3 H 0.146 0.03 2 892 . 81 GLU HG2 H 1.164 0.03 2 893 . 81 GLU C C 175.659 0.3 1 894 . 82 LEU N N 121.855 0.3 1 895 . 82 LEU H H 7.682 0.03 1 896 . 82 LEU CA C 57.827 0.3 1 897 . 82 LEU HA H 4.039 0.03 1 898 . 82 LEU CB C 43.528 0.3 1 899 . 82 LEU HB3 H 1.378 0.03 2 900 . 82 LEU HB2 H 1.853 0.03 2 901 . 82 LEU CG C 26.242 0.3 1 902 . 82 LEU HG H 0.982 0.03 1 903 . 82 LEU CD1 C 26.242 0.3 1 904 . 82 LEU HD1 H 0.982 0.03 2 905 . 82 LEU CD2 C 23.589 0.3 1 906 . 82 LEU HD2 H 1.311 0.03 2 907 . 82 LEU C C 174.978 0.3 1 908 . 83 ASP N N 111.805 0.3 1 909 . 83 ASP H H 7.720 0.03 1 910 . 83 ASP CA C 54.374 0.3 1 911 . 83 ASP HA H 4.709 0.03 1 912 . 83 ASP CB C 41.759 0.3 1 913 . 83 ASP HB3 H 2.590 0.03 2 914 . 83 ASP HB2 H 2.951 0.03 2 915 . 83 ASP C C 176.865 0.3 1 916 . 84 TYR N N 123.398 0.3 1 917 . 84 TYR H H 7.597 0.03 1 918 . 84 TYR CA C 60.337 0.3 1 919 . 84 TYR HA H 4.171 0.03 1 920 . 84 TYR CB C 36.915 0.3 1 921 . 84 TYR HB3 H 2.862 0.03 2 922 . 84 TYR HB2 H 3.056 0.03 2 923 . 84 TYR HD1 H 7.087 0.03 3 924 . 84 TYR HE1 H 7.178 0.03 3 925 . 84 TYR C C 174.473 0.3 1 926 . 85 GLN N N 126.764 0.3 1 927 . 85 GLN H H 7.623 0.03 1 928 . 85 GLN CA C 54.970 0.3 1 929 . 85 GLN HA H 4.319 0.03 1 930 . 85 GLN CB C 27.771 0.3 1 931 . 85 GLN HB3 H 1.720 0.03 2 932 . 85 GLN HB2 H 1.858 0.03 2 933 . 85 GLN CG C 34.328 0.3 1 934 . 85 GLN HG3 H 2.586 0.03 2 935 . 85 GLN HG2 H 2.120 0.03 2 936 . 85 GLN NE2 N 111.617 0.3 1 937 . 85 GLN HE21 H 7.736 0.03 2 938 . 85 GLN HE22 H 6.816 0.03 2 939 . 85 GLN C C 174.315 0.3 1 940 . 86 LEU N N 121.855 0.3 1 941 . 86 LEU H H 7.608 0.03 1 942 . 86 LEU CA C 55.479 0.3 1 943 . 86 LEU HA H 4.083 0.03 1 944 . 86 LEU CB C 43.360 0.3 1 945 . 86 LEU HB3 H 1.211 0.03 2 946 . 86 LEU HB2 H 1.550 0.03 2 947 . 86 LEU CG C 27.909 0.3 1 948 . 86 LEU HG H 1.622 0.03 1 949 . 86 LEU CD1 C 24.512 0.3 1 950 . 86 LEU HD1 H 1.074 0.03 2 951 . 86 LEU CD2 C 27.392 0.3 1 952 . 86 LEU HD2 H 0.869 0.03 2 953 . 86 LEU C C 175.779 0.3 1 954 . 87 GLN N N 120.093 0.3 1 955 . 87 GLN H H 8.749 0.03 1 956 . 87 GLN CA C 52.741 0.3 1 957 . 87 GLN HA H 4.430 0.03 1 958 . 87 GLN CB C 31.076 0.3 1 959 . 87 GLN HB3 H 2.086 0.03 2 960 . 87 GLN HB2 H 2.023 0.03 2 961 . 87 GLN CG C 33.791 0.3 1 962 . 87 GLN HG3 H 2.491 0.03 2 963 . 87 GLN HG2 H 2.372 0.03 2 964 . 87 GLN NE2 N 114.176 0.3 1 965 . 87 GLN HE21 H 7.222 0.03 2 966 . 87 GLN HE22 H 6.829 0.03 2 967 . 87 GLN C C 174.885 0.3 1 968 . 88 ASP N N 120.657 0.3 1 969 . 88 ASP H H 8.563 0.03 1 970 . 88 ASP CA C 56.898 0.3 1 971 . 88 ASP HA H 4.291 0.03 1 972 . 88 ASP CB C 41.830 0.3 1 973 . 88 ASP HB3 H 2.510 0.03 2 974 . 88 ASP HB2 H 2.705 0.03 2 975 . 88 ASP C C 177.477 0.3 1 976 . 89 GLN N N 116.496 0.3 1 977 . 89 GLN H H 9.302 0.03 1 978 . 89 GLN CA C 57.486 0.3 1 979 . 89 GLN HA H 3.616 0.03 1 980 . 89 GLN CB C 25.486 0.3 1 981 . 89 GLN HB3 H 2.340 0.03 2 982 . 89 GLN HB2 H 2.438 0.03 2 983 . 89 GLN CG C 33.208 0.3 1 984 . 89 GLN HG3 H 2.328 0.03 2 985 . 89 GLN HG2 H 2.238 0.03 2 986 . 89 GLN NE2 N 113.581 0.3 1 987 . 89 GLN HE21 H 6.696 0.03 2 988 . 89 GLN HE22 H 7.692 0.03 2 989 . 89 GLN C C 175.266 0.3 1 990 . 90 ASP N N 121.078 0.3 1 991 . 90 ASP H H 8.237 0.03 1 992 . 90 ASP CA C 56.298 0.3 1 993 . 90 ASP HA H 4.774 0.03 1 994 . 90 ASP CB C 42.212 0.3 1 995 . 90 ASP HB3 H 2.350 0.03 2 996 . 90 ASP HB2 H 2.926 0.03 2 997 . 90 ASP C C 174.875 0.3 1 998 . 91 SER N N 113.447 0.3 1 999 . 91 SER H H 8.261 0.03 1 1000 . 91 SER CA C 55.983 0.3 1 1001 . 91 SER HA H 5.292 0.03 1 1002 . 91 SER CB C 64.279 0.3 1 1003 . 91 SER HB3 H 3.827 0.03 2 1004 . 91 SER HB2 H 3.667 0.03 2 1005 . 91 SER C C 173.320 0.3 1 1006 . 92 ILE N N 128.291 0.3 1 1007 . 92 ILE H H 9.136 0.03 1 1008 . 92 ILE CA C 59.601 0.3 1 1009 . 92 ILE HA H 4.651 0.03 1 1010 . 92 ILE CB C 39.176 0.3 1 1011 . 92 ILE HB H 1.677 0.03 1 1012 . 92 ILE CG1 C 28.528 0.3 1 1013 . 92 ILE HG13 H 1.121 0.03 4 1014 . 92 ILE HG12 H 1.078 0.03 4 1015 . 92 ILE CD1 C 14.386 0.3 1 1016 . 92 ILE HD1 H 0.710 0.03 1 1017 . 92 ILE CG2 C 19.675 0.3 1 1018 . 92 ILE HG2 H 0.173 0.03 1 1019 . 92 ILE C C 173.108 0.3 1 1020 . 93 LEU N N 131.115 0.3 1 1021 . 93 LEU H H 8.907 0.03 1 1022 . 93 LEU CA C 52.995 0.3 1 1023 . 93 LEU HA H 4.969 0.03 1 1024 . 93 LEU CB C 45.123 0.3 1 1025 . 93 LEU HB3 H 1.550 0.03 2 1026 . 93 LEU HB2 H 1.235 0.03 2 1027 . 93 LEU CG C 27.871 0.3 1 1028 . 93 LEU HG H 1.247 0.03 1 1029 . 93 LEU CD1 C 26.226 0.3 1 1030 . 93 LEU HD1 H 0.736 0.03 2 1031 . 93 LEU CD2 C 22.934 0.3 1 1032 . 93 LEU HD2 H 0.619 0.03 2 1033 . 93 LEU C C 173.621 0.3 1 1034 . 94 PHE N N 122.469 0.3 1 1035 . 94 PHE H H 8.779 0.03 1 1036 . 94 PHE CA C 55.816 0.3 1 1037 . 94 PHE HA H 5.426 0.03 1 1038 . 94 PHE CB C 41.216 0.3 1 1039 . 94 PHE HB3 H 2.889 0.03 2 1040 . 94 PHE HB2 H 3.423 0.03 2 1041 . 94 PHE HD1 H 6.899 0.03 3 1042 . 94 PHE C C 175.015 0.3 1 1043 . 95 ILE N N 121.608 0.3 1 1044 . 95 ILE H H 9.095 0.03 1 1045 . 95 ILE CA C 58.794 0.3 1 1046 . 95 ILE HA H 4.603 0.03 1 1047 . 95 ILE CB C 41.203 0.3 1 1048 . 95 ILE HB H 1.691 0.03 1 1049 . 95 ILE CG1 C 27.162 0.3 1 1050 . 95 ILE HG13 H 1.369 0.03 2 1051 . 95 ILE HG12 H 0.909 0.03 4 1052 . 95 ILE CD1 C 13.173 0.3 1 1053 . 95 ILE HD1 H 0.782 0.03 1 1054 . 95 ILE CG2 C 17.051 0.3 1 1055 . 95 ILE HG2 H 0.825 0.03 1 1056 . 95 ILE C C 175.949 0.3 1 1057 . 96 SER N N 119.668 0.3 1 1058 . 96 SER H H 8.116 0.03 1 1059 . 96 SER CA C 58.091 0.3 1 1060 . 96 SER HA H 4.948 0.03 1 1061 . 96 SER CB C 63.919 0.3 1 1062 . 96 SER HB3 H 3.870 0.03 2 1063 . 96 SER HB2 H 4.000 0.03 2 1064 . 96 SER C C 174.895 0.3 1 1065 . 97 THR N N 116.096 0.3 1 1066 . 97 THR H H 8.127 0.03 1 1067 . 97 THR CA C 61.628 0.3 1 1068 . 97 THR HA H 4.678 0.03 1 1069 . 97 THR CB C 70.100 0.3 1 1070 . 97 THR HB H 4.460 0.03 1 1071 . 97 THR CG2 C 21.242 0.3 1 1072 . 97 THR HG2 H 1.265 0.03 1 1073 . 97 THR C C 174.799 0.3 1 1074 . 98 LEU N N 122.618 0.3 1 1075 . 98 LEU H H 8.190 0.03 1 1076 . 98 LEU CA C 55.784 0.3 1 1077 . 98 LEU HA H 4.371 0.03 1 1078 . 98 LEU CB C 42.500 0.3 1 1079 . 98 LEU HB3 H 1.547 0.03 1 1080 . 98 LEU HB2 H 1.547 0.03 1 1081 . 98 LEU CG C 27.192 0.3 1 1082 . 98 LEU HG H 1.595 0.03 1 1083 . 98 LEU CD1 C 24.746 0.3 1 1084 . 98 LEU HD1 H 0.916 0.03 2 1085 . 98 LEU CD2 C 23.549 0.3 1 1086 . 98 LEU HD2 H 0.908 0.03 2 1087 . 98 LEU C C 177.189 0.3 1 1088 . 99 HIS N N 120.764 0.3 1 1089 . 99 HIS H H 8.516 0.03 1 1090 . 99 HIS CA C 56.558 0.3 1 1091 . 99 HIS HA H 4.686 0.03 1 1092 . 99 HIS CB C 30.606 0.3 1 1093 . 99 HIS HB3 H 3.152 0.03 2 1094 . 99 HIS HB2 H 3.269 0.03 2 1095 . 99 HIS C C 175.594 0.3 1 1096 . 100 GLY N N 110.707 0.3 1 1097 . 100 GLY H H 8.351 0.03 1 1098 . 100 GLY CA C 45.599 0.3 1 1099 . 100 GLY HA3 H 3.957 0.03 1 1100 . 100 GLY HA2 H 3.957 0.03 1 1101 . 100 GLY C C 173.647 0.3 1 1102 . 101 GLY N N 115.296 0.3 1 1103 . 101 GLY H H 7.924 0.03 1 1104 . 101 GLY CA C 46.170 0.3 1 1105 . 101 GLY HA3 H 3.779 0.03 1 1106 . 101 GLY HA2 H 3.779 0.03 1 stop_ save_