data_25033 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Chlamydomonas reinhardtii NAB1 cold shock domain, CSD1 ; _BMRB_accession_number 25033 _BMRB_flat_file_name bmr25033.str _Entry_type original _Submission_date 2014-06-20 _Accession_date 2014-06-20 _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 Sawyer Anne . . 2 Mobli Mehdi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 364 "13C chemical shifts" 265 "15N chemical shifts" 71 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-05-04 original BMRB . stop_ _Original_release_date 2015-05-04 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the RNA-binding cold shock domain of the Chlamydomonas reinhardtii NAB1 protein and insights into RNA recognition ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25919092 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sawyer Anne . . 2 Mobli Mehdi . . 3 Landsberg Michael . . 4 Ross Ian . . 5 Hankamer Ben . . stop_ _Journal_abbreviation 'Biochem. J.' _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 2015 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_2 _Saveframe_category citation _Citation_full . _Citation_title ; NAB1 is an RNA binding protein involved in the light-regulated differential expression of the light-harvesting antenna of Chlamydomonas reinhardtii ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16284312 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mussgnug Jan . . 2 Wobbe L . . 3 Elles I . . 4 Claus C . . 5 Hamilton M . . 6 Fink A . . 7 Kahmann U . . 8 Kapazoglou A . . 9 Mullineaux C . . 10 Hippler M . . 11 Nickelsen J . . 12 Nixon P . . 13 Kruse Olaf . . stop_ _Journal_abbreviation 'Plant Cell' _Journal_name_full . _Journal_volume 17 _Journal_issue 12 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 3409 _Page_last 3421 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Chlamydomonas reinhardtii NAB1 cold shock domain, CSD1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NAB1_cold_shock_domain _Molecular_mass 7736.490 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 82 _Mol_residue_sequence ; MRGSHHHHHHGSGEQLRQQG TVKWFNATKGFGFITPGGGG EDLFVHQTNINSEGFRSLRE GEVVEFEVEAGPDGRSKAVN VT ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 GLY 12 SER 13 GLY 14 GLU 15 GLN 16 LEU 17 ARG 18 GLN 19 GLN 20 GLY 21 THR 22 VAL 23 LYS 24 TRP 25 PHE 26 ASN 27 ALA 28 THR 29 LYS 30 GLY 31 PHE 32 GLY 33 PHE 34 ILE 35 THR 36 PRO 37 GLY 38 GLY 39 GLY 40 GLY 41 GLU 42 ASP 43 LEU 44 PHE 45 VAL 46 HIS 47 GLN 48 THR 49 ASN 50 ILE 51 ASN 52 SER 53 GLU 54 GLY 55 PHE 56 ARG 57 SER 58 LEU 59 ARG 60 GLU 61 GLY 62 GLU 63 VAL 64 VAL 65 GLU 66 PHE 67 GLU 68 VAL 69 GLU 70 ALA 71 GLY 72 PRO 73 ASP 74 GLY 75 ARG 76 SER 77 LYS 78 ALA 79 VAL 80 ASN 81 VAL 82 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 2MQH "Solution Structure Of The Chlamydomonas Reinhardtii Nab1 Cold Shock Domain, Csd1" 100.00 82 100.00 100.00 9.89e-51 GB AAN77901 "putative nucleic acid binding protein [Chlamydomonas reinhardtii]" 85.37 247 100.00 100.00 8.15e-40 GB ABA01136 "putative nucleic acid-binding protein, partial [Chlamydomonas incerta]" 85.37 226 98.57 98.57 1.56e-39 GB EDP08495 "nucleic acid binding protein [Chlamydomonas reinhardtii]" 85.37 247 100.00 100.00 8.15e-40 REF XP_001696518 "nucleic acid binding protein [Chlamydomonas reinhardtii]" 85.37 247 100.00 100.00 8.15e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity 'green algae' 3055 Eukaryota Viridiplantae Chlamydomonas reinhardtii 'NAB1 nucleic acid binding protein' 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 $entity 'recombinant technology' . Escherichia coli BL21(DE3) pQE-80L stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 267 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 300 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr _Saveframe_category software _Name CcpNmr _Version 2.4.0 loop_ _Vendor _Address _Electronic_address CCPN . http://www.ccpn.ac.uk/ stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Rowland_NMR_Toolkit _Saveframe_category software _Name Rowland_NMR_Toolkit _Version 3 loop_ _Vendor _Address _Electronic_address 'A. Stern, J. C. Hoch' 'UConn Health Centre' . stop_ loop_ _Task processing stop_ _Details 'Maximum entropy reconstruction of NUS data' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'Cryo probe' save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.3 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_Sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.3 . M pH 7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.773 internal indirect . . . 0.251449530 water H 1 protons ppm 4.773 internal direct . . . 1 water N 15 protons ppm 4.773 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 11 11 GLY C C 174.266 0.000 . 2 12 12 SER H H 8.422 0.018 . 3 12 12 SER C C 175.271 0.000 . 4 12 12 SER CA C 58.570 0.000 . 5 12 12 SER CB C 63.984 0.000 . 6 12 12 SER N N 116.112 0.141 . 7 13 13 GLY H H 8.537 0.030 . 8 13 13 GLY HA2 H 4.750 0.022 . 9 13 13 GLY HA3 H 3.996 0.000 . 10 13 13 GLY C C 174.238 0.000 . 11 13 13 GLY CA C 45.520 0.000 . 12 13 13 GLY N N 111.178 0.090 . 13 14 14 GLU H H 8.285 0.002 . 14 14 14 GLU HA H 4.267 0.004 . 15 14 14 GLU HB2 H 1.915 0.001 . 16 14 14 GLU HB3 H 2.050 0.000 . 17 14 14 GLU HG2 H 2.248 0.000 . 18 14 14 GLU HG3 H 2.248 0.000 . 19 14 14 GLU C C 176.455 0.000 . 20 14 14 GLU CA C 56.753 0.000 . 21 14 14 GLU CB C 30.464 0.007 . 22 14 14 GLU CG C 36.110 0.000 . 23 14 14 GLU N N 120.547 0.038 . 24 15 15 GLN H H 8.444 0.015 . 25 15 15 GLN HA H 4.349 0.000 . 26 15 15 GLN HB2 H 1.966 0.001 . 27 15 15 GLN HB3 H 2.090 0.000 . 28 15 15 GLN HG2 H 2.355 0.001 . 29 15 15 GLN HG3 H 2.355 0.001 . 30 15 15 GLN HE21 H 7.614 0.004 . 31 15 15 GLN HE22 H 6.924 0.004 . 32 15 15 GLN C C 175.494 0.000 . 33 15 15 GLN CA C 55.670 0.000 . 34 15 15 GLN CB C 29.410 0.000 . 35 15 15 GLN CG C 33.760 0.000 . 36 15 15 GLN N N 121.185 0.053 . 37 15 15 GLN NE2 N 112.743 0.032 . 38 16 16 LEU H H 8.289 0.005 . 39 16 16 LEU HA H 4.341 0.001 . 40 16 16 LEU HB2 H 1.600 0.000 . 41 16 16 LEU HB3 H 1.600 0.000 . 42 16 16 LEU HG H 1.565 0.000 . 43 16 16 LEU HD1 H 0.846 0.002 . 44 16 16 LEU HD2 H 0.904 0.000 . 45 16 16 LEU C C 176.942 0.000 . 46 16 16 LEU CA C 55.504 0.010 . 47 16 16 LEU CB C 42.519 0.000 . 48 16 16 LEU CG C 27.285 0.000 . 49 16 16 LEU CD1 C 24.111 0.006 . 50 16 16 LEU CD2 C 24.700 0.000 . 51 16 16 LEU N N 123.934 0.156 . 52 17 17 ARG H H 8.216 0.007 . 53 17 17 ARG HA H 4.464 0.000 . 54 17 17 ARG HB2 H 1.586 0.000 . 55 17 17 ARG HB3 H 1.656 0.001 . 56 17 17 ARG HG2 H 1.825 0.001 . 57 17 17 ARG HG3 H 1.825 0.001 . 58 17 17 ARG HD2 H 3.175 0.001 . 59 17 17 ARG HD3 H 3.175 0.001 . 60 17 17 ARG C C 175.829 0.000 . 61 17 17 ARG CA C 55.672 0.000 . 62 17 17 ARG CB C 29.830 0.000 . 63 17 17 ARG CG C 30.573 0.000 . 64 17 17 ARG CD C 43.453 0.000 . 65 17 17 ARG N N 122.044 0.035 . 66 18 18 GLN H H 8.573 0.013 . 67 18 18 GLN HA H 4.334 0.001 . 68 18 18 GLN HB2 H 1.593 0.000 . 69 18 18 GLN HB3 H 1.635 0.000 . 70 18 18 GLN HG2 H 1.941 0.001 . 71 18 18 GLN HG3 H 1.941 0.001 . 72 18 18 GLN C C 172.958 0.000 . 73 18 18 GLN CA C 54.900 0.000 . 74 18 18 GLN CB C 32.620 0.000 . 75 18 18 GLN CG C 33.760 0.000 . 76 18 18 GLN N N 122.488 0.028 . 77 19 19 GLN H H 8.146 0.003 . 78 19 19 GLN HA H 5.378 0.000 . 79 19 19 GLN HB2 H 2.347 0.000 . 80 19 19 GLN HB3 H 2.347 0.000 . 81 19 19 GLN HG2 H 1.979 0.000 . 82 19 19 GLN HG3 H 2.025 0.000 . 83 19 19 GLN HE21 H 7.546 0.002 . 84 19 19 GLN HE22 H 6.846 0.002 . 85 19 19 GLN C C 176.902 0.000 . 86 19 19 GLN CA C 54.215 0.001 . 87 19 19 GLN CB C 34.638 0.000 . 88 19 19 GLN CG C 32.595 0.000 . 89 19 19 GLN N N 116.301 0.044 . 90 19 19 GLN NE2 N 111.880 0.031 . 91 20 20 GLY H H 8.998 0.003 . 92 20 20 GLY HA2 H 4.000 0.005 . 93 20 20 GLY HA3 H 4.589 0.000 . 94 20 20 GLY C C 170.989 0.000 . 95 20 20 GLY CA C 45.935 0.000 . 96 20 20 GLY N N 109.745 0.021 . 97 21 21 THR H H 8.312 0.007 . 98 21 21 THR HA H 5.361 0.001 . 99 21 21 THR HB H 3.783 0.001 . 100 21 21 THR HG2 H 1.119 0.003 . 101 21 21 THR C C 174.553 0.000 . 102 21 21 THR CA C 60.025 0.000 . 103 21 21 THR CB C 71.720 0.000 . 104 21 21 THR CG2 C 21.995 0.000 . 105 21 21 THR N N 112.645 0.139 . 106 22 22 VAL H H 9.092 0.006 . 107 22 22 VAL HA H 3.649 0.002 . 108 22 22 VAL HB H 2.448 0.001 . 109 22 22 VAL HG1 H 0.520 0.001 . 110 22 22 VAL HG2 H 0.869 0.000 . 111 22 22 VAL C C 175.553 0.000 . 112 22 22 VAL CA C 64.618 0.000 . 113 22 22 VAL CB C 31.621 0.000 . 114 22 22 VAL CG1 C 21.120 0.000 . 115 22 22 VAL CG2 C 24.283 0.000 . 116 22 22 VAL N N 125.915 0.092 . 117 23 23 LYS H H 9.276 0.000 . 118 23 23 LYS HA H 4.301 0.000 . 119 23 23 LYS HB2 H 1.940 0.004 . 120 23 23 LYS HB3 H 1.940 0.004 . 121 23 23 LYS HG2 H 1.557 0.000 . 122 23 23 LYS HG3 H 1.557 0.000 . 123 23 23 LYS HD2 H 1.610 0.001 . 124 23 23 LYS HD3 H 1.610 0.001 . 125 23 23 LYS HE2 H 3.032 0.000 . 126 23 23 LYS HE3 H 3.032 0.000 . 127 23 23 LYS C C 176.301 0.000 . 128 23 23 LYS CA C 58.610 0.000 . 129 23 23 LYS CB C 34.300 0.000 . 130 23 23 LYS CG C 24.960 0.000 . 131 23 23 LYS CD C 29.230 0.000 . 132 23 23 LYS CE C 41.580 0.000 . 133 23 23 LYS N N 135.79 0.000 . 134 24 24 TRP H H 7.455 0.019 . 135 24 24 TRP HA H 4.623 0.001 . 136 24 24 TRP HB2 H 3.502 0.002 . 137 24 24 TRP HB3 H 3.428 0.002 . 138 24 24 TRP HD1 H 7.145 0.008 . 139 24 24 TRP HE1 H 10.322 0.012 . 140 24 24 TRP HZ2 H 7.633 0.002 . 141 24 24 TRP C C 173.628 0.000 . 142 24 24 TRP CA C 56.300 0.000 . 143 24 24 TRP CB C 31.260 0.000 . 144 24 24 TRP CD1 C 128.052 0.073 . 145 24 24 TRP CZ2 C 115.262 0.000 . 146 24 24 TRP N N 111.651 0.070 . 147 24 24 TRP NE1 N 130.159 0.119 . 148 25 25 PHE H H 9.074 0.009 . 149 25 25 PHE HA H 4.285 0.001 . 150 25 25 PHE HB2 H 2.800 0.007 . 151 25 25 PHE HB3 H 2.427 0.003 . 152 25 25 PHE HD1 H 6.744 0.001 . 153 25 25 PHE HD2 H 6.744 0.001 . 154 25 25 PHE HE1 H 7.486 0.000 . 155 25 25 PHE HE2 H 7.486 0.000 . 156 25 25 PHE C C 172.354 0.000 . 157 25 25 PHE CA C 59.372 0.000 . 158 25 25 PHE CB C 42.569 0.000 . 159 25 25 PHE CD2 C 131.693 0.087 . 160 25 25 PHE CE2 C 131.768 0.002 . 161 25 25 PHE N N 121.305 0.030 . 162 26 26 ASN H H 8.159 0.012 . 163 26 26 ASN HA H 4.812 0.001 . 164 26 26 ASN HB2 H 2.536 0.002 . 165 26 26 ASN HB3 H 2.457 0.002 . 166 26 26 ASN CA C 51.412 0.000 . 167 26 26 ASN CB C 39.086 0.000 . 168 26 26 ASN N N 126.976 0.092 . 169 27 27 ALA H H 9.036 0.020 . 170 27 27 ALA HA H 4.121 0.000 . 171 27 27 ALA HB H 1.660 0.000 . 172 27 27 ALA C C 179.031 0.000 . 173 27 27 ALA CA C 54.425 0.000 . 174 27 27 ALA CB C 18.374 0.000 . 175 27 27 ALA N N 128.245 0.123 . 176 28 28 THR H H 8.065 0.004 . 177 28 28 THR HA H 4.068 0.002 . 178 28 28 THR HB H 4.314 0.004 . 179 28 28 THR HG2 H 1.255 0.000 . 180 28 28 THR C C 176.084 0.000 . 181 28 28 THR CA C 65.820 0.000 . 182 28 28 THR CB C 68.291 0.000 . 183 28 28 THR CG2 C 21.704 0.000 . 184 28 28 THR N N 113.994 0.190 . 185 29 29 LYS H H 7.446 0.003 . 186 29 29 LYS HA H 4.256 0.001 . 187 29 29 LYS HB2 H 1.097 0.001 . 188 29 29 LYS HB3 H 1.834 0.001 . 189 29 29 LYS HG2 H 1.374 0.003 . 190 29 29 LYS HG3 H 1.433 0.001 . 191 29 29 LYS HD2 H 1.599 0.000 . 192 29 29 LYS HD3 H 1.599 0.000 . 193 29 29 LYS HE2 H 3.006 0.000 . 194 29 29 LYS HE3 H 3.048 0.000 . 195 29 29 LYS C C 177.201 0.000 . 196 29 29 LYS CA C 56.888 0.000 . 197 29 29 LYS CB C 33.740 0.000 . 198 29 29 LYS CG C 25.912 0.000 . 199 29 29 LYS CD C 29.243 0.000 . 200 29 29 LYS CE C 42.229 0.000 . 201 29 29 LYS N N 118.922 0.019 . 202 30 30 GLY H H 8.115 0.004 . 203 30 30 GLY HA2 H 3.608 0.000 . 204 30 30 GLY HA3 H 3.987 0.007 . 205 30 30 GLY C C 172.004 0.000 . 206 30 30 GLY CA C 46.404 0.000 . 207 30 30 GLY N N 107.601 0.182 . 208 31 31 PHE H H 6.594 0.015 . 209 31 31 PHE HA H 5.007 0.002 . 210 31 31 PHE HB2 H 2.832 0.007 . 211 31 31 PHE HB3 H 2.832 0.007 . 212 31 31 PHE HD1 H 6.907 0.001 . 213 31 31 PHE HD2 H 6.907 0.001 . 214 31 31 PHE HE1 H 7.552 0.000 . 215 31 31 PHE HE2 H 7.552 0.000 . 216 31 31 PHE CA C 55.278 0.000 . 217 31 31 PHE CB C 42.388 0.000 . 218 31 31 PHE CD1 C 132.476 0.008 . 219 31 31 PHE CD2 C 132.476 0.000 . 220 31 31 PHE CE1 C 131.264 0.000 . 221 31 31 PHE CE2 C 131.264 0.000 . 222 31 31 PHE N N 112.488 0.163 . 223 32 32 GLY H H 8.144 0.005 . 224 32 32 GLY HA2 H 3.935 0.000 . 225 32 32 GLY HA3 H 2.968 0.000 . 226 32 32 GLY C C 170.292 0.000 . 227 32 32 GLY CA C 45.369 0.000 . 228 32 32 GLY N N 105.986 0.054 . 229 33 33 PHE H H 7.971 0.011 . 230 33 33 PHE HA H 5.463 0.002 . 231 33 33 PHE HB2 H 2.211 0.001 . 232 33 33 PHE HB3 H 2.614 0.000 . 233 33 33 PHE C C 175.037 0.000 . 234 33 33 PHE CA C 56.295 0.000 . 235 33 33 PHE CB C 44.792 0.000 . 236 33 33 PHE N N 115.319 0.214 . 237 34 34 ILE H H 9.511 0.021 . 238 34 34 ILE HA H 4.317 0.001 . 239 34 34 ILE HB H 1.011 0.001 . 240 34 34 ILE HG12 H 0.493 0.000 . 241 34 34 ILE HG13 H 1.210 0.000 . 242 34 34 ILE HG2 H 0.209 0.003 . 243 34 34 ILE HD1 H 0.150 0.002 . 244 34 34 ILE C C 174.526 0.000 . 245 34 34 ILE CA C 59.797 0.000 . 246 34 34 ILE CB C 42.583 0.000 . 247 34 34 ILE CG1 C 28.106 0.000 . 248 34 34 ILE CG2 C 17.509 0.000 . 249 34 34 ILE CD1 C 14.601 0.000 . 250 34 34 ILE N N 122.140 0.074 . 251 35 35 THR H H 9.416 0.023 . 252 35 35 THR HA H 5.143 0.001 . 253 35 35 THR HB H 3.922 0.001 . 254 35 35 THR HG2 H 1.350 0.000 . 255 35 35 THR CA C 59.330 0.000 . 256 35 35 THR CB C 70.258 0.000 . 257 35 35 THR CG2 C 22.310 0.000 . 258 35 35 THR N N 126.580 0.072 . 259 36 36 PRO HA H 4.599 0.000 . 260 36 36 PRO HB2 H 2.292 0.000 . 261 36 36 PRO HB3 H 2.411 0.000 . 262 36 36 PRO HG2 H 1.933 0.000 . 263 36 36 PRO HG3 H 2.065 0.000 . 264 36 36 PRO HD2 H 3.725 0.000 . 265 36 36 PRO HD3 H 4.204 0.000 . 266 36 36 PRO C C 177.390 0.000 . 267 36 36 PRO CA C 63.220 0.000 . 268 36 36 PRO CB C 32.470 0.000 . 269 36 36 PRO CG C 27.580 0.000 . 270 36 36 PRO CD C 52.690 0.000 . 271 37 37 GLY H H 9.349 0.004 . 272 37 37 GLY HA2 H 3.602 0.001 . 273 37 37 GLY HA3 H 3.995 0.000 . 274 37 37 GLY C C 169.261 0.000 . 275 37 37 GLY CA C 46.457 0.000 . 276 37 37 GLY N N 112.033 0.039 . 277 38 38 GLY H H 8.756 0.004 . 278 38 38 GLY C C 175.177 0.000 . 279 38 38 GLY N N 109.050 0.112 . 280 39 39 GLY H H 7.725 0.004 . 281 39 39 GLY HA2 H 3.995 0.001 . 282 39 39 GLY HA3 H 4.556 0.000 . 283 39 39 GLY C C 173.870 0.000 . 284 39 39 GLY CA C 44.258 0.000 . 285 39 39 GLY N N 107.730 0.043 . 286 40 40 GLY H H 8.096 0.006 . 287 40 40 GLY HA2 H 4.227 0.001 . 288 40 40 GLY HA3 H 3.923 0.001 . 289 40 40 GLY C C 173.067 0.000 . 290 40 40 GLY CA C 43.760 0.000 . 291 40 40 GLY N N 107.183 0.028 . 292 41 41 GLU H H 8.199 0.005 . 293 41 41 GLU HA H 4.178 0.000 . 294 41 41 GLU HB2 H 1.985 0.001 . 295 41 41 GLU HB3 H 2.102 0.003 . 296 41 41 GLU HG2 H 2.414 0.000 . 297 41 41 GLU HG3 H 2.414 0.000 . 298 41 41 GLU C C 175.900 0.000 . 299 41 41 GLU CA C 56.377 0.000 . 300 41 41 GLU CB C 30.600 0.000 . 301 41 41 GLU CG C 36.543 0.000 . 302 41 41 GLU N N 119.455 0.045 . 303 42 42 ASP H H 8.277 0.009 . 304 42 42 ASP HA H 4.857 0.004 . 305 42 42 ASP HB2 H 2.411 0.002 . 306 42 42 ASP HB3 H 2.411 0.002 . 307 42 42 ASP C C 176.474 0.000 . 308 42 42 ASP CA C 55.441 0.000 . 309 42 42 ASP CB C 41.488 0.000 . 310 42 42 ASP N N 119.784 0.083 . 311 43 43 LEU H H 9.423 0.005 . 312 43 43 LEU HA H 4.687 0.001 . 313 43 43 LEU HB2 H 1.266 0.001 . 314 43 43 LEU HB3 H 1.317 0.001 . 315 43 43 LEU HG H 1.629 0.000 . 316 43 43 LEU HD1 H 0.695 0.002 . 317 43 43 LEU HD2 H 0.719 0.000 . 318 43 43 LEU C C 175.759 0.000 . 319 43 43 LEU CA C 53.304 0.000 . 320 43 43 LEU CB C 45.449 0.000 . 321 43 43 LEU CG C 27.149 0.000 . 322 43 43 LEU CD1 C 27.511 0.000 . 323 43 43 LEU CD2 C 25.896 0.000 . 324 43 43 LEU N N 122.515 0.144 . 325 44 44 PHE H H 8.465 0.008 . 326 44 44 PHE HA H 3.922 0.002 . 327 44 44 PHE HB2 H 3.029 0.002 . 328 44 44 PHE HB3 H 2.777 0.001 . 329 44 44 PHE HD1 H 6.910 0.000 . 330 44 44 PHE HD2 H 6.910 0.000 . 331 44 44 PHE HE1 H 7.481 0.000 . 332 44 44 PHE HE2 H 7.481 0.000 . 333 44 44 PHE C C 172.844 0.000 . 334 44 44 PHE CA C 57.880 0.000 . 335 44 44 PHE CB C 40.350 0.000 . 336 44 44 PHE N N 125.962 0.055 . 337 45 45 VAL H H 7.715 0.005 . 338 45 45 VAL HA H 4.657 0.002 . 339 45 45 VAL HB H 1.584 0.001 . 340 45 45 VAL HG1 H 0.478 0.000 . 341 45 45 VAL HG2 H 0.679 0.000 . 342 45 45 VAL C C 177.433 0.000 . 343 45 45 VAL CA C 58.460 0.000 . 344 45 45 VAL CB C 34.884 0.000 . 345 45 45 VAL CG1 C 18.277 0.000 . 346 45 45 VAL CG2 C 22.890 0.000 . 347 45 45 VAL N N 123.552 0.072 . 348 46 46 HIS H H 9.104 0.015 . 349 46 46 HIS HA H 4.825 0.002 . 350 46 46 HIS HB2 H 3.118 0.002 . 351 46 46 HIS HB3 H 3.118 0.002 . 352 46 46 HIS C C 176.469 0.000 . 353 46 46 HIS CA C 55.929 0.000 . 354 46 46 HIS CB C 34.399 0.000 . 355 46 46 HIS N N 127.300 0.203 . 356 47 47 GLN H H 8.352 0.004 . 357 47 47 GLN N N 125.105 0.060 . 358 48 48 THR HA H 4.310 0.000 . 359 48 48 THR HB H 4.395 0.001 . 360 48 48 THR HG2 H 1.472 0.001 . 361 48 48 THR C C 175.568 0.000 . 362 48 48 THR CA C 64.770 0.001 . 363 48 48 THR CB C 70.054 0.000 . 364 48 48 THR CG2 C 22.498 0.000 . 365 49 49 ASN H H 8.452 0.004 . 366 49 49 ASN HA H 5.160 0.000 . 367 49 49 ASN HB2 H 3.529 0.001 . 368 49 49 ASN HB3 H 2.874 0.000 . 369 49 49 ASN HD21 H 7.238 0.002 . 370 49 49 ASN HD22 H 8.164 0.004 . 371 49 49 ASN C C 172.914 0.000 . 372 49 49 ASN CA C 54.351 0.000 . 373 49 49 ASN CB C 40.527 0.000 . 374 49 49 ASN N N 118.142 0.043 . 375 49 49 ASN ND2 N 110.371 0.046 . 376 50 50 ILE H H 7.354 0.002 . 377 50 50 ILE HA H 4.112 0.001 . 378 50 50 ILE HB H 1.852 0.001 . 379 50 50 ILE HG12 H 1.625 0.013 . 380 50 50 ILE HG13 H 1.625 0.013 . 381 50 50 ILE HG2 H 0.670 0.002 . 382 50 50 ILE HD1 H 0.497 0.001 . 383 50 50 ILE CA C 61.606 0.000 . 384 50 50 ILE CB C 38.362 0.000 . 385 50 50 ILE CG1 C 27.422 0.000 . 386 50 50 ILE CG2 C 17.530 0.000 . 387 50 50 ILE CD1 C 14.470 0.000 . 388 50 50 ILE N N 119.226 0.027 . 389 51 51 ASN H H 9.266 0.000 . 390 51 51 ASN C C 174.614 0.000 . 391 51 51 ASN N N 128.460 0.000 . 392 52 52 SER H H 7.973 0.003 . 393 52 52 SER HA H 4.413 0.004 . 394 52 52 SER HB2 H 3.787 0.000 . 395 52 52 SER HB3 H 3.827 0.000 . 396 52 52 SER C C 174.139 0.000 . 397 52 52 SER CA C 58.378 0.000 . 398 52 52 SER CB C 64.371 0.000 . 399 52 52 SER N N 117.246 0.033 . 400 53 53 GLU H H 8.641 0.004 . 401 53 53 GLU HA H 4.298 0.000 . 402 53 53 GLU HB2 H 1.958 0.000 . 403 53 53 GLU HB3 H 2.078 0.000 . 404 53 53 GLU HG2 H 2.277 0.001 . 405 53 53 GLU HG3 H 2.277 0.001 . 406 53 53 GLU C C 176.960 0.000 . 407 53 53 GLU CA C 57.270 0.000 . 408 53 53 GLU CB C 29.861 0.000 . 409 53 53 GLU CG C 36.700 0.000 . 410 53 53 GLU N N 123.628 0.071 . 411 54 54 GLY H H 8.225 0.004 . 412 54 54 GLY HA2 H 3.795 0.000 . 413 54 54 GLY HA3 H 4.352 0.001 . 414 54 54 GLY CA C 44.600 0.000 . 415 54 54 GLY N N 110.282 0.043 . 416 55 55 PHE HA H 4.820 0.001 . 417 55 55 PHE HB2 H 2.611 0.000 . 418 55 55 PHE HB3 H 2.801 0.000 . 419 55 55 PHE C C 175.836 0.000 . 420 55 55 PHE CA C 52.690 0.000 . 421 55 55 PHE CB C 38.095 0.000 . 422 56 56 ARG H H 8.153 0.003 . 423 56 56 ARG HA H 4.264 0.002 . 424 56 56 ARG HB2 H 1.502 0.001 . 425 56 56 ARG HB3 H 1.657 0.000 . 426 56 56 ARG HG2 H 1.137 0.000 . 427 56 56 ARG HG3 H 1.458 0.001 . 428 56 56 ARG HD2 H 2.789 0.000 . 429 56 56 ARG HD3 H 3.101 0.001 . 430 56 56 ARG C C 175.618 0.000 . 431 56 56 ARG CA C 55.510 0.000 . 432 56 56 ARG CB C 32.020 0.000 . 433 56 56 ARG CG C 27.010 0.000 . 434 56 56 ARG CD C 43.860 0.000 . 435 56 56 ARG N N 120.907 0.050 . 436 57 57 SER H H 7.834 0.009 . 437 57 57 SER N N 123.117 0.044 . 438 58 58 LEU HA H 4.280 0.001 . 439 58 58 LEU HB2 H 0.445 0.001 . 440 58 58 LEU HB3 H 0.935 0.000 . 441 58 58 LEU HG H 0.763 0.000 . 442 58 58 LEU HD1 H 0.352 0.000 . 443 58 58 LEU HD2 H 0.266 0.000 . 444 58 58 LEU C C 174.842 0.000 . 445 58 58 LEU CA C 53.760 0.000 . 446 58 58 LEU CB C 42.580 0.000 . 447 58 58 LEU CG C 26.600 0.000 . 448 58 58 LEU CD1 C 21.930 0.000 . 449 58 58 LEU CD2 C 25.250 0.000 . 450 59 59 ARG H H 8.529 0.003 . 451 59 59 ARG HA H 4.585 0.001 . 452 59 59 ARG HB2 H 1.635 0.002 . 453 59 59 ARG HB3 H 1.790 0.002 . 454 59 59 ARG HG2 H 1.589 0.000 . 455 59 59 ARG HG3 H 1.589 0.000 . 456 59 59 ARG HD2 H 3.140 0.000 . 457 59 59 ARG HD3 H 3.193 0.000 . 458 59 59 ARG C C 175.256 0.000 . 459 59 59 ARG CA C 54.112 0.000 . 460 59 59 ARG CB C 32.970 0.000 . 461 59 59 ARG CG C 27.120 0.000 . 462 59 59 ARG CD C 43.440 0.000 . 463 59 59 ARG N N 119.557 0.020 . 464 60 60 GLU H H 8.691 0.006 . 465 60 60 GLU HA H 3.581 0.005 . 466 60 60 GLU HB2 H 2.120 0.002 . 467 60 60 GLU HB3 H 2.028 0.003 . 468 60 60 GLU HG2 H 2.322 0.001 . 469 60 60 GLU HG3 H 2.563 0.001 . 470 60 60 GLU C C 177.281 0.000 . 471 60 60 GLU CA C 58.301 0.000 . 472 60 60 GLU CB C 29.261 0.000 . 473 60 60 GLU CG C 36.110 0.000 . 474 60 60 GLU N N 121.597 0.111 . 475 61 61 GLY H H 9.151 0.007 . 476 61 61 GLY HA2 H 3.582 0.000 . 477 61 61 GLY HA3 H 4.355 0.002 . 478 61 61 GLY C C 174.068 0.000 . 479 61 61 GLY CA C 45.243 0.000 . 480 61 61 GLY N N 113.554 0.053 . 481 62 62 GLU H H 7.889 0.003 . 482 62 62 GLU HA H 4.204 0.001 . 483 62 62 GLU HB2 H 2.128 0.001 . 484 62 62 GLU HB3 H 1.909 0.000 . 485 62 62 GLU HG2 H 2.235 0.001 . 486 62 62 GLU HG3 H 2.235 0.001 . 487 62 62 GLU C C 175.439 0.000 . 488 62 62 GLU CA C 57.342 0.000 . 489 62 62 GLU CB C 30.925 0.000 . 490 62 62 GLU CG C 36.988 0.000 . 491 62 62 GLU N N 121.639 0.042 . 492 63 63 VAL H H 8.477 0.004 . 493 63 63 VAL HA H 4.748 0.000 . 494 63 63 VAL HB H 1.993 0.000 . 495 63 63 VAL HG1 H 1.043 0.000 . 496 63 63 VAL HG2 H 0.981 0.000 . 497 63 63 VAL C C 176.639 0.000 . 498 63 63 VAL CA C 62.631 0.000 . 499 63 63 VAL CB C 32.357 0.000 . 500 63 63 VAL CG1 C 21.610 0.001 . 501 63 63 VAL CG2 C 21.615 0.000 . 502 63 63 VAL N N 125.003 0.051 . 503 64 64 VAL H H 8.686 0.007 . 504 64 64 VAL HA H 5.004 0.001 . 505 64 64 VAL HB H 2.188 0.001 . 506 64 64 VAL HG1 H 0.628 0.001 . 507 64 64 VAL HG2 H 0.551 0.000 . 508 64 64 VAL C C 173.790 0.000 . 509 64 64 VAL CA C 58.609 0.000 . 510 64 64 VAL CB C 36.360 0.000 . 511 64 64 VAL CG1 C 22.679 0.003 . 512 64 64 VAL CG2 C 18.060 0.000 . 513 64 64 VAL N N 120.113 0.045 . 514 65 65 GLU H H 9.003 0.014 . 515 65 65 GLU HA H 5.447 0.000 . 516 65 65 GLU HB2 H 1.886 0.000 . 517 65 65 GLU HB3 H 1.937 0.000 . 518 65 65 GLU HG2 H 2.209 0.001 . 519 65 65 GLU HG3 H 2.087 0.002 . 520 65 65 GLU C C 175.584 0.000 . 521 65 65 GLU CA C 54.390 0.000 . 522 65 65 GLU CB C 34.003 0.000 . 523 65 65 GLU CG C 37.755 0.000 . 524 65 65 GLU N N 120.433 0.043 . 525 66 66 PHE H H 8.172 0.006 . 526 66 66 PHE HA H 5.061 0.001 . 527 66 66 PHE HB2 H 3.253 0.002 . 528 66 66 PHE HB3 H 3.056 0.003 . 529 66 66 PHE HD1 H 6.689 0.001 . 530 66 66 PHE HD2 H 6.689 0.001 . 531 66 66 PHE HE1 H 6.770 0.000 . 532 66 66 PHE HE2 H 6.770 0.000 . 533 66 66 PHE HZ H 7.283 0.000 . 534 66 66 PHE C C 173.001 0.000 . 535 66 66 PHE CA C 56.857 0.000 . 536 66 66 PHE CB C 41.432 0.000 . 537 66 66 PHE CD1 C 131.970 0.000 . 538 66 66 PHE CD2 C 131.970 0.000 . 539 66 66 PHE CE1 C 128.785 0.000 . 540 66 66 PHE CE2 C 128.785 0.000 . 541 66 66 PHE CZ C 129.861 0.000 . 542 66 66 PHE N N 116.104 0.039 . 543 67 67 GLU H H 8.668 0.010 . 544 67 67 GLU HA H 4.872 0.002 . 545 67 67 GLU HB2 H 2.135 0.001 . 546 67 67 GLU HB3 H 1.860 0.001 . 547 67 67 GLU HG2 H 2.195 0.000 . 548 67 67 GLU HG3 H 2.343 0.000 . 549 67 67 GLU C C 175.327 0.000 . 550 67 67 GLU CA C 54.641 0.000 . 551 67 67 GLU CB C 33.020 0.000 . 552 67 67 GLU CG C 37.360 0.000 . 553 67 67 GLU N N 117.574 0.042 . 554 68 68 VAL H H 8.748 0.003 . 555 68 68 VAL HA H 5.012 0.003 . 556 68 68 VAL HB H 2.007 0.001 . 557 68 68 VAL HG1 H 0.976 0.000 . 558 68 68 VAL HG2 H 1.120 0.002 . 559 68 68 VAL C C 176.140 0.000 . 560 68 68 VAL CA C 62.338 0.000 . 561 68 68 VAL CB C 34.006 0.000 . 562 68 68 VAL CG1 C 21.620 0.000 . 563 68 68 VAL CG2 C 22.440 0.000 . 564 68 68 VAL N N 120.881 0.083 . 565 69 69 GLU H H 9.070 0.011 . 566 69 69 GLU HA H 4.705 0.001 . 567 69 69 GLU HB2 H 1.838 0.000 . 568 69 69 GLU HB3 H 1.972 0.001 . 569 69 69 GLU HG2 H 2.199 0.000 . 570 69 69 GLU HG3 H 2.126 0.000 . 571 69 69 GLU C C 174.573 0.000 . 572 69 69 GLU CA C 54.953 0.000 . 573 69 69 GLU CB C 34.290 0.000 . 574 69 69 GLU CG C 36.780 0.000 . 575 69 69 GLU N N 128.110 0.070 . 576 70 70 ALA H H 8.671 0.008 . 577 70 70 ALA HA H 5.004 0.000 . 578 70 70 ALA HB H 0.688 0.000 . 579 70 70 ALA C C 178.073 0.000 . 580 70 70 ALA CA C 50.959 0.000 . 581 70 70 ALA CB C 19.489 0.000 . 582 70 70 ALA N N 127.944 0.055 . 583 71 71 GLY H H 8.445 0.022 . 584 71 71 GLY HA2 H 3.919 0.000 . 585 71 71 GLY HA3 H 4.231 0.000 . 586 71 71 GLY CA C 44.016 0.000 . 587 71 71 GLY N N 110.340 0.035 . 588 72 72 PRO HA H 4.417 0.002 . 589 72 72 PRO HB2 H 1.970 0.000 . 590 72 72 PRO HB3 H 2.293 0.000 . 591 72 72 PRO HG2 H 1.971 0.000 . 592 72 72 PRO HG3 H 1.971 0.000 . 593 72 72 PRO HD2 H 3.667 0.004 . 594 72 72 PRO HD3 H 3.667 0.004 . 595 72 72 PRO C C 176.835 0.000 . 596 72 72 PRO CA C 64.160 0.000 . 597 72 72 PRO CB C 31.880 0.000 . 598 72 72 PRO CG C 26.742 0.000 . 599 72 72 PRO CD C 50.110 0.000 . 600 73 73 ASP H H 8.248 0.027 . 601 73 73 ASP HA H 4.515 0.001 . 602 73 73 ASP HB2 H 2.682 0.000 . 603 73 73 ASP HB3 H 2.866 0.000 . 604 73 73 ASP C C 176.775 0.000 . 605 73 73 ASP CA C 53.547 0.000 . 606 73 73 ASP CB C 40.234 0.000 . 607 73 73 ASP N N 116.498 0.039 . 608 74 74 GLY H H 8.153 0.004 . 609 74 74 GLY HA2 H 3.701 0.001 . 610 74 74 GLY HA3 H 4.209 0.001 . 611 74 74 GLY C C 174.331 0.000 . 612 74 74 GLY CA C 45.578 0.000 . 613 74 74 GLY N N 107.369 0.123 . 614 75 75 ARG H H 7.670 0.013 . 615 75 75 ARG HA H 4.542 0.000 . 616 75 75 ARG HB2 H 1.876 0.007 . 617 75 75 ARG HB3 H 1.813 0.000 . 618 75 75 ARG HG2 H 1.655 0.001 . 619 75 75 ARG HG3 H 1.614 0.000 . 620 75 75 ARG HD2 H 3.125 0.000 . 621 75 75 ARG HD3 H 3.192 0.004 . 622 75 75 ARG C C 176.652 0.000 . 623 75 75 ARG CA C 55.658 0.000 . 624 75 75 ARG CB C 30.909 0.000 . 625 75 75 ARG CG C 27.072 0.000 . 626 75 75 ARG CD C 43.150 0.000 . 627 75 75 ARG N N 120.942 0.052 . 628 76 76 SER H H 8.808 0.025 . 629 76 76 SER HA H 5.035 0.001 . 630 76 76 SER HB2 H 3.695 0.000 . 631 76 76 SER HB3 H 3.751 0.000 . 632 76 76 SER C C 172.816 0.000 . 633 76 76 SER CA C 59.080 0.000 . 634 76 76 SER CB C 64.850 0.000 . 635 76 76 SER N N 120.181 0.094 . 636 77 77 LYS H H 8.982 0.013 . 637 77 77 LYS HA H 5.174 0.000 . 638 77 77 LYS HB2 H 1.984 0.000 . 639 77 77 LYS HB3 H 1.876 0.002 . 640 77 77 LYS HG2 H 1.448 0.000 . 641 77 77 LYS HG3 H 1.284 0.001 . 642 77 77 LYS HD2 H 1.750 0.001 . 643 77 77 LYS HD3 H 1.668 0.000 . 644 77 77 LYS HE2 H 2.831 0.001 . 645 77 77 LYS HE3 H 2.831 0.001 . 646 77 77 LYS C C 173.706 0.000 . 647 77 77 LYS CA C 54.599 0.000 . 648 77 77 LYS CB C 36.035 0.000 . 649 77 77 LYS CG C 24.227 0.000 . 650 77 77 LYS CD C 29.828 0.000 . 651 77 77 LYS CE C 41.975 0.000 . 652 77 77 LYS N N 121.202 0.090 . 653 78 78 ALA H H 8.706 0.015 . 654 78 78 ALA HA H 5.004 0.001 . 655 78 78 ALA HB H 0.688 0.001 . 656 78 78 ALA C C 175.979 0.000 . 657 78 78 ALA CA C 50.445 0.000 . 658 78 78 ALA CB C 20.136 0.000 . 659 78 78 ALA N N 124.064 0.137 . 660 79 79 VAL H H 9.165 0.005 . 661 79 79 VAL HA H 4.843 0.002 . 662 79 79 VAL HB H 2.229 0.002 . 663 79 79 VAL HG1 H 0.756 0.000 . 664 79 79 VAL HG2 H 0.827 0.000 . 665 79 79 VAL C C 174.744 0.000 . 666 79 79 VAL CA C 59.073 0.000 . 667 79 79 VAL CB C 35.596 0.000 . 668 79 79 VAL CG1 C 19.208 0.001 . 669 79 79 VAL CG2 C 21.759 0.000 . 670 79 79 VAL N N 113.264 0.105 . 671 80 80 ASN H H 8.923 0.008 . 672 80 80 ASN HA H 4.356 0.002 . 673 80 80 ASN HB2 H 2.659 0.003 . 674 80 80 ASN HB3 H 3.055 0.001 . 675 80 80 ASN HD21 H 7.859 0.005 . 676 80 80 ASN HD22 H 6.806 0.004 . 677 80 80 ASN C C 175.391 0.000 . 678 80 80 ASN CA C 53.734 0.000 . 679 80 80 ASN CB C 37.121 0.000 . 680 80 80 ASN N N 120.084 0.049 . 681 80 80 ASN ND2 N 113.279 0.021 . 682 81 81 VAL H H 8.282 0.006 . 683 81 81 VAL HA H 4.747 0.001 . 684 81 81 VAL HB H 1.917 0.001 . 685 81 81 VAL HG1 H 0.687 0.001 . 686 81 81 VAL HG2 H 0.792 0.000 . 687 81 81 VAL C C 176.340 0.000 . 688 81 81 VAL CA C 63.160 0.000 . 689 81 81 VAL CB C 32.130 0.000 . 690 81 81 VAL CG1 C 21.730 0.000 . 691 81 81 VAL CG2 C 21.730 0.000 . 692 81 81 VAL N N 119.178 0.020 . 693 82 82 THR H H 9.198 0.006 . 694 82 82 THR HA H 4.336 0.000 . 695 82 82 THR HB H 4.187 0.000 . 696 82 82 THR HG2 H 1.163 0.001 . 697 82 82 THR CA C 63.515 0.000 . 698 82 82 THR CB C 71.769 0.000 . 699 82 82 THR CG2 C 21.810 0.000 . 700 82 82 THR N N 125.434 0.041 . stop_ save_