data_16948 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of GTPase effector domain of Dynamin in the aprotic solvent deuterated Dimethyl Sulfoxide ; _BMRB_accession_number 16948 _BMRB_flat_file_name bmr16948.str _Entry_type original _Submission_date 2010-05-24 _Accession_date 2010-05-24 _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 Hosur Ramakrishna V. . 2 Chakraborty Swagata . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 557 "13C chemical shifts" 366 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-24 original author . stop_ _Original_release_date 2011-05-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of GTPase effector domain of dynamin in the aprotic solvent deuterated dimethyl sulfoxide.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20936383 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chakraborty Swagata . . 2 Hosur Ramakrishna V. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 59 _Page_last 61 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GTPase Effector Domain ( GED)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Dynamin $GTPase_Effector_Domain_(GED) stop_ _System_molecular_weight . _System_physical_state denatured _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GTPase_Effector_Domain_(GED) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GTPase_Effector_Domain_(GED) _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; GSASFLRAGVYPERVGDKEK ASETEENGSDSFMHSMDPQL ERQVETIRNLVDSYMAIVNK TVRDLMPKTIMHLMINNTKE FIFSELLANLYSCGDQNTLM EESAEQAQRRDEMLRMYHAL KEALSIIGNINTTTVSTP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ALA 4 SER 5 PHE 6 LEU 7 ARG 8 ALA 9 GLY 10 VAL 11 TYR 12 PRO 13 GLU 14 ARG 15 VAL 16 GLY 17 ASP 18 LYS 19 GLU 20 LYS 21 ALA 22 SER 23 GLU 24 THR 25 GLU 26 GLU 27 ASN 28 GLY 29 SER 30 ASP 31 SER 32 PHE 33 MET 34 HIS 35 SER 36 MET 37 ASP 38 PRO 39 GLN 40 LEU 41 GLU 42 ARG 43 GLN 44 VAL 45 GLU 46 THR 47 ILE 48 ARG 49 ASN 50 LEU 51 VAL 52 ASP 53 SER 54 TYR 55 MET 56 ALA 57 ILE 58 VAL 59 ASN 60 LYS 61 THR 62 VAL 63 ARG 64 ASP 65 LEU 66 MET 67 PRO 68 LYS 69 THR 70 ILE 71 MET 72 HIS 73 LEU 74 MET 75 ILE 76 ASN 77 ASN 78 THR 79 LYS 80 GLU 81 PHE 82 ILE 83 PHE 84 SER 85 GLU 86 LEU 87 LEU 88 ALA 89 ASN 90 LEU 91 TYR 92 SER 93 CYS 94 GLY 95 ASP 96 GLN 97 ASN 98 THR 99 LEU 100 MET 101 GLU 102 GLU 103 SER 104 ALA 105 GLU 106 GLN 107 ALA 108 GLN 109 ARG 110 ARG 111 ASP 112 GLU 113 MET 114 LEU 115 ARG 116 MET 117 TYR 118 HIS 119 ALA 120 LEU 121 LYS 122 GLU 123 ALA 124 LEU 125 SER 126 ILE 127 ILE 128 GLY 129 ASN 130 ILE 131 ASN 132 THR 133 THR 134 THR 135 VAL 136 SER 137 THR 138 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 15867 GED 100.00 138 100.00 100.00 5.62e-97 BMRB 15868 GED 100.00 138 100.00 100.00 5.62e-97 PDB 3SNH "Crystal Structure Of Nucleotide-free Human Dynamin1" 93.48 743 99.22 100.00 6.68e-82 PDB 3ZVR "Crystal Structure Of Dynamin" 97.83 772 99.26 100.00 1.21e-85 PDB 4UUD "Human Dynamin 1 K44a Superconstricted Polymer Stabilized With Gtp" 98.55 864 99.26 100.00 2.13e-86 PDB 4UUK "Human Dynamin 1 K44a Superconstricted Polymer Stabilized With Gtp Strand 2" 98.55 864 99.26 100.00 2.13e-86 DBJ BAD90284 "mKIAA4093 protein [Mus musculus]" 98.55 871 99.26 100.00 1.60e-86 DBJ BAE25726 "unnamed protein product [Mus musculus]" 98.55 864 99.26 100.00 2.22e-86 DBJ BAG53342 "unnamed protein product [Homo sapiens]" 98.55 396 98.53 99.26 1.92e-90 DBJ BAG58137 "unnamed protein product [Homo sapiens]" 98.55 790 99.26 100.00 7.97e-87 DBJ BAG59018 "unnamed protein product [Homo sapiens]" 98.55 851 99.26 100.00 1.72e-86 EMBL CAA38397 "D100 [Rattus norvegicus]" 98.55 851 99.26 100.00 1.86e-86 GB AAA02803 "dynamin [Homo sapiens]" 98.55 864 100.00 100.00 3.79e-87 GB AAA37318 "dynamin, partial [Mus musculus domesticus]" 91.30 743 100.00 100.00 3.03e-80 GB AAA37319 "dynamin, partial [Mus musculus domesticus]" 95.65 243 98.48 99.24 6.64e-92 GB AAA37323 "dynamin, partial [Mus musculus]" 98.55 612 98.53 99.26 1.31e-87 GB AAA37324 "dynamin [Mus musculus]" 98.55 861 98.53 99.26 1.59e-85 PIR B40671 "dynamin, internal form 2, short C-terminal form - human" 98.55 851 100.00 100.00 4.82e-87 PRF 1614348A "dynamin 1 D100 protein" 98.55 851 99.26 100.00 1.86e-86 REF NP_001005336 "dynamin-1 isoform 2 [Homo sapiens]" 98.55 851 99.26 100.00 2.30e-86 REF NP_001070288 "dynamin-1 [Bos taurus]" 98.55 856 99.26 100.00 1.40e-86 REF NP_001124521 "dynamin-1 [Canis lupus familiaris]" 98.55 864 99.26 100.00 1.86e-86 REF NP_001275666 "dynamin-1 isoform 3 [Homo sapiens]" 98.55 851 99.26 100.00 1.48e-86 REF NP_001275667 "dynamin-1 isoform 3 [Homo sapiens]" 98.55 851 99.26 100.00 1.48e-86 SP P21575 "RecName: Full=Dynamin-1; AltName: Full=B-dynamin; AltName: Full=D100; AltName: Full=Dynamin, brain" 98.55 864 99.26 100.00 1.76e-86 SP P39053 "RecName: Full=Dynamin-1" 98.55 867 99.26 100.00 2.46e-86 SP Q05193 "RecName: Full=Dynamin-1" 98.55 864 99.26 100.00 2.13e-86 SP Q08DF4 "RecName: Full=Dynamin-1" 98.55 856 99.26 100.00 1.40e-86 TPG DAA24145 "TPA: dynamin-1 [Bos taurus]" 98.55 856 99.26 100.00 1.40e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GTPase_Effector_Domain_(GED) Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $GTPase_Effector_Domain_(GED) 'recombinant technology' . Escherichia coli . pGEX4T1 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 $GTPase_Effector_Domain_(GED) . mM 1 1.5 '[U-100% 13C; U-100% 15N]' DMSO 100 % . . 'natural abundance' 'Sodium chloride' 150 mM . . 'natural abundance' 'Acetate buffer' 20 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' "Rochus' PhD thesis, Diss. ETH Nr. 15947." www.nmr.ch. stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNN_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNN' _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' 150 . mM pH 6 . pH pressure 1 . atm temperature 318 0.5 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CA)CO' '3D CBCA(CO)NH' '3D CBCANH' '3D HNCA' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNN' 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 Dynamin _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 2 2 SER H H 8.464 0.02 1 2 2 2 SER HA H 4.164 0.02 1 3 2 2 SER HB2 H 3.409 0.02 1 4 2 2 SER HB3 H 3.409 0.02 1 5 2 2 SER C C 170.874 0.3 1 6 2 2 SER CA C 55.653 0.3 1 7 2 2 SER CB C 61.837 0.3 1 8 2 2 SER N N 116.206 0.3 1 9 3 3 ALA H H 8.041 0.02 1 10 3 3 ALA HA H 4.092 0.02 1 11 3 3 ALA HB H 1.115 0.02 1 12 3 3 ALA C C 172.643 0.3 1 13 3 3 ALA CA C 48.656 0.3 1 14 3 3 ALA CB C 17.737 0.3 1 15 3 3 ALA N N 122.761 0.3 1 16 4 4 SER H H 7.702 0.02 1 17 4 4 SER HA H 4.032 0.02 1 18 4 4 SER HB2 H 3.350 0.02 1 19 4 4 SER HB3 H 3.350 0.02 1 20 4 4 SER C C 170.462 0.3 1 21 4 4 SER CA C 55.735 0.3 1 22 4 4 SER CB C 61.837 0.3 1 23 4 4 SER N N 112.352 0.3 1 24 5 5 PHE H H 7.756 0.02 1 25 5 5 PHE HA H 4.258 0.02 1 26 5 5 PHE HB2 H 2.876 0.02 2 27 5 5 PHE HB3 H 2.642 0.02 2 28 5 5 PHE C C 173.476 0.3 1 29 5 5 PHE CA C 54.453 0.3 1 30 5 5 PHE CB C 36.974 0.3 1 31 5 5 PHE N N 118.031 0.3 1 32 6 6 LEU H H 7.792 0.02 1 33 6 6 LEU HA H 4.068 0.02 1 34 6 6 LEU HB2 H 1.300 0.02 1 35 6 6 LEU HB3 H 1.300 0.02 1 36 6 6 LEU HD1 H 0.638 0.02 1 37 6 6 LEU HD2 H 0.638 0.02 1 38 6 6 LEU C C 172.543 0.3 1 39 6 6 LEU CA C 51.704 0.3 1 40 6 6 LEU CB C 40.703 0.3 1 41 6 6 LEU N N 118.212 0.3 1 42 7 7 ARG H H 7.690 0.02 1 43 7 7 ARG HA H 4.046 0.02 1 44 7 7 ARG HB2 H 1.528 0.02 1 45 7 7 ARG HB3 H 1.528 0.02 1 46 7 7 ARG HD2 H 2.899 0.02 1 47 7 7 ARG HD3 H 2.899 0.02 1 48 7 7 ARG HG2 H 1.332 0.02 1 49 7 7 ARG HG3 H 1.332 0.02 1 50 7 7 ARG C C 171.274 0.3 1 51 7 7 ARG CA C 52.294 0.3 1 52 7 7 ARG CB C 28.802 0.3 1 53 7 7 ARG N N 117.596 0.3 1 54 8 8 ALA H H 7.758 0.02 1 55 8 8 ALA HA H 4.039 0.02 1 56 8 8 ALA HB H 1.040 0.02 1 57 8 8 ALA C C 172.777 0.3 1 58 8 8 ALA CA C 48.493 0.3 1 59 8 8 ALA CB C 18.144 0.3 1 60 8 8 ALA N N 120.702 0.3 1 61 9 9 GLY H H 7.889 0.02 1 62 9 9 GLY HA2 H 3.591 0.02 2 63 9 9 GLY HA3 H 3.461 0.02 2 64 9 9 GLY C C 168.797 0.3 1 65 9 9 GLY CA C 42.309 0.3 1 66 9 9 GLY N N 104.668 0.3 1 67 10 10 VAL H H 7.385 0.02 1 68 10 10 VAL HA H 3.987 0.02 1 69 10 10 VAL HB H 1.724 0.02 1 70 10 10 VAL HG1 H 0.548 0.02 1 71 10 10 VAL HG2 H 0.548 0.02 1 72 10 10 VAL C C 170.865 0.3 1 73 10 10 VAL CA C 57.499 0.3 1 74 10 10 VAL CB C 30.674 0.3 1 75 10 10 VAL N N 113.407 0.3 1 76 11 11 TYR H H 7.953 0.02 1 77 11 11 TYR HA H 4.380 0.02 1 78 11 11 TYR HB2 H 2.691 0.02 2 79 11 11 TYR HB3 H 2.494 0.02 2 80 11 11 TYR C C 170.136 0.3 1 81 11 11 TYR CA C 52.643 0.3 1 82 11 11 TYR CB C 35.963 0.3 1 83 11 11 TYR N N 121.162 0.3 1 84 13 13 GLU H H 7.857 0.02 1 85 13 13 GLU HA H 4.069 0.02 1 86 13 13 GLU HB2 H 1.633 0.02 1 87 13 13 GLU HB3 H 1.633 0.02 1 88 13 13 GLU HG2 H 2.090 0.02 1 89 13 13 GLU HG3 H 2.090 0.02 1 90 13 13 GLU C C 171.752 0.3 1 91 13 13 GLU CA C 52.279 0.3 1 92 13 13 GLU CB C 27.175 0.3 1 93 13 13 GLU N N 116.631 0.3 1 94 14 14 ARG H H 7.760 0.02 1 95 14 14 ARG HA H 4.151 0.02 1 96 14 14 ARG HB2 H 1.334 0.02 1 97 14 14 ARG HB3 H 1.334 0.02 1 98 14 14 ARG C C 171.682 0.3 1 99 14 14 ARG CA C 52.186 0.3 1 100 14 14 ARG CB C 28.889 0.3 1 101 14 14 ARG N N 118.238 0.3 1 102 15 15 VAL H H 7.655 0.02 1 103 15 15 VAL HA H 3.939 0.02 1 104 15 15 VAL HB H 1.803 0.02 1 105 15 15 VAL HG1 H 0.653 0.02 1 106 15 15 VAL HG2 H 0.653 0.02 1 107 15 15 VAL C C 171.682 0.3 1 108 15 15 VAL CA C 58.384 0.3 1 109 15 15 VAL CB C 30.430 0.3 1 110 15 15 VAL N N 115.869 0.3 1 111 16 16 GLY H H 7.968 0.02 1 112 16 16 GLY HA2 H 3.568 0.02 1 113 16 16 GLY HA3 H 3.568 0.02 1 114 16 16 GLY C C 169.305 0.3 1 115 16 16 GLY CA C 41.984 0.3 1 116 16 16 GLY N N 108.152 0.3 1 117 17 17 ASP H H 8.016 0.02 1 118 17 17 ASP HA H 4.372 0.02 1 119 17 17 ASP HB3 H 2.358 0.02 1 120 17 17 ASP C C 169.305 0.3 1 121 17 17 ASP CA C 49.827 0.3 1 122 17 17 ASP CB C 36.083 0.3 1 123 17 17 ASP N N 117.261 0.3 1 124 18 18 LYS H H 7.829 0.02 1 125 18 18 LYS HA H 4.389 0.02 1 126 18 18 LYS C C 172.189 0.3 1 127 18 18 LYS CA C 53.026 0.3 1 128 18 18 LYS CB C 26.832 0.3 1 129 18 18 LYS N N 117.132 0.3 1 130 19 19 GLU H H 7.782 0.02 1 131 19 19 GLU HA H 4.017 0.02 1 132 19 19 GLU HB2 H 1.735 0.02 2 133 19 19 GLU HB3 H 1.609 0.02 2 134 19 19 GLU HG2 H 2.106 0.02 1 135 19 19 GLU HG3 H 2.106 0.02 1 136 19 19 GLU C C 171.445 0.3 1 137 19 19 GLU CA C 53.312 0.3 1 138 19 19 GLU CB C 26.850 0.3 1 139 19 19 GLU N N 117.574 0.3 1 140 20 20 LYS H H 7.656 0.02 1 141 20 20 LYS HA H 4.017 0.02 1 142 20 20 LYS HB2 H 1.306 0.02 1 143 20 20 LYS HB3 H 1.306 0.02 1 144 20 20 LYS HG2 H 1.148 0.02 1 145 20 20 LYS HG3 H 1.148 0.02 1 146 20 20 LYS C C 171.697 0.3 1 147 20 20 LYS CA C 52.399 0.3 1 148 20 20 LYS CB C 31.162 0.3 1 149 20 20 LYS N N 118.047 0.3 1 150 21 21 ALA H H 7.908 0.02 1 151 21 21 ALA HA H 4.125 0.02 1 152 21 21 ALA HB H 1.043 0.02 1 153 21 21 ALA C C 172.710 0.3 1 154 21 21 ALA CA C 48.575 0.3 1 155 21 21 ALA CB C 17.981 0.3 1 156 21 21 ALA N N 121.514 0.3 1 157 22 22 SER H H 7.749 0.02 1 158 22 22 SER HA H 4.093 0.02 1 159 22 22 SER HB2 H 3.414 0.02 1 160 22 22 SER HB3 H 3.414 0.02 1 161 22 22 SER C C 170.514 0.3 1 162 22 22 SER CA C 55.247 0.3 1 163 22 22 SER CB C 61.756 0.3 1 164 22 22 SER N N 112.426 0.3 1 165 23 23 GLU H H 7.824 0.02 1 166 23 23 GLU HA H 4.138 0.02 1 167 23 23 GLU HB2 H 1.750 0.02 2 168 23 23 GLU HB3 H 1.592 0.02 2 169 23 23 GLU HG2 H 2.077 0.02 1 170 23 23 GLU HG3 H 2.077 0.02 1 171 23 23 GLU C C 171.600 0.3 1 172 23 23 GLU CA C 52.317 0.3 1 173 23 23 GLU CB C 27.257 0.3 1 174 23 23 GLU N N 118.577 0.3 1 175 24 24 THR H H 7.580 0.02 1 176 24 24 THR HA H 4.002 0.02 1 177 24 24 THR HB H 3.826 0.02 1 178 24 24 THR HG2 H 0.849 0.02 1 179 24 24 THR C C 170.331 0.3 1 180 24 24 THR CA C 58.501 0.3 1 181 24 24 THR CB C 66.801 0.3 1 182 24 24 THR N N 111.706 0.3 1 183 25 25 GLU H H 7.779 0.02 1 184 25 25 GLU HA H 4.082 0.02 1 185 25 25 GLU HB2 H 1.724 0.02 2 186 25 25 GLU HB3 H 1.598 0.02 2 187 25 25 GLU HG2 H 2.077 0.02 1 188 25 25 GLU HG3 H 2.077 0.02 1 189 25 25 GLU C C 171.535 0.3 1 190 25 25 GLU CA C 52.298 0.3 1 191 25 25 GLU CB C 27.175 0.3 1 192 25 25 GLU N N 118.915 0.3 1 193 26 26 GLU H H 7.743 0.02 1 194 26 26 GLU HA H 4.028 0.02 1 195 26 26 GLU HB2 H 1.728 0.02 2 196 26 26 GLU HB3 H 1.593 0.02 2 197 26 26 GLU HG2 H 2.061 0.02 1 198 26 26 GLU HG3 H 2.061 0.02 1 199 26 26 GLU C C 171.177 0.3 1 200 26 26 GLU CA C 52.339 0.3 1 201 26 26 GLU CB C 27.175 0.3 1 202 26 26 GLU N N 117.546 0.3 1 203 27 27 ASN H H 7.873 0.02 1 204 27 27 ASN HA H 4.350 0.02 1 205 27 27 ASN HB2 H 2.338 0.02 1 206 27 27 ASN HB3 H 2.338 0.02 1 207 27 27 ASN C C 171.632 0.3 1 208 27 27 ASN CA C 50.105 0.3 1 209 27 27 ASN CB C 37.253 0.3 1 210 27 27 ASN N N 117.584 0.3 1 211 28 28 GLY H H 7.885 0.02 1 212 28 28 GLY HA2 H 3.617 0.02 2 213 28 28 GLY HA3 H 3.487 0.02 2 214 28 28 GLY C C 169.550 0.3 1 215 28 28 GLY CA C 42.635 0.3 1 216 28 28 GLY N N 105.908 0.3 1 217 29 29 SER H H 7.785 0.02 1 218 29 29 SER HA H 4.086 0.02 1 219 29 29 SER HB2 H 3.409 0.02 1 220 29 29 SER HB3 H 3.409 0.02 1 221 29 29 SER C C 170.606 0.3 1 222 29 29 SER CA C 55.491 0.3 1 223 29 29 SER CB C 61.919 0.3 1 224 29 29 SER N N 113.122 0.3 1 225 30 30 ASP H H 8.082 0.02 1 226 30 30 ASP HA H 4.422 0.02 1 227 30 30 ASP HB2 H 2.547 0.02 2 228 30 30 ASP HB3 H 2.358 0.02 2 229 30 30 ASP C C 170.982 0.3 1 230 30 30 ASP CA C 49.632 0.3 1 231 30 30 ASP CB C 35.963 0.3 1 232 30 30 ASP N N 119.098 0.3 1 233 31 31 SER H H 7.482 0.02 1 234 31 31 SER HA H 4.012 0.02 1 235 31 31 SER HB2 H 3.318 0.02 1 236 31 31 SER HB3 H 3.318 0.02 1 237 31 31 SER C C 170.266 0.3 1 238 31 31 SER CA C 55.572 0.3 1 239 31 31 SER CB C 61.593 0.3 1 240 31 31 SER N N 112.560 0.3 1 241 32 32 PHE H H 7.791 0.02 1 242 32 32 PHE HA H 4.272 0.02 1 243 32 32 PHE HB2 H 2.861 0.02 2 244 32 32 PHE HB3 H 2.629 0.02 2 245 32 32 PHE C C 171.437 0.3 1 246 32 32 PHE CA C 54.411 0.3 1 247 32 32 PHE CB C 37.102 0.3 1 248 32 32 PHE N N 118.170 0.3 1 249 33 33 MET H H 7.881 0.02 1 250 33 33 MET HA H 4.118 0.02 1 251 33 33 MET HB2 H 1.646 0.02 1 252 33 33 MET HB3 H 1.646 0.02 1 253 33 33 MET HG2 H 2.221 0.02 1 254 33 33 MET HG3 H 2.221 0.02 1 255 33 33 MET C C 171.437 0.3 1 256 33 33 MET CA C 52.480 0.3 1 257 33 33 MET CB C 31.406 0.3 1 258 33 33 MET N N 117.160 0.3 1 259 34 34 HIS H H 7.976 0.02 1 260 34 34 HIS HA H 4.441 0.02 1 261 34 34 HIS HB2 H 2.953 0.02 2 262 34 34 HIS HB3 H 2.824 0.02 2 263 34 34 HIS C C 170.169 0.3 1 264 34 34 HIS CA C 51.992 0.3 1 265 34 34 HIS CB C 27.013 0.3 1 266 34 34 HIS N N 116.343 0.3 1 267 35 35 SER H H 8.002 0.02 1 268 35 35 SER HA H 4.121 0.02 1 269 35 35 SER HB2 H 3.410 0.02 1 270 35 35 SER HB3 H 3.410 0.02 1 271 35 35 SER C C 170.467 0.3 1 272 35 35 SER CA C 55.491 0.3 1 273 35 35 SER CB C 61.675 0.3 1 274 35 35 SER N N 114.522 0.3 1 275 36 36 MET H H 7.976 0.02 1 276 36 36 MET HA H 4.177 0.02 1 277 36 36 MET HB2 H 1.640 0.02 1 278 36 36 MET HB3 H 1.640 0.02 1 279 36 36 MET HG2 H 2.247 0.02 1 280 36 36 MET HG3 H 2.247 0.02 1 281 36 36 MET C C 171.152 0.3 1 282 36 36 MET CA C 52.073 0.3 1 283 36 36 MET CB C 31.895 0.3 1 284 36 36 MET N N 118.592 0.3 1 285 37 37 ASP H H 8.116 0.02 1 286 37 37 ASP HA H 4.619 0.02 1 287 37 37 ASP HB2 H 2.561 0.02 2 288 37 37 ASP HB3 H 2.320 0.02 2 289 37 37 ASP C C 169.852 0.3 1 290 37 37 ASP CA C 48.018 0.3 1 291 37 37 ASP CB C 35.800 0.3 1 292 37 37 ASP N N 117.219 0.3 1 293 39 39 GLN H H 7.652 0.02 1 294 39 39 GLN HA H 3.954 0.02 1 295 39 39 GLN HB2 H 1.703 0.02 1 296 39 39 GLN HB3 H 1.703 0.02 1 297 39 39 GLN HG2 H 2.076 0.02 1 298 39 39 GLN HG3 H 2.076 0.02 1 299 39 39 GLN C C 171.998 0.3 1 300 39 39 GLN CA C 53.251 0.3 1 301 39 39 GLN CB C 26.850 0.3 1 302 39 39 GLN N N 117.503 0.3 1 303 40 40 LEU H H 7.468 0.02 1 304 40 40 LEU HA H 4.021 0.02 1 305 40 40 LEU HB2 H 1.293 0.02 1 306 40 40 LEU HB3 H 1.293 0.02 1 307 40 40 LEU HD1 H 0.632 0.02 1 308 40 40 LEU HD2 H 0.632 0.02 1 309 40 40 LEU C C 172.738 0.3 1 310 40 40 LEU CA C 51.504 0.3 1 311 40 40 LEU CB C 40.519 0.3 1 312 40 40 LEU N N 117.966 0.3 1 313 41 41 GLU H H 7.623 0.02 1 314 41 41 GLU HA H 3.999 0.02 1 315 41 41 GLU HB2 H 1.633 0.02 1 316 41 41 GLU HB3 H 1.633 0.02 1 317 41 41 GLU HG2 H 2.077 0.02 1 318 41 41 GLU HG3 H 2.077 0.02 1 319 41 41 GLU C C 171.665 0.3 1 320 41 41 GLU CA C 52.561 0.3 1 321 41 41 GLU CB C 27.013 0.3 1 322 41 41 GLU N N 116.668 0.3 1 323 42 42 ARG H H 7.661 0.02 1 324 42 42 ARG HA H 4.029 0.02 1 325 42 42 ARG HB2 H 1.492 0.02 2 326 42 42 ARG HB3 H 1.324 0.02 2 327 42 42 ARG C C 171.819 0.3 1 328 42 42 ARG CA C 52.480 0.3 1 329 42 42 ARG CB C 28.803 0.3 1 330 42 42 ARG N N 117.887 0.3 1 331 43 43 GLN H H 7.902 0.02 1 332 43 43 GLN HA H 4.047 0.02 1 333 43 43 GLN HB2 H 1.646 0.02 1 334 43 43 GLN HB3 H 1.646 0.02 1 335 43 43 GLN HG2 H 1.972 0.02 1 336 43 43 GLN HG3 H 1.972 0.02 1 337 43 43 GLN C C 171.811 0.3 1 338 43 43 GLN CA C 52.846 0.3 1 339 43 43 GLN CB C 27.554 0.3 1 340 43 43 GLN N N 118.795 0.3 1 341 44 44 VAL H H 7.568 0.02 1 342 44 44 VAL HA H 3.944 0.02 1 343 44 44 VAL HB H 1.802 0.02 1 344 44 44 VAL HG1 H 0.613 0.02 1 345 44 44 VAL HG2 H 0.613 0.02 1 346 44 44 VAL C C 171.425 0.3 1 347 44 44 VAL CA C 58.228 0.3 1 348 44 44 VAL CB C 30.430 0.3 1 349 44 44 VAL N N 115.129 0.3 1 350 45 45 GLU H H 7.895 0.02 1 351 45 45 GLU HA H 4.118 0.02 1 352 45 45 GLU HB2 H 1.635 0.02 1 353 45 45 GLU HB3 H 1.635 0.02 1 354 45 45 GLU HG2 H 2.092 0.02 1 355 45 45 GLU HG3 H 2.092 0.02 1 356 45 45 GLU C C 171.665 0.3 1 357 45 45 GLU CA C 52.480 0.3 1 358 45 45 GLU CB C 27.257 0.3 1 359 45 45 GLU N N 119.735 0.3 1 360 46 46 THR H H 7.602 0.02 1 361 46 46 THR HA H 4.092 0.02 1 362 46 46 THR HB H 3.831 0.02 1 363 46 46 THR HG2 H 0.848 0.02 1 364 46 46 THR C C 170.429 0.3 1 365 46 46 THR CA C 58.373 0.3 1 366 46 46 THR CB C 66.712 0.3 1 367 46 46 THR N N 112.708 0.3 1 368 47 47 ILE H H 7.648 0.02 1 369 47 47 ILE HA H 3.997 0.02 1 370 47 47 ILE HB H 1.573 0.02 1 371 47 47 ILE HG2 H 0.617 0.02 1 372 47 47 ILE C C 171.705 0.3 1 373 47 47 ILE CA C 57.804 0.3 1 374 47 47 ILE CB C 36.217 0.3 1 375 47 47 ILE N N 118.159 0.3 1 376 48 48 ARG H H 7.842 0.02 1 377 48 48 ARG HA H 4.006 0.02 1 378 48 48 ARG HB2 H 1.453 0.02 2 379 48 48 ARG HB3 H 1.342 0.02 2 380 48 48 ARG C C 171.697 0.3 1 381 48 48 ARG CA C 52.806 0.3 1 382 48 48 ARG CB C 28.803 0.3 1 383 48 48 ARG N N 120.493 0.3 1 384 49 49 ASN H H 7.819 0.02 1 385 49 49 ASN HA H 4.332 0.02 1 386 49 49 ASN HB2 H 2.339 0.02 1 387 49 49 ASN HB3 H 2.339 0.02 1 388 49 49 ASN C C 171.431 0.3 1 389 49 49 ASN CA C 50.283 0.3 1 390 49 49 ASN CB C 37.021 0.3 1 391 49 49 ASN N N 117.154 0.3 1 392 50 50 LEU H H 7.746 0.02 1 393 50 50 LEU HA H 4.044 0.02 1 394 50 50 LEU HB2 H 1.306 0.02 1 395 50 50 LEU HB3 H 1.306 0.02 1 396 50 50 LEU HD1 H 0.625 0.02 1 397 50 50 LEU HD2 H 0.625 0.02 1 398 50 50 LEU C C 172.770 0.3 1 399 50 50 LEU CA C 52.090 0.3 1 400 50 50 LEU CB C 40.357 0.3 1 401 50 50 LEU N N 118.991 0.3 1 402 51 51 VAL H H 7.506 0.02 1 403 51 51 VAL HA H 3.846 0.02 1 404 51 51 VAL HB H 1.812 0.02 1 405 51 51 VAL HG1 H 0.629 0.02 1 406 51 51 VAL HG2 H 0.629 0.02 1 407 51 51 VAL C C 171.600 0.3 1 408 51 51 VAL CA C 58.664 0.3 1 409 51 51 VAL CB C 30.104 0.3 1 410 51 51 VAL N N 114.315 0.3 1 411 52 52 ASP H H 7.946 0.02 1 412 52 52 ASP HA H 4.364 0.02 1 413 52 52 ASP HB2 H 2.495 0.02 2 414 52 52 ASP HB3 H 2.380 0.02 2 415 52 52 ASP C C 171.112 0.3 1 416 52 52 ASP CA C 49.876 0.3 1 417 52 52 ASP CB C 35.882 0.3 1 418 52 52 ASP N N 119.071 0.3 1 419 53 53 SER H H 7.492 0.02 1 420 53 53 SER HA H 4.014 0.02 1 421 53 53 SER HB2 H 3.470 0.02 1 422 53 53 SER HB3 H 3.470 0.02 1 423 53 53 SER C C 170.331 0.3 1 424 53 53 SER CA C 55.572 0.3 1 425 53 53 SER CB C 61.593 0.3 1 426 53 53 SER N N 112.907 0.3 1 427 54 54 TYR H H 7.731 0.02 1 428 54 54 TYR HA H 4.142 0.02 1 429 54 54 TYR HB2 H 2.730 0.02 2 430 54 54 TYR HB3 H 2.579 0.02 2 431 54 54 TYR C C 171.665 0.3 1 432 54 54 TYR CA C 55.263 0.3 1 433 54 54 TYR CB C 36.298 0.3 1 434 54 54 TYR N N 118.521 0.3 1 435 55 55 MET H H 7.782 0.02 1 436 55 55 MET HA H 4.081 0.02 1 437 55 55 MET HB2 H 1.659 0.02 1 438 55 55 MET HB3 H 1.659 0.02 1 439 55 55 MET HG2 H 2.260 0.02 1 440 55 55 MET HG3 H 2.260 0.02 1 441 55 55 MET C C 171.372 0.3 1 442 55 55 MET CA C 52.317 0.3 1 443 55 55 MET CB C 31.650 0.3 1 444 55 55 MET N N 116.613 0.3 1 445 56 56 ALA H H 7.714 0.02 1 446 56 56 ALA HA H 4.084 0.02 1 447 56 56 ALA HB H 1.029 0.02 1 448 56 56 ALA C C 172.630 0.3 1 449 56 56 ALA CA C 48.737 0.3 1 450 56 56 ALA CB C 17.655 0.3 1 451 56 56 ALA N N 121.150 0.3 1 452 57 57 ILE H H 7.592 0.02 1 453 57 57 ILE HA H 3.931 0.02 1 454 57 57 ILE HB H 1.566 0.02 1 455 57 57 ILE HG2 H 0.600 0.02 1 456 57 57 ILE C C 171.600 0.3 1 457 57 57 ILE CA C 57.707 0.3 1 458 57 57 ILE CB C 36.126 0.3 1 459 57 57 ILE N N 115.479 0.3 1 460 58 58 VAL H H 7.490 0.02 1 461 58 58 VAL HA H 3.959 0.02 1 462 58 58 VAL HB H 1.789 0.02 1 463 58 58 VAL C C 171.356 0.3 1 464 58 58 VAL CA C 57.729 0.3 1 465 58 58 VAL CB C 30.339 0.3 1 466 58 58 VAL N N 117.121 0.3 1 467 59 59 ASN H H 7.932 0.02 1 468 59 59 ASN HA H 4.353 0.02 1 469 59 59 ASN HB2 H 2.338 0.02 1 470 59 59 ASN HB3 H 2.338 0.02 1 471 59 59 ASN CA C 50.202 0.3 1 472 59 59 ASN CB C 37.102 0.3 1 473 59 59 ASN N N 119.901 0.3 1 474 60 60 LYS H H 7.731 0.02 1 475 60 60 LYS HA H 4.070 0.02 1 476 60 60 LYS HB2 H 1.364 0.02 1 477 60 60 LYS HB3 H 1.364 0.02 1 478 60 60 LYS C C 172.152 0.3 1 479 60 60 LYS CA C 53.015 0.3 1 480 60 60 LYS CB C 31.028 0.3 1 481 60 60 LYS N N 117.918 0.3 1 482 61 61 THR H H 7.715 0.02 1 483 61 61 THR HA H 4.021 0.02 1 484 61 61 THR HB H 3.825 0.02 1 485 61 61 THR HG2 H 0.846 0.02 1 486 61 61 THR C C 170.721 0.3 1 487 61 61 THR CA C 59.234 0.3 1 488 61 61 THR CB C 66.475 0.3 1 489 61 61 THR N N 112.066 0.3 1 490 62 62 VAL H H 7.496 0.02 1 491 62 62 VAL HA H 3.934 0.02 1 492 62 62 VAL HB H 1.808 0.02 1 493 62 62 VAL HG1 H 0.639 0.02 1 494 62 62 VAL HG2 H 0.639 0.02 1 495 62 62 VAL C C 171.600 0.3 1 496 62 62 VAL CA C 58.514 0.3 1 497 62 62 VAL CB C 30.023 0.3 1 498 62 62 VAL N N 116.362 0.3 1 499 63 63 ARG H H 7.803 0.02 1 500 63 63 ARG HA H 4.023 0.02 1 501 63 63 ARG HB2 H 1.496 0.02 2 502 63 63 ARG HB3 H 1.349 0.02 2 503 63 63 ARG HD2 H 2.883 0.02 1 504 63 63 ARG HD3 H 2.883 0.02 1 505 63 63 ARG C C 171.749 0.3 1 506 63 63 ARG CA C 52.766 0.3 1 507 63 63 ARG CB C 28.803 0.3 1 508 63 63 ARG N N 119.838 0.3 1 509 64 64 ASP H H 7.933 0.02 1 510 64 64 ASP HA H 4.320 0.02 1 511 64 64 ASP HB2 H 2.505 0.02 2 512 64 64 ASP HB3 H 2.367 0.02 2 513 64 64 ASP C C 170.559 0.3 1 514 64 64 ASP CA C 49.876 0.3 1 515 64 64 ASP CB C 36.044 0.3 1 516 64 64 ASP N N 117.281 0.3 1 517 65 65 LEU H H 7.485 0.02 1 518 65 65 LEU HA H 4.047 0.02 1 519 65 65 LEU HB2 H 1.267 0.02 1 520 65 65 LEU HB3 H 1.267 0.02 1 521 65 65 LEU HD1 H 0.623 0.02 1 522 65 65 LEU HD2 H 0.623 0.02 1 523 65 65 LEU C C 172.072 0.3 1 524 65 65 LEU CA C 51.231 0.3 1 525 65 65 LEU CB C 40.763 0.3 1 526 65 65 LEU N N 117.726 0.3 1 527 66 66 MET H H 7.759 0.02 1 528 66 66 MET HA H 4.264 0.02 1 529 66 66 MET HB2 H 1.657 0.02 1 530 66 66 MET HB3 H 1.657 0.02 1 531 66 66 MET HG2 H 2.331 0.02 1 532 66 66 MET HG3 H 2.331 0.02 1 533 66 66 MET C C 171.286 0.3 1 534 66 66 MET CA C 50.015 0.3 1 535 66 66 MET CB C 30.918 0.3 1 536 66 66 MET N N 117.917 0.3 1 537 68 68 LYS H H 8.048 0.02 1 538 68 68 LYS HA H 4.024 0.02 1 539 68 68 LYS HB2 H 1.397 0.02 1 540 68 68 LYS HB3 H 1.397 0.02 1 541 68 68 LYS HG2 H 1.175 0.02 1 542 68 68 LYS HG3 H 1.175 0.02 1 543 68 68 LYS C C 172.189 0.3 1 544 68 68 LYS CA C 53.050 0.3 1 545 68 68 LYS CB C 30.837 0.3 1 546 68 68 LYS N N 117.690 0.3 1 547 69 69 THR H H 7.509 0.02 1 548 69 69 THR HA H 4.021 0.02 1 549 69 69 THR HB H 3.816 0.02 1 550 69 69 THR HG2 H 0.822 0.02 1 551 69 69 THR C C 170.370 0.3 1 552 69 69 THR CA C 58.583 0.3 1 553 69 69 THR CB C 66.719 0.3 1 554 69 69 THR N N 111.564 0.3 1 555 70 70 ILE H H 7.482 0.02 1 556 70 70 ILE HA H 3.946 0.02 1 557 70 70 ILE HB H 1.580 0.02 1 558 70 70 ILE HG2 H 0.619 0.02 1 559 70 70 ILE C C 171.453 0.3 1 560 70 70 ILE CA C 57.551 0.3 1 561 70 70 ILE CB C 36.288 0.3 1 562 70 70 ILE N N 117.395 0.3 1 563 71 71 MET H H 7.868 0.02 1 564 71 71 MET HA H 4.089 0.02 1 565 71 71 MET HB2 H 1.646 0.02 1 566 71 71 MET HB3 H 1.646 0.02 1 567 71 71 MET HG2 H 2.234 0.02 1 568 71 71 MET HG3 H 2.234 0.02 1 569 71 71 MET C C 171.513 0.3 1 570 71 71 MET CA C 52.416 0.3 1 571 71 71 MET CB C 31.596 0.3 1 572 71 71 MET N N 119.996 0.3 1 573 72 72 HIS H H 7.943 0.02 1 574 72 72 HIS HA H 4.398 0.02 1 575 72 72 HIS HB2 H 2.954 0.02 2 576 72 72 HIS HB3 H 2.808 0.02 2 577 72 72 HIS C C 170.104 0.3 1 578 72 72 HIS CA C 51.986 0.3 1 579 72 72 HIS CB C 26.769 0.3 1 580 72 72 HIS N N 116.347 0.3 1 581 73 73 LEU H H 7.926 0.02 1 582 73 73 LEU HA H 4.105 0.02 1 583 73 73 LEU HB2 H 1.282 0.02 1 584 73 73 LEU HB3 H 1.282 0.02 1 585 73 73 LEU C C 172.608 0.3 1 586 73 73 LEU CA C 51.829 0.3 1 587 73 73 LEU CB C 40.763 0.3 1 588 73 73 LEU N N 119.518 0.3 1 589 74 74 MET H H 7.997 0.02 1 590 74 74 MET HA H 4.177 0.02 1 591 74 74 MET HB2 H 1.659 0.02 1 592 74 74 MET HB3 H 1.659 0.02 1 593 74 74 MET HG2 H 2.273 0.02 1 594 74 74 MET HG3 H 2.273 0.02 1 595 74 74 MET C C 171.209 0.3 1 596 74 74 MET CA C 52.223 0.3 1 597 74 74 MET CB C 31.650 0.3 1 598 74 74 MET N N 118.586 0.3 1 599 75 75 ILE H H 7.481 0.02 1 600 75 75 ILE HA H 3.943 0.02 1 601 75 75 ILE HB H 1.515 0.02 1 602 75 75 ILE HG2 H 0.573 0.02 1 603 75 75 ILE C C 171.112 0.3 1 604 75 75 ILE CA C 57.016 0.3 1 605 75 75 ILE CB C 36.939 0.3 1 606 75 75 ILE N N 116.212 0.3 1 607 76 76 ASN H H 7.966 0.02 1 608 76 76 ASN HA H 4.364 0.02 1 609 76 76 ASN HB2 H 2.338 0.02 1 610 76 76 ASN HB3 H 2.338 0.02 1 611 76 76 ASN C C 171.268 0.3 1 612 76 76 ASN CA C 49.958 0.3 1 613 76 76 ASN CB C 37.183 0.3 1 614 76 76 ASN N N 119.937 0.3 1 615 77 77 ASN H H 7.874 0.02 1 616 77 77 ASN HA H 4.364 0.02 1 617 77 77 ASN HB2 H 2.339 0.02 1 618 77 77 ASN HB3 H 2.339 0.02 1 619 77 77 ASN C C 171.524 0.3 1 620 77 77 ASN CA C 49.952 0.3 1 621 77 77 ASN CB C 37.102 0.3 1 622 77 77 ASN N N 117.559 0.3 1 623 78 78 THR H H 7.568 0.02 1 624 78 78 THR HA H 3.983 0.02 1 625 78 78 THR HB H 3.774 0.02 1 626 78 78 THR HG2 H 0.833 0.02 1 627 78 78 THR C C 170.531 0.3 1 628 78 78 THR CA C 59.412 0.3 1 629 78 78 THR CB C 66.719 0.3 1 630 78 78 THR N N 111.580 0.3 1 631 79 79 LYS H H 7.716 0.02 1 632 79 79 LYS HA H 4.011 0.02 1 633 79 79 LYS HB2 H 1.371 0.02 1 634 79 79 LYS HB3 H 1.371 0.02 1 635 79 79 LYS HG2 H 1.111 0.02 1 636 79 79 LYS HG3 H 1.111 0.02 1 637 79 79 LYS C C 172.022 0.3 1 638 79 79 LYS CA C 53.026 0.3 1 639 79 79 LYS CB C 30.674 0.3 1 640 79 79 LYS N N 119.132 0.3 1 641 80 80 GLU H H 7.685 0.02 1 642 80 80 GLU HA H 4.001 0.02 1 643 80 80 GLU HB2 H 1.614 0.02 1 644 80 80 GLU HB3 H 1.614 0.02 1 645 80 80 GLU HG2 H 1.992 0.02 1 646 80 80 GLU HG3 H 1.992 0.02 1 647 80 80 GLU C C 171.527 0.3 1 648 80 80 GLU CA C 52.533 0.3 1 649 80 80 GLU CB C 27.186 0.3 1 650 80 80 GLU N N 116.916 0.3 1 651 81 81 PHE H H 7.715 0.02 1 652 81 81 PHE HA H 4.311 0.02 1 653 81 81 PHE HB2 H 2.746 0.02 2 654 81 81 PHE HB3 H 2.572 0.02 2 655 81 81 PHE C C 171.278 0.3 1 656 81 81 PHE CA C 54.189 0.3 1 657 81 81 PHE CB C 37.021 0.3 1 658 81 81 PHE N N 117.597 0.3 1 659 82 82 ILE H H 7.666 0.02 1 660 82 82 ILE HA H 3.904 0.02 1 661 82 82 ILE HB H 1.554 0.02 1 662 82 82 ILE HG2 H 0.521 0.02 1 663 82 82 ILE C C 171.382 0.3 1 664 82 82 ILE CA C 57.707 0.3 1 665 82 82 ILE CB C 36.880 0.3 1 666 82 82 ILE N N 116.723 0.3 1 667 83 83 PHE H H 7.849 0.02 1 668 83 83 PHE HA H 4.377 0.02 1 669 83 83 PHE HB2 H 2.876 0.02 2 670 83 83 PHE HB3 H 2.668 0.02 2 671 83 83 PHE C C 171.632 0.3 1 672 83 83 PHE CA C 54.352 0.3 1 673 83 83 PHE CB C 37.346 0.3 1 674 83 83 PHE N N 119.851 0.3 1 675 84 84 SER H H 7.864 0.02 1 676 84 84 SER HA H 4.068 0.02 1 677 84 84 SER HB2 H 3.397 0.02 1 678 84 84 SER HB3 H 3.397 0.02 1 679 84 84 SER C C 170.721 0.3 1 680 84 84 SER CA C 55.653 0.3 1 681 84 84 SER CB C 61.675 0.3 1 682 84 84 SER N N 113.775 0.3 1 683 85 85 GLU H H 7.817 0.02 1 684 85 85 GLU HA H 4.011 0.02 1 685 85 85 GLU HB2 H 1.709 0.02 2 686 85 85 GLU HB3 H 1.593 0.02 2 687 85 85 GLU HG2 H 2.064 0.02 1 688 85 85 GLU HG3 H 2.064 0.02 1 689 85 85 GLU C C 171.632 0.3 1 690 85 85 GLU CA C 52.766 0.3 1 691 85 85 GLU CB C 27.094 0.3 1 692 85 85 GLU N N 119.035 0.3 1 693 86 86 LEU H H 7.697 0.02 1 694 86 86 LEU HA H 4.040 0.02 1 695 86 86 LEU HB2 H 1.293 0.02 1 696 86 86 LEU HB3 H 1.293 0.02 1 697 86 86 LEU HD1 H 0.639 0.02 1 698 86 86 LEU HD2 H 0.639 0.02 1 699 86 86 LEU C C 172.543 0.3 1 700 86 86 LEU CA C 51.916 0.3 1 701 86 86 LEU CB C 40.357 0.3 1 702 86 86 LEU N N 118.546 0.3 1 703 87 87 LEU H H 7.612 0.02 1 704 87 87 LEU HA H 4.021 0.02 1 705 87 87 LEU HB2 H 1.280 0.02 1 706 87 87 LEU HB3 H 1.280 0.02 1 707 87 87 LEU HD1 H 0.630 0.02 1 708 87 87 LEU HD2 H 0.630 0.02 1 709 87 87 LEU C C 172.283 0.3 1 710 87 87 LEU CA C 51.595 0.3 1 711 87 87 LEU CB C 40.357 0.3 1 712 87 87 LEU N N 118.493 0.3 1 713 88 88 ALA H H 7.556 0.02 1 714 88 88 ALA HA H 3.995 0.02 1 715 88 88 ALA HB H 1.002 0.02 1 716 88 88 ALA C C 172.559 0.3 1 717 88 88 ALA CA C 48.737 0.3 1 718 88 88 ALA CB C 17.900 0.3 1 719 88 88 ALA N N 119.536 0.3 1 720 89 89 ASN H H 7.791 0.02 1 721 89 89 ASN HA H 4.323 0.02 1 722 89 89 ASN HB2 H 2.364 0.02 1 723 89 89 ASN HB3 H 2.364 0.02 1 724 89 89 ASN C C 172.630 0.3 1 725 89 89 ASN CA C 50.121 0.3 1 726 89 89 ASN CB C 37.021 0.3 1 727 89 89 ASN N N 115.597 0.3 1 728 90 90 LEU H H 7.692 0.02 1 729 90 90 LEU HA H 3.880 0.02 1 730 90 90 LEU HB2 H 1.306 0.02 2 731 90 90 LEU HB3 H 1.132 0.02 2 732 90 90 LEU HD1 H 0.612 0.02 1 733 90 90 LEU HD2 H 0.612 0.02 1 734 90 90 LEU C C 172.348 0.3 1 735 90 90 LEU CA C 52.317 0.3 1 736 90 90 LEU CB C 40.275 0.3 1 737 90 90 LEU N N 118.811 0.3 1 738 91 91 TYR H H 7.645 0.02 1 739 91 91 TYR HA H 4.194 0.02 1 740 91 91 TYR HB2 H 2.783 0.02 2 741 91 91 TYR HB3 H 2.539 0.02 2 742 91 91 TYR C C 171.720 0.3 1 743 91 91 TYR CA C 54.596 0.3 1 744 91 91 TYR CB C 36.288 0.3 1 745 91 91 TYR N N 115.316 0.3 1 746 92 92 SER H H 7.618 0.02 1 747 92 92 SER HA H 4.097 0.02 1 748 92 92 SER HB2 H 3.502 0.02 1 749 92 92 SER HB3 H 3.502 0.02 1 750 92 92 SER C C 170.461 0.3 1 751 92 92 SER CA C 55.513 0.3 1 752 92 92 SER CB C 61.593 0.3 1 753 92 92 SER N N 112.823 0.3 1 754 93 93 CYS H H 7.786 0.02 1 755 93 93 CYS HA H 4.385 0.02 1 756 93 93 CYS HB2 H 2.604 0.02 1 757 93 93 CYS HB3 H 2.604 0.02 1 758 93 93 CYS C C 170.399 0.3 1 759 93 93 CYS CA C 55.459 0.3 1 760 93 93 CYS CB C 25.955 0.3 1 761 93 93 CYS N N 117.045 0.3 1 762 94 94 GLY H H 8.000 0.02 1 763 94 94 GLY HA2 H 3.596 0.02 1 764 94 94 GLY HA3 H 3.596 0.02 1 765 94 94 GLY C C 169.224 0.3 1 766 94 94 GLY CA C 42.391 0.3 1 767 94 94 GLY N N 106.882 0.3 1 768 95 95 ASP H H 8.009 0.02 1 769 95 95 ASP HA H 4.381 0.02 1 770 95 95 ASP HB2 H 2.504 0.02 2 771 95 95 ASP HB3 H 2.371 0.02 2 772 95 95 ASP C C 170.982 0.3 1 773 95 95 ASP CA C 49.714 0.3 1 774 95 95 ASP CB C 36.207 0.3 1 775 95 95 ASP N N 116.973 0.3 1 776 96 96 GLN H H 7.737 0.02 1 777 96 96 GLN HA H 4.037 0.02 1 778 96 96 GLN HB2 H 1.749 0.02 2 779 96 96 GLN HB3 H 1.494 0.02 2 780 96 96 GLN HG2 H 2.051 0.02 1 781 96 96 GLN HG3 H 2.051 0.02 1 782 96 96 GLN C C 171.697 0.3 1 783 96 96 GLN CA C 52.918 0.3 1 784 96 96 GLN CB C 27.419 0.3 1 785 96 96 GLN N N 117.416 0.3 1 786 97 97 ASN H H 7.905 0.02 1 787 97 97 ASN HA H 4.401 0.02 1 788 97 97 ASN HB2 H 2.364 0.02 1 789 97 97 ASN HB3 H 2.364 0.02 1 790 97 97 ASN C C 172.152 0.3 1 791 97 97 ASN CA C 50.158 0.3 1 792 97 97 ASN CB C 36.858 0.3 1 793 97 97 ASN N N 117.493 0.3 1 794 98 98 THR H H 7.696 0.02 1 795 98 98 THR HA H 3.831 0.02 1 796 98 98 THR HB H 3.383 0.02 1 797 98 98 THR HG2 H 0.875 0.02 1 798 98 98 THR C C 171.285 0.3 1 799 98 98 THR CA C 59.966 0.3 1 800 98 98 THR CB C 66.231 0.3 1 801 98 98 THR N N 113.085 0.3 1 802 99 99 LEU H H 7.708 0.02 1 803 99 99 LEU HA H 4.010 0.02 1 804 99 99 LEU HB2 H 1.400 0.02 1 805 99 99 LEU HB3 H 1.400 0.02 1 806 99 99 LEU C C 173.565 0.3 1 807 99 99 LEU CA C 52.925 0.3 1 808 99 99 LEU CB C 39.787 0.3 1 809 99 99 LEU N N 120.165 0.3 1 810 100 100 MET H H 7.709 0.02 1 811 100 100 MET HA H 3.926 0.02 1 812 100 100 MET HB2 H 1.657 0.02 1 813 100 100 MET HB3 H 1.657 0.02 1 814 100 100 MET HG2 H 2.255 0.02 1 815 100 100 MET HG3 H 2.255 0.02 1 816 100 100 MET C C 171.510 0.3 1 817 100 100 MET CA C 52.236 0.3 1 818 100 100 MET CB C 30.982 0.3 1 819 100 100 MET N N 116.944 0.3 1 820 101 101 GLU H H 7.824 0.02 1 821 101 101 GLU HA H 4.076 0.02 1 822 101 101 GLU HB2 H 1.584 0.02 1 823 101 101 GLU HB3 H 1.584 0.02 1 824 101 101 GLU HG2 H 2.064 0.02 1 825 101 101 GLU HG3 H 2.064 0.02 1 826 101 101 GLU C C 172.250 0.3 1 827 101 101 GLU CA C 52.399 0.3 1 828 101 101 GLU CB C 26.931 0.3 1 829 101 101 GLU N N 117.658 0.3 1 830 102 102 GLU H H 7.764 0.02 1 831 102 102 GLU HA H 4.034 0.02 1 832 102 102 GLU HB2 H 1.729 0.02 1 833 102 102 GLU HB3 H 1.729 0.02 1 834 102 102 GLU HG2 H 2.064 0.02 1 835 102 102 GLU HG3 H 2.064 0.02 1 836 102 102 GLU C C 172.551 0.3 1 837 102 102 GLU CA C 53.294 0.3 1 838 102 102 GLU CB C 26.931 0.3 1 839 102 102 GLU N N 117.416 0.3 1 840 103 103 SER H H 7.873 0.02 1 841 103 103 SER HA H 4.079 0.02 1 842 103 103 SER HB2 H 3.462 0.02 2 843 103 103 SER HB3 H 3.592 0.02 2 844 103 103 SER C C 171.664 0.3 1 845 103 103 SER CA C 55.898 0.3 1 846 103 103 SER CB C 61.674 0.3 1 847 103 103 SER N N 114.185 0.3 1 848 104 104 ALA H H 8.039 0.02 1 849 104 104 ALA HA H 4.092 0.02 1 850 104 104 ALA HB H 1.021 0.02 1 851 104 104 ALA C C 174.471 0.3 1 852 104 104 ALA CA C 50.273 0.3 1 853 104 104 ALA CB C 16.923 0.3 1 854 104 104 ALA N N 122.943 0.3 1 855 105 105 GLU H H 7.881 0.02 1 856 105 105 GLU HA H 3.937 0.02 1 857 105 105 GLU HB2 H 1.729 0.02 1 858 105 105 GLU HB3 H 1.729 0.02 1 859 105 105 GLU HG2 H 2.122 0.02 1 860 105 105 GLU HG3 H 2.122 0.02 1 861 105 105 GLU C C 173.358 0.3 1 862 105 105 GLU CA C 54.164 0.3 1 863 105 105 GLU CB C 26.768 0.3 1 864 105 105 GLU N N 116.035 0.3 1 865 106 106 GLN H H 7.898 0.02 1 866 106 106 GLN HA H 3.927 0.02 1 867 106 106 GLN HB2 H 1.514 0.02 1 868 106 106 GLN HB3 H 1.514 0.02 1 869 106 106 GLN C C 173.248 0.3 1 870 106 106 GLN CA C 54.138 0.3 1 871 106 106 GLN CB C 26.768 0.3 1 872 106 106 GLN N N 118.109 0.3 1 873 107 107 ALA H H 7.846 0.02 1 874 107 107 ALA HA H 3.876 0.02 1 875 107 107 ALA HB H 1.071 0.02 1 876 107 107 ALA C C 174.287 0.3 1 877 107 107 ALA CA C 50.121 0.3 1 878 107 107 ALA CB C 17.005 0.3 1 879 107 107 ALA N N 121.088 0.3 1 880 108 108 GLN H H 7.835 0.02 1 881 108 108 GLN HA H 4.120 0.02 1 882 108 108 GLN HB2 H 1.726 0.02 1 883 108 108 GLN HB3 H 1.726 0.02 1 884 108 108 GLN HG2 H 2.091 0.02 1 885 108 108 GLN HG3 H 2.091 0.02 1 886 108 108 GLN C C 172.120 0.3 1 887 108 108 GLN CA C 54.482 0.3 1 888 108 108 GLN CB C 26.802 0.3 1 889 108 108 GLN N N 116.527 0.3 1 890 117 117 TYR H H 7.757 0.02 1 891 117 117 TYR HA H 4.091 0.02 1 892 117 117 TYR HB2 H 2.703 0.02 2 893 117 117 TYR HB3 H 2.585 0.02 2 894 117 117 TYR C C 172.275 0.3 1 895 117 117 TYR CA C 55.724 0.3 1 896 117 117 TYR CB C 36.207 0.3 1 897 117 117 TYR N N 117.223 0.3 1 898 118 118 HIS H H 8.069 0.02 1 899 118 118 HIS HA H 4.320 0.02 1 900 118 118 HIS HB2 H 2.926 0.02 1 901 118 118 HIS HB3 H 2.926 0.02 1 902 118 118 HIS C C 170.591 0.3 1 903 118 118 HIS CA C 52.757 0.3 1 904 118 118 HIS CB C 26.606 0.3 1 905 118 118 HIS N N 115.990 0.3 1 906 119 119 ALA H H 7.952 0.02 1 907 119 119 ALA HA H 3.988 0.02 1 908 119 119 ALA HB H 1.108 0.02 1 909 119 119 ALA C C 173.411 0.3 1 910 119 119 ALA CA C 49.307 0.3 1 911 119 119 ALA CB C 17.411 0.3 1 912 119 119 ALA N N 121.042 0.3 1 913 120 120 LEU H H 7.873 0.02 1 914 120 120 LEU HA H 4.037 0.02 1 915 120 120 LEU HB2 H 1.319 0.02 1 916 120 120 LEU HB3 H 1.319 0.02 1 917 120 120 LEU C C 172.633 0.3 1 918 120 120 LEU CA C 52.317 0.3 1 919 120 120 LEU CB C 40.275 0.3 1 920 120 120 LEU N N 118.160 0.3 1 921 122 122 GLU H H 7.730 0.02 1 922 122 122 GLU HA H 4.348 0.02 1 923 122 122 GLU HB2 H 1.681 0.02 1 924 122 122 GLU HB3 H 1.681 0.02 1 925 122 122 GLU C C 171.274 0.3 1 926 122 122 GLU CA C 52.472 0.3 1 927 122 122 GLU CB C 27.013 0.3 1 928 122 122 GLU N N 117.654 0.3 1 929 123 123 ALA H H 7.723 0.02 1 930 123 123 ALA HA H 4.052 0.02 1 931 123 123 ALA HB H 1.028 0.02 1 932 123 123 ALA C C 172.693 0.3 1 933 123 123 ALA CA C 48.806 0.3 1 934 123 123 ALA CB C 17.655 0.3 1 935 123 123 ALA N N 120.766 0.3 1 936 124 124 LEU H H 7.715 0.02 1 937 124 124 LEU HA H 4.034 0.02 1 938 124 124 LEU HB2 H 1.305 0.02 1 939 124 124 LEU HB3 H 1.305 0.02 1 940 124 124 LEU HD1 H 0.642 0.02 1 941 124 124 LEU HD2 H 0.642 0.02 1 942 124 124 LEU C C 172.616 0.3 1 943 124 124 LEU CA C 51.621 0.3 1 944 124 124 LEU CB C 40.712 0.3 1 945 124 124 LEU N N 117.187 0.3 1 946 125 125 SER H H 7.649 0.02 1 947 125 125 SER HA H 4.107 0.02 1 948 125 125 SER HB2 H 3.406 0.02 1 949 125 125 SER HB3 H 3.406 0.02 1 950 125 125 SER C C 170.383 0.3 1 951 125 125 SER CA C 55.328 0.3 1 952 125 125 SER CB C 61.756 0.3 1 953 125 125 SER N N 113.102 0.3 1 954 126 126 ILE H H 7.491 0.02 1 955 126 126 ILE HA H 3.946 0.02 1 956 126 126 ILE HB H 1.580 0.02 1 957 126 126 ILE HG2 H 0.609 0.02 1 958 126 126 ILE C C 171.378 0.3 1 959 126 126 ILE CA C 57.688 0.3 1 960 126 126 ILE CB C 36.288 0.3 1 961 126 126 ILE N N 117.033 0.3 1 962 127 127 ILE H H 7.522 0.02 1 963 127 127 ILE HA H 3.976 0.02 1 964 127 127 ILE HB H 1.554 0.02 1 965 127 127 ILE HG2 H 0.626 0.02 1 966 127 127 ILE C C 171.567 0.3 1 967 127 127 ILE CA C 57.611 0.3 1 968 127 127 ILE CB C 36.288 0.3 1 969 127 127 ILE N N 117.819 0.3 1 970 128 128 GLY H H 7.805 0.02 1 971 128 128 GLY HA2 H 3.506 0.02 1 972 128 128 GLY HA3 H 3.506 0.02 1 973 128 128 GLY C C 168.954 0.3 1 974 128 128 GLY CA C 42.128 0.3 1 975 128 128 GLY N N 107.864 0.3 1 976 129 129 ASN H H 7.830 0.02 1 977 129 129 ASN HA H 4.392 0.02 1 978 129 129 ASN HB2 H 2.338 0.02 1 979 129 129 ASN HB3 H 2.338 0.02 1 980 129 129 ASN C C 171.287 0.3 1 981 129 129 ASN CA C 49.795 0.3 1 982 129 129 ASN CB C 37.183 0.3 1 983 129 129 ASN N N 117.197 0.3 1 984 130 130 ILE H H 7.559 0.02 1 985 130 130 ILE HA H 3.941 0.02 1 986 130 130 ILE HB H 1.568 0.02 1 987 130 130 ILE HG2 H 0.615 0.02 1 988 130 130 ILE C C 170.982 0.3 1 989 130 130 ILE CA C 57.222 0.3 1 990 130 130 ILE CB C 36.542 0.3 1 991 130 130 ILE N N 115.415 0.3 1 992 131 131 ASN H H 7.989 0.02 1 993 131 131 ASN HA H 4.442 0.02 1 994 131 131 ASN HB2 H 2.351 0.02 1 995 131 131 ASN HB3 H 2.351 0.02 1 996 131 131 ASN C C 171.307 0.3 1 997 131 131 ASN CA C 49.958 0.3 1 998 131 131 ASN CB C 37.183 0.3 1 999 131 131 ASN N N 119.693 0.3 1 1000 132 132 THR H H 7.460 0.02 1 1001 132 132 THR HA H 4.059 0.02 1 1002 132 132 THR HG2 H 0.809 0.02 1 1003 132 132 THR C C 170.253 0.3 1 1004 132 132 THR CA C 58.257 0.3 1 1005 132 132 THR CB C 66.475 0.3 1 1006 132 132 THR N N 110.623 0.3 1 1007 133 133 THR H H 7.545 0.02 1 1008 133 133 THR HA H 4.121 0.02 1 1009 133 133 THR HB H 3.839 0.02 1 1010 133 133 THR HG2 H 0.855 0.02 1 1011 133 133 THR C C 170.344 0.3 1 1012 133 133 THR CA C 58.514 0.3 1 1013 133 133 THR CB C 66.650 0.3 1 1014 133 133 THR N N 112.267 0.3 1 1015 134 134 THR H H 7.577 0.02 1 1016 134 134 THR HA H 4.089 0.02 1 1017 134 134 THR HB H 3.848 0.02 1 1018 134 134 THR HG2 H 0.846 0.02 1 1019 134 134 THR C C 170.344 0.3 1 1020 134 134 THR CA C 58.488 0.3 1 1021 134 134 THR CB C 66.650 0.3 1 1022 134 134 THR N N 112.529 0.3 1 1023 135 135 VAL H H 7.480 0.02 1 1024 135 135 VAL HA H 4.036 0.02 1 1025 135 135 VAL HB H 1.850 0.02 1 1026 135 135 VAL HG1 H 0.626 0.02 1 1027 135 135 VAL HG2 H 0.626 0.02 1 1028 135 135 VAL C C 171.208 0.3 1 1029 135 135 VAL CA C 57.976 0.3 1 1030 135 135 VAL CB C 30.417 0.3 1 1031 135 135 VAL N N 115.475 0.3 1 1032 136 136 SER H H 7.881 0.02 1 1033 136 136 SER HA H 4.147 0.02 1 1034 136 136 SER HB2 H 3.390 0.02 1 1035 136 136 SER HB3 H 3.390 0.02 1 1036 136 136 SER C C 170.201 0.3 1 1037 136 136 SER CA C 55.315 0.3 1 1038 136 136 SER CB C 61.756 0.3 1 1039 136 136 SER N N 116.455 0.3 1 1040 137 137 THR H H 7.535 0.02 1 1041 137 137 THR HA H 4.245 0.02 1 1042 137 137 THR HB H 3.737 0.02 1 1043 137 137 THR HG2 H 0.875 0.02 1 1044 137 137 THR C C 169.430 0.3 1 1045 137 137 THR CA C 56.630 0.3 1 1046 137 137 THR CB C 66.882 0.3 1 1047 137 137 THR N N 114.919 0.3 1 stop_ save_