data_19252 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RRM domain of HUMAN RBM7 ; _BMRB_accession_number 19252 _BMRB_flat_file_name bmr19252.str _Entry_type original _Submission_date 2013-05-21 _Accession_date 2013-05-21 _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 Sikorsky Tomas . . 2 Hrossova Dominika . . 3 Vanacova Stepanka . . 4 Stefl Richard . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 506 "13C chemical shifts" 298 "15N chemical shifts" 80 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-01-26 original author . stop_ _Original_release_date 2015-01-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'RNA binding properties of the human NEXT complex' _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 Sikorsky Tomas . . 2 Stefl Richard . . 3 Hrossova Dominika . . 4 Vanacova Stepanka . . stop_ _Journal_abbreviation 'Not known' _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_assembly _Saveframe_category molecular_system _Mol_system_name 'RRM domain of HUMAN RBM7' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RRM domain of HUMAN RBM7' $RBM7 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_RBM7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RBM7 _Molecular_mass 11473.301 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; GSEFELRRQQALAEADRTLF VGNLETKVTEELLFELFHQA GPVIKVKIPKDKDGKPKQFA FVNFKHEVSVPYAMNLLNGI KLYGRPIKIQFRSGSSHAPQ D ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 GLU 4 PHE 5 GLU 6 LEU 7 ARG 8 ARG 9 GLN 10 GLN 11 ALA 12 LEU 13 ALA 14 GLU 15 ALA 16 ASP 17 ARG 18 THR 19 LEU 20 PHE 21 VAL 22 GLY 23 ASN 24 LEU 25 GLU 26 THR 27 LYS 28 VAL 29 THR 30 GLU 31 GLU 32 LEU 33 LEU 34 PHE 35 GLU 36 LEU 37 PHE 38 HIS 39 GLN 40 ALA 41 GLY 42 PRO 43 VAL 44 ILE 45 LYS 46 VAL 47 LYS 48 ILE 49 PRO 50 LYS 51 ASP 52 LYS 53 ASP 54 GLY 55 LYS 56 PRO 57 LYS 58 GLN 59 PHE 60 ALA 61 PHE 62 VAL 63 ASN 64 PHE 65 LYS 66 HIS 67 GLU 68 VAL 69 SER 70 VAL 71 PRO 72 TYR 73 ALA 74 MET 75 ASN 76 LEU 77 LEU 78 ASN 79 GLY 80 ILE 81 LYS 82 LEU 83 TYR 84 GLY 85 ARG 86 PRO 87 ILE 88 LYS 89 ILE 90 GLN 91 PHE 92 ARG 93 SER 94 GLY 95 SER 96 SER 97 HIS 98 ALA 99 PRO 100 GLN 101 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2M8H "Rrm Domain Of Human Rbm7" 100.00 101 100.00 100.00 3.03e-66 DBJ BAA92036 "unnamed protein product [Homo sapiens]" 90.10 267 98.90 98.90 2.27e-57 DBJ BAD92990 "Hypothetical protein FLJ11153 variant [Homo sapiens]" 90.10 155 98.90 98.90 6.85e-58 DBJ BAG35505 "unnamed protein product [Homo sapiens]" 90.10 266 98.90 98.90 2.65e-57 DBJ BAG73694 "RNA binding motif protein 7 [synthetic construct]" 90.10 266 98.90 98.90 2.65e-57 EMBL CAH93091 "hypothetical protein [Pongo abelii]" 90.10 264 97.80 97.80 3.17e-56 GB AAD39257 "RNA binding motif protein 7 [Homo sapiens]" 90.10 266 98.90 98.90 2.65e-57 GB AAH34381 "RNA binding motif protein 7 [Homo sapiens]" 90.10 266 98.90 98.90 2.65e-57 GB AAH70262 "RNA binding motif protein 7 [Homo sapiens]" 90.10 266 97.80 98.90 5.34e-57 GB ADQ31580 "RNA binding motif protein 7 [synthetic construct]" 90.10 266 98.90 98.90 2.65e-57 GB AIC50533 "RBM7, partial [synthetic construct]" 90.10 266 98.90 98.90 2.65e-57 REF NP_001248000 "RNA-binding protein 7 [Macaca mulatta]" 90.10 267 97.80 97.80 3.96e-56 REF NP_001272974 "RNA-binding protein 7 isoform a [Homo sapiens]" 90.10 267 98.90 98.90 2.17e-57 REF NP_057174 "RNA-binding protein 7 isoform b [Homo sapiens]" 90.10 266 98.90 98.90 2.65e-57 REF XP_002754472 "PREDICTED: RNA-binding protein 7 isoform X1 [Callithrix jacchus]" 90.10 264 97.80 97.80 2.94e-56 REF XP_002822554 "PREDICTED: RNA-binding protein 7 isoform X1 [Pongo abelii]" 90.10 267 97.80 97.80 3.67e-56 SP Q9Y580 "RecName: Full=RNA-binding protein 7; AltName: Full=RNA-binding motif protein 7" 90.10 266 98.90 98.90 2.65e-57 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 $RBM7 Human 9606 Eukaryota Metazoa Homo sapiens RBM7 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 $RBM7 'recombinant technology' . Escherichia coli . pET28-SMT3 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 $RBM7 0.3 mM '[U-99% 13C; U-99% 15N]' BISTRIS 20 mM 'natural abundance' beta-mercaptoethanol 4 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_AVANCE_700 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_Bruker_AVANCE_950 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_HBHA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_3D_1H-13C_NOESY_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 200 . mM pH 7 . pH pressure 1 . atm temperature 293.15 . 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 TMS C 13 'methyl carbons' ppm 0 external direct . . . 1 water H 1 protons ppm 4.7 internal direct . . . 1 '[15N] nitromethane' N 15 nitrogen ppm 0 external direct . . . 1 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 HBHA(CO)NH' '3D HNCA' '3D CBCA(CO)NH' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 'RRM domain of HUMAN RBM7' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 GLU HA H 4.204 0.02 1 2 3 3 GLU HB2 H 1.978 0.02 2 3 3 3 GLU HB3 H 1.931 0.02 2 4 3 3 GLU HG2 H 2.196 0.02 2 5 3 3 GLU HG3 H 2.145 0.02 2 6 3 3 GLU CA C 57.868 0.2 1 7 3 3 GLU CB C 29.724 0.2 1 8 3 3 GLU CG C 36.071 0.2 1 9 4 4 PHE H H 8.308 0.02 1 10 4 4 PHE HA H 4.424 0.02 1 11 4 4 PHE HB2 H 3.081 0.02 2 12 4 4 PHE HB3 H 3.081 0.02 2 13 4 4 PHE HD1 H 7.238 0.02 3 14 4 4 PHE HD2 H 7.238 0.02 3 15 4 4 PHE HE1 H 7.351 0.02 3 16 4 4 PHE HE2 H 7.351 0.02 3 17 4 4 PHE CA C 59.181 0.2 1 18 4 4 PHE CB C 39.244 0.2 1 19 4 4 PHE CD1 C 131.54 0.2 3 20 4 4 PHE CD2 C 131.54 0.2 3 21 4 4 PHE CE1 C 131.621 0.2 3 22 4 4 PHE CE2 C 131.621 0.2 3 23 4 4 PHE N N 119.74 0.2 1 24 5 5 GLU H H 8.106 0.02 1 25 5 5 GLU HA H 4.143 0.02 1 26 5 5 GLU HB2 H 2.048 0.02 2 27 5 5 GLU HB3 H 2.048 0.02 2 28 5 5 GLU HG2 H 2.284 0.02 2 29 5 5 GLU HG3 H 2.207 0.02 2 30 5 5 GLU CA C 57.557 0.2 1 31 5 5 GLU CB C 29.709 0.2 1 32 5 5 GLU CG C 36.267 0.2 1 33 5 5 GLU N N 121.1 0.2 1 34 6 6 LEU H H 8.143 0.02 1 35 6 6 LEU HA H 4.188 0.02 1 36 6 6 LEU HB2 H 1.573 0.02 2 37 6 6 LEU HB3 H 1.739 0.02 2 38 6 6 LEU HG H 1.692 0.02 1 39 6 6 LEU HD1 H 0.92 0.02 1 40 6 6 LEU HD2 H 0.877 0.02 1 41 6 6 LEU CA C 56.559 0.2 1 42 6 6 LEU CB C 41.866 0.2 1 43 6 6 LEU CG C 26.991 0.2 1 44 6 6 LEU CD1 C 24.962 0.2 2 45 6 6 LEU CD2 C 23.455 0.2 2 46 6 6 LEU N N 122.001 0.2 1 47 7 7 ARG H H 8.205 0.02 1 48 7 7 ARG HA H 4.195 0.02 1 49 7 7 ARG HB2 H 1.843 0.02 2 50 7 7 ARG HB3 H 1.843 0.02 2 51 7 7 ARG HG2 H 1.692 0.02 2 52 7 7 ARG HG3 H 1.61 0.02 2 53 7 7 ARG HD2 H 3.176 0.02 2 54 7 7 ARG HD3 H 3.176 0.02 2 55 7 7 ARG CA C 57.442 0.2 1 56 7 7 ARG CB C 30.154 0.2 1 57 7 7 ARG CG C 27.285 0.2 1 58 7 7 ARG CD C 43.251 0.2 1 59 7 7 ARG N N 120.759 0.2 1 60 9 9 GLN HA H 4.099 0.02 1 61 9 9 GLN HB2 H 1.843 0.02 2 62 9 9 GLN HB3 H 1.756 0.02 2 63 9 9 GLN HG2 H 1.633 0.02 2 64 9 9 GLN HG3 H 1.559 0.02 2 65 9 9 GLN CA C 57.781 0.2 1 66 9 9 GLN CB C 30.151 0.2 1 67 9 9 GLN CG C 27.052 0.2 1 68 10 10 GLN H H 8.3 0.02 1 69 10 10 GLN HA H 4.163 0.02 1 70 10 10 GLN HB2 H 2.102 0.02 2 71 10 10 GLN HB3 H 2.063 0.02 2 72 10 10 GLN HG2 H 2.417 0.02 2 73 10 10 GLN HG3 H 2.375 0.02 2 74 10 10 GLN CA C 57.276 0.2 1 75 10 10 GLN CB C 28.838 0.2 1 76 10 10 GLN CG C 33.73 0.2 1 77 10 10 GLN N N 120.456 0.2 1 78 11 11 ALA H H 8.164 0.02 1 79 11 11 ALA HA H 4.223 0.02 1 80 11 11 ALA HB H 1.424 0.02 1 81 11 11 ALA CA C 53.647 0.2 1 82 11 11 ALA CB C 18.506 0.2 1 83 11 11 ALA N N 123.706 0.2 1 84 12 12 LEU H H 8.106 0.02 1 85 12 12 LEU HA H 4.194 0.02 1 86 12 12 LEU HB2 H 1.679 0.02 2 87 12 12 LEU HB3 H 1.619 0.02 2 88 12 12 LEU HG H 1.668 0.02 1 89 12 12 LEU HD1 H 0.9 0.02 1 90 12 12 LEU HD2 H 0.855 0.02 1 91 12 12 LEU CA C 56.397 0.2 1 92 12 12 LEU CB C 41.917 0.2 1 93 12 12 LEU CG C 26.918 0.2 1 94 12 12 LEU CD1 C 24.883 0.2 2 95 12 12 LEU CD2 C 23.661 0.2 2 96 12 12 LEU N N 120.921 0.2 1 97 13 13 ALA H H 8.082 0.02 1 98 13 13 ALA HA H 4.241 0.02 1 99 13 13 ALA HB H 1.464 0.02 1 100 13 13 ALA CA C 53.807 0.2 1 101 13 13 ALA CB C 18.459 0.2 1 102 13 13 ALA N N 122.753 0.2 1 103 14 14 GLU H H 8.061 0.02 1 104 14 14 GLU HA H 4.145 0.02 1 105 14 14 GLU HB2 H 2.284 0.02 2 106 14 14 GLU HB3 H 2.03 0.02 2 107 14 14 GLU CA C 57.792 0.2 1 108 14 14 GLU CB C 33.094 0.2 1 109 14 14 GLU N N 117.322 0.2 1 110 15 15 ALA H H 8.187 0.02 1 111 15 15 ALA HA H 4.124 0.02 1 112 15 15 ALA HB H 1.447 0.02 1 113 15 15 ALA CA C 54.878 0.2 1 114 15 15 ALA CB C 18.338 0.2 1 115 15 15 ALA N N 124.763 0.2 1 116 16 16 ASP H H 8.265 0.02 1 117 16 16 ASP HA H 4.792 0.02 1 118 16 16 ASP HB2 H 2.832 0.02 2 119 16 16 ASP HB3 H 2.785 0.02 2 120 16 16 ASP CA C 55.59 0.2 1 121 16 16 ASP CB C 40.57 0.2 1 122 16 16 ASP N N 116.873 0.2 1 123 17 17 ARG HA H 4.622 0.02 1 124 17 17 ARG HB2 H 1.765 0.02 2 125 17 17 ARG HB3 H 1.765 0.02 2 126 17 17 ARG HD2 H 3.18 0.02 2 127 17 17 ARG HD3 H 3.18 0.02 2 128 17 17 ARG CA C 56.102 0.2 1 129 17 17 ARG CB C 31.11 0.2 1 130 17 17 ARG CD C 43.56 0.2 1 131 18 18 THR H H 7.746 0.02 1 132 18 18 THR HA H 5.705 0.02 1 133 18 18 THR HB H 4.072 0.02 1 134 18 18 THR HG2 H 1.22 0.02 1 135 18 18 THR CA C 61.803 0.2 1 136 18 18 THR CB C 71.287 0.2 1 137 18 18 THR CG2 C 21.771 0.2 1 138 18 18 THR N N 116.427 0.2 1 139 19 19 LEU H H 9.115 0.02 1 140 19 19 LEU HA H 5.032 0.02 1 141 19 19 LEU HB2 H 1.561 0.02 2 142 19 19 LEU HB3 H 1.561 0.02 2 143 19 19 LEU HG H 1.865 0.02 1 144 19 19 LEU HD1 H 1.065 0.02 1 145 19 19 LEU HD2 H 1.027 0.02 1 146 19 19 LEU CA C 53.216 0.2 1 147 19 19 LEU CB C 45.957 0.2 1 148 19 19 LEU CG C 26.533 0.2 1 149 19 19 LEU CD1 C 26.629 0.2 2 150 19 19 LEU CD2 C 25.453 0.2 2 151 19 19 LEU N N 123.139 0.2 1 152 20 20 PHE H H 8.698 0.02 1 153 20 20 PHE HA H 5.003 0.02 1 154 20 20 PHE HB2 H 3.006 0.02 2 155 20 20 PHE HB3 H 2.855 0.02 2 156 20 20 PHE HD1 H 6.847 0.02 3 157 20 20 PHE HD2 H 6.847 0.02 3 158 20 20 PHE HE1 H 6.683 0.02 3 159 20 20 PHE HE2 H 6.683 0.02 3 160 20 20 PHE CA C 56.576 0.2 1 161 20 20 PHE CB C 41.207 0.2 1 162 20 20 PHE CD1 C 131.409 0.2 3 163 20 20 PHE CD2 C 131.409 0.2 3 164 20 20 PHE CE1 C 130.97 0.2 3 165 20 20 PHE CE2 C 130.97 0.2 3 166 20 20 PHE N N 123.458 0.2 1 167 21 21 VAL H H 8.747 0.02 1 168 21 21 VAL HA H 4.477 0.02 1 169 21 21 VAL HB H 1.771 0.02 1 170 21 21 VAL HG1 H 0.945 0.02 1 171 21 21 VAL HG2 H 0.653 0.02 1 172 21 21 VAL CA C 60.751 0.2 1 173 21 21 VAL CB C 33.228 0.2 1 174 21 21 VAL CG1 C 22.784 0.2 2 175 21 21 VAL CG2 C 21.971 0.2 2 176 21 21 VAL N N 127.543 0.2 1 177 22 22 GLY H H 9.05 0.02 1 178 22 22 GLY HA2 H 4.74 0.02 2 179 22 22 GLY HA3 H 3.788 0.02 2 180 22 22 GLY CA C 43.109 0.2 1 181 22 22 GLY N N 112.849 0.2 1 182 23 23 ASN H H 8.775 0.02 1 183 23 23 ASN HA H 4.443 0.02 1 184 23 23 ASN HB2 H 3.93 0.02 2 185 23 23 ASN HB3 H 2.39 0.02 2 186 23 23 ASN HD21 H 8.52 0.02 2 187 23 23 ASN HD22 H 7.406 0.02 2 188 23 23 ASN CA C 53.356 0.2 1 189 23 23 ASN CB C 38.951 0.2 1 190 23 23 ASN N N 116.374 0.2 1 191 23 23 ASN ND2 N 113.232 0.2 1 192 24 24 LEU H H 7.484 0.02 1 193 24 24 LEU HA H 4.165 0.02 1 194 24 24 LEU HB2 H 1.335 0.02 2 195 24 24 LEU HB3 H 1.154 0.02 2 196 24 24 LEU HG H 1.473 0.02 1 197 24 24 LEU HD1 H 0.709 0.02 1 198 24 24 LEU HD2 H 0.571 0.02 1 199 24 24 LEU CA C 53.988 0.2 1 200 24 24 LEU CB C 42.47 0.2 1 201 24 24 LEU CG C 26.618 0.2 1 202 24 24 LEU CD1 C 23.04 0.2 2 203 24 24 LEU CD2 C 26.226 0.2 2 204 24 24 LEU N N 113.779 0.2 1 205 25 25 GLU H H 8.614 0.02 1 206 25 25 GLU HA H 4.237 0.02 1 207 25 25 GLU HB2 H 2.226 0.02 2 208 25 25 GLU HB3 H 1.954 0.02 2 209 25 25 GLU HG2 H 2.795 0.02 2 210 25 25 GLU HG3 H 2.439 0.02 2 211 25 25 GLU CA C 56.922 0.2 1 212 25 25 GLU CB C 30.184 0.2 1 213 25 25 GLU CG C 37.837 0.2 1 214 25 25 GLU N N 125.494 0.2 1 215 26 26 THR H H 8.446 0.02 1 216 26 26 THR HA H 3.929 0.02 1 217 26 26 THR HB H 4.126 0.02 1 218 26 26 THR HG2 H 1.24 0.02 1 219 26 26 THR CA C 65.338 0.2 1 220 26 26 THR CB C 68.869 0.2 1 221 26 26 THR CG2 C 21.813 0.2 1 222 26 26 THR N N 117.323 0.2 1 223 27 27 LYS H H 7.815 0.02 1 224 27 27 LYS HA H 3.969 0.02 1 225 27 27 LYS HB2 H 1.191 0.02 2 226 27 27 LYS HB3 H 0.758 0.02 2 227 27 27 LYS HG2 H 1.257 0.02 2 228 27 27 LYS HG3 H 1.175 0.02 2 229 27 27 LYS HD2 H 1.418 0.02 2 230 27 27 LYS HD3 H 1.281 0.02 2 231 27 27 LYS HE2 H 2.739 0.02 2 232 27 27 LYS HE3 H 2.577 0.02 2 233 27 27 LYS CA C 57.154 0.2 1 234 27 27 LYS CB C 31.64 0.2 1 235 27 27 LYS CG C 25.163 0.2 1 236 27 27 LYS CD C 28.69 0.2 1 237 27 27 LYS CE C 40.805 0.2 1 238 27 27 LYS N N 116.583 0.2 1 239 28 28 VAL H H 7.729 0.02 1 240 28 28 VAL HA H 3.688 0.02 1 241 28 28 VAL HB H 2.272 0.02 1 242 28 28 VAL HG1 H 1.245 0.02 2 243 28 28 VAL HG2 H 1.04 0.02 2 244 28 28 VAL CA C 65.494 0.2 1 245 28 28 VAL CB C 31.235 0.2 1 246 28 28 VAL CG1 C 24.641 0.2 2 247 28 28 VAL CG2 C 22.98 0.2 2 248 28 28 VAL N N 119.89 0.2 1 249 29 29 THR H H 6.839 0.02 1 250 29 29 THR HA H 4.71 0.02 1 251 29 29 THR HB H 4.827 0.02 1 252 29 29 THR HG2 H 1.193 0.02 1 253 29 29 THR CA C 58.801 0.2 1 254 29 29 THR CB C 72.384 0.2 1 255 29 29 THR CG2 C 21.602 0.2 1 256 29 29 THR N N 115.174 0.2 1 257 30 30 GLU H H 9.362 0.02 1 258 30 30 GLU HA H 3.649 0.02 1 259 30 30 GLU HB2 H 2.049 0.02 2 260 30 30 GLU HB3 H 1.917 0.02 2 261 30 30 GLU HG2 H 2.447 0.02 2 262 30 30 GLU HG3 H 2.153 0.02 2 263 30 30 GLU CA C 60.107 0.2 1 264 30 30 GLU CB C 29.268 0.2 1 265 30 30 GLU CG C 37.616 0.2 1 266 30 30 GLU N N 120.999 0.2 1 267 31 31 GLU H H 8.855 0.02 1 268 31 31 GLU HA H 4.057 0.02 1 269 31 31 GLU HB2 H 2.118 0.02 2 270 31 31 GLU HB3 H 1.897 0.02 2 271 31 31 GLU HG2 H 2.463 0.02 2 272 31 31 GLU HG3 H 2.271 0.02 2 273 31 31 GLU CA C 60.557 0.2 1 274 31 31 GLU CB C 28.222 0.2 1 275 31 31 GLU CG C 37.209 0.2 1 276 31 31 GLU N N 117.782 0.2 1 277 32 32 LEU H H 7.873 0.02 1 278 32 32 LEU HA H 4.294 0.02 1 279 32 32 LEU HB2 H 1.938 0.02 2 280 32 32 LEU HB3 H 1.888 0.02 2 281 32 32 LEU HG H 1.712 0.02 1 282 32 32 LEU HD1 H 1.186 0.02 1 283 32 32 LEU HD2 H 1.096 0.02 1 284 32 32 LEU CA C 58.18 0.2 1 285 32 32 LEU CB C 42.307 0.2 1 286 32 32 LEU CG C 27.465 0.2 1 287 32 32 LEU CD1 C 27.126 0.2 2 288 32 32 LEU CD2 C 24.209 0.2 2 289 32 32 LEU N N 122.456 0.2 1 290 33 33 LEU H H 7.705 0.02 1 291 33 33 LEU HA H 4.143 0.02 1 292 33 33 LEU HB2 H 2.15 0.02 2 293 33 33 LEU HB3 H 1.215 0.02 2 294 33 33 LEU HG H 1.811 0.02 1 295 33 33 LEU HD1 H 0.802 0.02 1 296 33 33 LEU HD2 H 0.585 0.02 1 297 33 33 LEU CA C 57.557 0.2 1 298 33 33 LEU CB C 42.668 0.2 1 299 33 33 LEU CG C 26.405 0.2 1 300 33 33 LEU CD1 C 22.766 0.2 2 301 33 33 LEU CD2 C 26.663 0.2 2 302 33 33 LEU N N 116.678 0.2 1 303 34 34 PHE H H 9.047 0.02 1 304 34 34 PHE HA H 3.787 0.02 1 305 34 34 PHE HB2 H 3.4 0.02 2 306 34 34 PHE HB3 H 3.117 0.02 2 307 34 34 PHE HD1 H 7.086 0.02 3 308 34 34 PHE HD2 H 7.086 0.02 3 309 34 34 PHE CA C 62.606 0.2 1 310 34 34 PHE CB C 39.466 0.2 1 311 34 34 PHE CD1 C 131.709 0.2 3 312 34 34 PHE CD2 C 131.709 0.2 3 313 34 34 PHE N N 121.458 0.2 1 314 35 35 GLU H H 7.937 0.02 1 315 35 35 GLU HA H 4.081 0.02 1 316 35 35 GLU HB2 H 2.252 0.02 2 317 35 35 GLU HB3 H 2.252 0.02 2 318 35 35 GLU HG2 H 2.461 0.02 2 319 35 35 GLU HG3 H 2.378 0.02 2 320 35 35 GLU CA C 59.195 0.2 1 321 35 35 GLU CB C 29.744 0.2 1 322 35 35 GLU CG C 36.225 0.2 1 323 35 35 GLU N N 117.448 0.2 1 324 36 36 LEU H H 8.247 0.02 1 325 36 36 LEU HA H 4.144 0.02 1 326 36 36 LEU HB2 H 1.734 0.02 2 327 36 36 LEU HB3 H 1.712 0.02 2 328 36 36 LEU HG H 1.28 0.02 1 329 36 36 LEU HD1 H 0.808 0.02 1 330 36 36 LEU HD2 H 0.705 0.02 1 331 36 36 LEU CA C 57.88 0.2 1 332 36 36 LEU CB C 43.212 0.2 1 333 36 36 LEU CG C 26.489 0.2 1 334 36 36 LEU CD1 C 24.137 0.2 2 335 36 36 LEU CD2 C 25.611 0.2 2 336 36 36 LEU N N 119.947 0.2 1 337 37 37 PHE H H 8.854 0.02 1 338 37 37 PHE HA H 4.032 0.02 1 339 37 37 PHE HB2 H 2.954 0.02 2 340 37 37 PHE HB3 H 2.881 0.02 2 341 37 37 PHE HD1 H 7.601 0.02 3 342 37 37 PHE HD2 H 7.601 0.02 3 343 37 37 PHE HE1 H 7.085 0.02 3 344 37 37 PHE HE2 H 7.085 0.02 3 345 37 37 PHE CA C 62.338 0.2 1 346 37 37 PHE CB C 37.658 0.2 1 347 37 37 PHE CD1 C 131.738 0.2 3 348 37 37 PHE CD2 C 131.738 0.2 3 349 37 37 PHE CE1 C 130.387 0.2 3 350 37 37 PHE CE2 C 130.387 0.2 3 351 37 37 PHE N N 114.426 0.2 1 352 38 38 HIS HB2 H 3.22 0.02 2 353 38 38 HIS HB3 H 3.037 0.02 2 354 38 38 HIS HE1 H 7.925 0.02 1 355 38 38 HIS CB C 28.38 0.2 1 356 38 38 HIS CE1 C 138.077 0.2 1 357 39 39 GLN H H 7.461 0.02 1 358 39 39 GLN HA H 4.087 0.02 1 359 39 39 GLN HB2 H 2.146 0.02 2 360 39 39 GLN HB3 H 2.146 0.02 2 361 39 39 GLN HG2 H 2.609 0.02 2 362 39 39 GLN HG3 H 2.399 0.02 2 363 39 39 GLN CA C 58.184 0.2 1 364 39 39 GLN CB C 29.694 0.2 1 365 39 39 GLN CG C 34.624 0.2 1 366 39 39 GLN N N 116.348 0.2 1 367 40 40 ALA H H 8.045 0.02 1 368 40 40 ALA HA H 4.451 0.02 1 369 40 40 ALA HB H 1.542 0.02 1 370 40 40 ALA CA C 51.865 0.2 1 371 40 40 ALA CB C 20.137 0.2 1 372 40 40 ALA N N 118.672 0.2 1 373 41 41 GLY H H 7.644 0.02 1 374 41 41 GLY HA2 H 4.277 0.02 2 375 41 41 GLY HA3 H 3.977 0.02 2 376 41 41 GLY CA C 44.335 0.2 1 377 41 41 GLY N N 108.455 0.2 1 378 43 43 VAL HA H 3.826 0.02 1 379 43 43 VAL HB H 1.281 0.02 1 380 43 43 VAL HG1 H 0.349 0.02 1 381 43 43 VAL HG2 H 0.51 0.02 1 382 43 43 VAL CA C 61.767 0.2 1 383 43 43 VAL CB C 34.452 0.2 1 384 43 43 VAL CG1 C 23.159 0.2 2 385 43 43 VAL CG2 C 21.931 0.2 2 386 44 44 ILE H H 8.882 0.02 1 387 44 44 ILE HA H 4.165 0.02 1 388 44 44 ILE HB H 1.74 0.02 1 389 44 44 ILE HG12 H 1.304 0.02 2 390 44 44 ILE HG13 H 1.028 0.02 2 391 44 44 ILE HG2 H 0.872 0.02 1 392 44 44 ILE HD1 H 0.745 0.02 1 393 44 44 ILE CA C 61.615 0.2 1 394 44 44 ILE CB C 37.807 0.2 1 395 44 44 ILE CG1 C 26.838 0.2 1 396 44 44 ILE CG2 C 17.062 0.2 1 397 44 44 ILE CD1 C 11.553 0.2 1 398 44 44 ILE N N 124.415 0.2 1 399 45 45 LYS H H 7.466 0.02 1 400 45 45 LYS HA H 4.675 0.02 1 401 45 45 LYS HB2 H 1.892 0.02 2 402 45 45 LYS HB3 H 1.81 0.02 2 403 45 45 LYS HG2 H 1.325 0.02 2 404 45 45 LYS HG3 H 1.295 0.02 2 405 45 45 LYS HD2 H 1.682 0.02 2 406 45 45 LYS HD3 H 1.636 0.02 2 407 45 45 LYS HE2 H 2.912 0.02 2 408 45 45 LYS HE3 H 2.912 0.02 2 409 45 45 LYS CA C 55.73 0.2 1 410 45 45 LYS CB C 35.879 0.2 1 411 45 45 LYS CG C 24.343 0.2 1 412 45 45 LYS CD C 29.146 0.2 1 413 45 45 LYS CE C 41.841 0.2 1 414 45 45 LYS N N 116.56 0.2 1 415 46 46 VAL H H 8.662 0.02 1 416 46 46 VAL HA H 4.728 0.02 1 417 46 46 VAL HB H 1.917 0.02 1 418 46 46 VAL HG1 H 0.874 0.02 2 419 46 46 VAL HG2 H 0.822 0.02 2 420 46 46 VAL CA C 61.005 0.2 1 421 46 46 VAL CB C 34.728 0.2 1 422 46 46 VAL CG1 C 22.402 0.2 2 423 46 46 VAL CG2 C 21.775 0.2 2 424 46 46 VAL N N 122.821 0.2 1 425 47 47 LYS H H 8.641 0.02 1 426 47 47 LYS HA H 4.893 0.02 1 427 47 47 LYS HB2 H 1.623 0.02 2 428 47 47 LYS HB3 H 1.816 0.02 2 429 47 47 LYS HG2 H 1.342 0.02 2 430 47 47 LYS HG3 H 1.233 0.02 2 431 47 47 LYS HD2 H 1.773 0.02 2 432 47 47 LYS HD3 H 1.742 0.02 2 433 47 47 LYS HE2 H 2.958 0.02 2 434 47 47 LYS HE3 H 2.958 0.02 2 435 47 47 LYS CA C 53.717 0.2 1 436 47 47 LYS CB C 36.707 0.2 1 437 47 47 LYS CG C 24.675 0.2 1 438 47 47 LYS CD C 28.798 0.2 1 439 47 47 LYS CE C 42.037 0.2 1 440 47 47 LYS N N 125.397 0.2 1 441 48 48 ILE H H 9.727 0.02 1 442 48 48 ILE HA H 4.812 0.02 1 443 48 48 ILE HB H 1.715 0.02 1 444 48 48 ILE HG12 H 1.361 0.02 2 445 48 48 ILE HG13 H 0.781 0.02 2 446 48 48 ILE HG2 H 0.929 0.02 1 447 48 48 ILE HD1 H 0.667 0.02 1 448 48 48 ILE CA C 58.595 0.2 1 449 48 48 ILE CB C 39.278 0.2 1 450 48 48 ILE CG1 C 28.459 0.2 1 451 48 48 ILE CG2 C 16.78 0.2 1 452 48 48 ILE CD1 C 13.402 0.2 1 453 48 48 ILE N N 129.131 0.2 1 454 49 49 PRO HA H 4.376 0.02 1 455 49 49 PRO HB2 H 2.439 0.02 2 456 49 49 PRO HB3 H 1.673 0.02 2 457 49 49 PRO HG2 H 1.923 0.02 2 458 49 49 PRO HG3 H 1.853 0.02 2 459 49 49 PRO HD2 H 3.814 0.02 2 460 49 49 PRO HD3 H 3.535 0.02 2 461 49 49 PRO CA C 62.653 0.2 1 462 49 49 PRO CB C 33.096 0.2 1 463 49 49 PRO CG C 28.078 0.2 1 464 49 49 PRO CD C 51.316 0.2 1 465 50 50 LYS H H 8.29 0.02 1 466 50 50 LYS HA H 4.92 0.02 1 467 50 50 LYS HB2 H 1.68 0.02 2 468 50 50 LYS HB3 H 1.517 0.02 2 469 50 50 LYS HG2 H 1.459 0.02 2 470 50 50 LYS HG3 H 1.139 0.02 2 471 50 50 LYS HD2 H 1.592 0.02 2 472 50 50 LYS HD3 H 1.523 0.02 2 473 50 50 LYS HE2 H 3.001 0.02 2 474 50 50 LYS HE3 H 3.001 0.02 2 475 50 50 LYS CA C 53.878 0.2 1 476 50 50 LYS CB C 36.073 0.2 1 477 50 50 LYS CG C 25.443 0.2 1 478 50 50 LYS CD C 28.81 0.2 1 479 50 50 LYS CE C 42.284 0.2 1 480 50 50 LYS N N 117.247 0.2 1 481 51 51 ASP H H 8.867 0.02 1 482 51 51 ASP HA H 4.642 0.02 1 483 51 51 ASP HB2 H 3.344 0.02 2 484 51 51 ASP HB3 H 2.634 0.02 2 485 51 51 ASP CA C 52.265 0.2 1 486 51 51 ASP CB C 41.7 0.2 1 487 51 51 ASP N N 121.09 0.2 1 488 52 52 LYS H H 8.571 0.02 1 489 52 52 LYS HA H 4.137 0.02 1 490 52 52 LYS HB2 H 1.88 0.02 2 491 52 52 LYS HB3 H 1.936 0.02 2 492 52 52 LYS HG2 H 1.46 0.02 2 493 52 52 LYS HG3 H 1.423 0.02 2 494 52 52 LYS HD2 H 1.714 0.02 2 495 52 52 LYS HD3 H 1.68 0.02 2 496 52 52 LYS HE2 H 3.038 0.02 2 497 52 52 LYS HE3 H 3.038 0.02 2 498 52 52 LYS CA C 58.561 0.2 1 499 52 52 LYS CB C 31.724 0.2 1 500 52 52 LYS CG C 24.098 0.2 1 501 52 52 LYS CD C 29.044 0.2 1 502 52 52 LYS CE C 41.953 0.2 1 503 52 52 LYS N N 118.114 0.2 1 504 53 53 ASP H H 8.201 0.02 1 505 53 53 ASP HA H 4.822 0.02 1 506 53 53 ASP HB2 H 2.88 0.02 2 507 53 53 ASP HB3 H 2.715 0.02 2 508 53 53 ASP CA C 54.07 0.2 1 509 53 53 ASP CB C 41.632 0.2 1 510 53 53 ASP N N 118.925 0.2 1 511 54 54 GLY H H 8.292 0.02 1 512 54 54 GLY HA2 H 4.25 0.02 2 513 54 54 GLY HA3 H 3.603 0.02 2 514 54 54 GLY CA C 45.294 0.2 1 515 54 54 GLY N N 108.767 0.2 1 516 55 55 LYS H H 8.379 0.02 1 517 55 55 LYS HA H 4.664 0.02 1 518 55 55 LYS HB2 H 1.97 0.02 2 519 55 55 LYS HB3 H 1.841 0.02 2 520 55 55 LYS HG2 H 1.977 0.02 2 521 55 55 LYS HG3 H 1.707 0.02 2 522 55 55 LYS HD2 H 1.446 0.02 2 523 55 55 LYS HD3 H 1.387 0.02 2 524 55 55 LYS HE2 H 3.002 0.02 2 525 55 55 LYS HE3 H 3.002 0.02 2 526 55 55 LYS CA C 53.737 0.2 1 527 55 55 LYS CB C 31.779 0.2 1 528 55 55 LYS CG C 28.874 0.2 1 529 55 55 LYS CD C 24.796 0.2 1 530 55 55 LYS CE C 41.933 0.2 1 531 55 55 LYS N N 123.673 0.2 1 532 56 56 PRO HA H 4.523 0.02 1 533 56 56 PRO HB2 H 2.25 0.02 2 534 56 56 PRO HB3 H 1.954 0.02 2 535 56 56 PRO HG2 H 2.142 0.02 2 536 56 56 PRO HG3 H 1.982 0.02 2 537 56 56 PRO HD2 H 4.001 0.02 2 538 56 56 PRO HD3 H 3.667 0.02 2 539 56 56 PRO CA C 63.238 0.2 1 540 56 56 PRO CB C 32.665 0.2 1 541 56 56 PRO CG C 27.892 0.2 1 542 56 56 PRO CD C 50.756 0.2 1 543 57 57 LYS H H 8.285 0.02 1 544 57 57 LYS HA H 4.263 0.02 1 545 57 57 LYS HB2 H 1.452 0.02 2 546 57 57 LYS HB3 H 1.023 0.02 2 547 57 57 LYS HG2 H 1.251 0.02 2 548 57 57 LYS HG3 H 1.191 0.02 2 549 57 57 LYS HD2 H 1.501 0.02 2 550 57 57 LYS HD3 H 1.501 0.02 2 551 57 57 LYS HE2 H 2.881 0.02 2 552 57 57 LYS HE3 H 2.881 0.02 2 553 57 57 LYS CA C 55.289 0.2 1 554 57 57 LYS CB C 32.036 0.2 1 555 57 57 LYS CG C 25.96 0.2 1 556 57 57 LYS CD C 29.022 0.2 1 557 57 57 LYS CE C 42 0.2 1 558 57 57 LYS N N 121.544 0.2 1 559 58 58 GLN H H 8.023 0.02 1 560 58 58 GLN HA H 4.346 0.02 1 561 58 58 GLN HB2 H 2.638 0.02 2 562 58 58 GLN HB3 H 2.115 0.02 2 563 58 58 GLN HG2 H 2.363 0.02 2 564 58 58 GLN HG3 H 2.235 0.02 2 565 58 58 GLN HE21 H 7.681 0.02 2 566 58 58 GLN HE22 H 6.875 0.02 2 567 58 58 GLN CA C 56.03 0.2 1 568 58 58 GLN CB C 27.422 0.2 1 569 58 58 GLN CG C 35.228 0.2 1 570 58 58 GLN N N 115.383 0.2 1 571 58 58 GLN NE2 N 112.437 0.2 1 572 59 59 PHE H H 7.02 0.02 1 573 59 59 PHE HA H 5.138 0.02 1 574 59 59 PHE HB2 H 2.883 0.02 2 575 59 59 PHE HB3 H 2.297 0.02 2 576 59 59 PHE HD1 H 6.703 0.02 3 577 59 59 PHE HD2 H 6.703 0.02 3 578 59 59 PHE HE1 H 7.276 0.02 3 579 59 59 PHE HE2 H 7.276 0.02 3 580 59 59 PHE CA C 54.994 0.2 1 581 59 59 PHE CB C 42.199 0.2 1 582 59 59 PHE CD1 C 132.786 0.2 3 583 59 59 PHE CD2 C 132.786 0.2 3 584 59 59 PHE CE1 C 130.844 0.2 3 585 59 59 PHE CE2 C 130.844 0.2 3 586 59 59 PHE N N 114.807 0.2 1 587 60 60 ALA H H 8.651 0.02 1 588 60 60 ALA HA H 5.037 0.02 1 589 60 60 ALA HB H 0.908 0.02 1 590 60 60 ALA CA C 49.032 0.2 1 591 60 60 ALA CB C 25.505 0.2 1 592 60 60 ALA N N 116.568 0.2 1 593 61 61 PHE H H 8.693 0.02 1 594 61 61 PHE HA H 5.556 0.02 1 595 61 61 PHE HB2 H 2.918 0.02 2 596 61 61 PHE HB3 H 2.79 0.02 2 597 61 61 PHE HD1 H 7.176 0.02 3 598 61 61 PHE HD2 H 7.176 0.02 3 599 61 61 PHE CA C 55.844 0.2 1 600 61 61 PHE CB C 41.864 0.2 1 601 61 61 PHE CD1 C 132.085 0.2 3 602 61 61 PHE CD2 C 132.085 0.2 3 603 61 61 PHE N N 115.303 0.2 1 604 62 62 VAL H H 8.919 0.02 1 605 62 62 VAL HA H 4.214 0.02 1 606 62 62 VAL HB H 1.365 0.02 1 607 62 62 VAL HG1 H 0.056 0.02 1 608 62 62 VAL HG2 H -0.073 0.02 1 609 62 62 VAL CA C 61.261 0.2 1 610 62 62 VAL CB C 34.004 0.2 1 611 62 62 VAL CG1 C 19.929 0.2 2 612 62 62 VAL CG2 C 20.491 0.2 2 613 62 62 VAL N N 123.431 0.2 1 614 63 63 ASN H H 8.739 0.02 1 615 63 63 ASN HA H 5.405 0.02 1 616 63 63 ASN HB2 H 2.735 0.02 2 617 63 63 ASN HB3 H 2.619 0.02 2 618 63 63 ASN HD21 H 7.093 0.02 2 619 63 63 ASN HD22 H 6.805 0.02 2 620 63 63 ASN CA C 51.879 0.2 1 621 63 63 ASN CB C 41.433 0.2 1 622 63 63 ASN N N 124.921 0.2 1 623 63 63 ASN ND2 N 110.233 0.2 1 624 64 64 PHE H H 9.366 0.02 1 625 64 64 PHE N N 124.871 0.2 1 626 71 71 PRO HA H 4.337 0.02 1 627 71 71 PRO CA C 65.335 0.2 1 628 72 72 TYR H H 6.552 0.02 1 629 72 72 TYR HA H 4.417 0.02 1 630 72 72 TYR HB2 H 3.224 0.02 2 631 72 72 TYR HB3 H 2.899 0.02 2 632 72 72 TYR HD1 H 7.193 0.02 3 633 72 72 TYR HD2 H 7.193 0.02 3 634 72 72 TYR HE1 H 6.84 0.02 3 635 72 72 TYR HE2 H 6.84 0.02 3 636 72 72 TYR CA C 60.059 0.2 1 637 72 72 TYR CB C 38.417 0.2 1 638 72 72 TYR CD1 C 132.685 0.2 3 639 72 72 TYR CD2 C 132.685 0.2 3 640 72 72 TYR CE1 C 118.006 0.2 3 641 72 72 TYR CE2 C 118.006 0.2 3 642 72 72 TYR N N 117.1 0.2 1 643 73 73 ALA H H 8.655 0.02 1 644 73 73 ALA HA H 3.689 0.02 1 645 73 73 ALA HB H 1.585 0.02 1 646 73 73 ALA CA C 55.419 0.2 1 647 73 73 ALA CB C 19.298 0.2 1 648 73 73 ALA N N 120.67 0.2 1 649 74 74 MET H H 7.871 0.02 1 650 74 74 MET HA H 3.976 0.02 1 651 74 74 MET HB2 H 2.418 0.02 2 652 74 74 MET HB3 H 2.266 0.02 2 653 74 74 MET CA C 59.048 0.2 1 654 74 74 MET CB C 31.881 0.2 1 655 74 74 MET N N 114.988 0.2 1 656 75 75 ASN H H 7.672 0.02 1 657 75 75 ASN HA H 4.461 0.02 1 658 75 75 ASN HB2 H 2.861 0.02 2 659 75 75 ASN HB3 H 2.783 0.02 2 660 75 75 ASN HD21 H 7.637 0.02 2 661 75 75 ASN HD22 H 7.012 0.02 2 662 75 75 ASN CA C 55.695 0.2 1 663 75 75 ASN CB C 38.867 0.2 1 664 75 75 ASN N N 115.658 0.2 1 665 75 75 ASN ND2 N 113.196 0.2 1 666 76 76 LEU H H 8.314 0.02 1 667 76 76 LEU HA H 4.093 0.02 1 668 76 76 LEU HB2 H 1.329 0.02 2 669 76 76 LEU HB3 H 1.17 0.02 2 670 76 76 LEU HG H 1.28 0.02 1 671 76 76 LEU HD1 H 0.702 0.02 1 672 76 76 LEU HD2 H 0.609 0.02 1 673 76 76 LEU CA C 57.186 0.2 1 674 76 76 LEU CB C 44.334 0.2 1 675 76 76 LEU CG C 26.489 0.2 1 676 76 76 LEU CD1 C 23.035 0.2 2 677 76 76 LEU CD2 C 24.451 0.2 2 678 76 76 LEU N N 119.07 0.2 1 679 77 77 LEU HA H 4.46 0.02 1 680 77 77 LEU HB2 H 1.587 0.02 2 681 77 77 LEU HB3 H 1.184 0.02 2 682 77 77 LEU HG H 1.226 0.02 1 683 77 77 LEU HD1 H 0.559 0.02 1 684 77 77 LEU HD2 H 0.152 0.02 1 685 77 77 LEU CA C 54.368 0.2 1 686 77 77 LEU CB C 43.182 0.2 1 687 77 77 LEU CG C 26.892 0.2 1 688 77 77 LEU CD1 C 22.855 0.2 2 689 77 77 LEU CD2 C 25.667 0.2 2 690 78 78 ASN H H 7.365 0.02 1 691 78 78 ASN HA H 4.344 0.02 1 692 78 78 ASN HB2 H 3.287 0.02 2 693 78 78 ASN HB3 H 2.92 0.02 2 694 78 78 ASN HD21 H 7.77 0.02 2 695 78 78 ASN HD22 H 7.02 0.02 2 696 78 78 ASN CA C 55.572 0.2 1 697 78 78 ASN CB C 37.867 0.2 1 698 78 78 ASN N N 117.194 0.2 1 699 78 78 ASN ND2 N 112.751 0.2 1 700 79 79 GLY H H 7.984 0.02 1 701 79 79 GLY HA2 H 4.188 0.02 2 702 79 79 GLY HA3 H 3.803 0.02 2 703 79 79 GLY CA C 45.708 0.2 1 704 79 79 GLY N N 113.761 0.2 1 705 80 80 ILE H H 7.608 0.02 1 706 80 80 ILE HA H 4.014 0.02 1 707 80 80 ILE HB H 1.877 0.02 1 708 80 80 ILE HG12 H 1.49 0.02 2 709 80 80 ILE HG13 H 1.338 0.02 2 710 80 80 ILE HG2 H 0.86 0.02 1 711 80 80 ILE HD1 H 0.825 0.02 1 712 80 80 ILE CA C 61.916 0.2 1 713 80 80 ILE CB C 37.786 0.2 1 714 80 80 ILE CG1 C 28.422 0.2 1 715 80 80 ILE CG2 C 17.494 0.2 1 716 80 80 ILE CD1 C 13.826 0.2 1 717 80 80 ILE N N 120.929 0.2 1 718 81 81 LYS H H 8.403 0.02 1 719 81 81 LYS HA H 4.373 0.02 1 720 81 81 LYS HB2 H 1.755 0.02 2 721 81 81 LYS HB3 H 1.13 0.02 2 722 81 81 LYS HG2 H 1.535 0.02 2 723 81 81 LYS HG3 H 0.796 0.02 2 724 81 81 LYS HD2 H 1.618 0.02 2 725 81 81 LYS HD3 H 1.575 0.02 2 726 81 81 LYS HE2 H 2.956 0.02 2 727 81 81 LYS HE3 H 2.915 0.02 2 728 81 81 LYS CA C 56.191 0.2 1 729 81 81 LYS CB C 33.566 0.2 1 730 81 81 LYS CG C 26.421 0.2 1 731 81 81 LYS CD C 29.444 0.2 1 732 81 81 LYS CE C 41.782 0.2 1 733 81 81 LYS N N 123.78 0.2 1 734 82 82 LEU H H 8.005 0.02 1 735 82 82 LEU N N 123.379 0.2 1 736 83 83 TYR HA H 4.017 0.02 1 737 83 83 TYR HB2 H 3.217 0.02 2 738 83 83 TYR HB3 H 2.866 0.02 2 739 83 83 TYR HD1 H 6.931 0.02 3 740 83 83 TYR HD2 H 6.931 0.02 3 741 83 83 TYR HE1 H 6.679 0.02 3 742 83 83 TYR HE2 H 6.679 0.02 3 743 83 83 TYR CA C 59.067 0.2 1 744 83 83 TYR CB C 35.388 0.2 1 745 83 83 TYR CD1 C 132.888 0.2 3 746 83 83 TYR CD2 C 132.888 0.2 3 747 83 83 TYR CE1 C 117.939 0.2 3 748 83 83 TYR CE2 C 117.939 0.2 3 749 84 84 GLY H H 8.529 0.02 1 750 84 84 GLY HA2 H 4.255 0.02 2 751 84 84 GLY HA3 H 3.571 0.02 2 752 84 84 GLY CA C 45.257 0.2 1 753 84 84 GLY N N 101.91 0.2 1 754 85 85 ARG H H 7.702 0.02 1 755 85 85 ARG HA H 5.097 0.02 1 756 85 85 ARG HB2 H 2.082 0.02 2 757 85 85 ARG HB3 H 1.859 0.02 2 758 85 85 ARG HG2 H 1.692 0.02 2 759 85 85 ARG HG3 H 1.692 0.02 2 760 85 85 ARG HD2 H 3.051 0.02 2 761 85 85 ARG HD3 H 3 0.02 2 762 85 85 ARG CA C 52.822 0.2 1 763 85 85 ARG CB C 33.098 0.2 1 764 85 85 ARG CG C 27.279 0.2 1 765 85 85 ARG CD C 43.633 0.2 1 766 85 85 ARG N N 122.603 0.2 1 767 86 86 PRO HA H 4.574 0.02 1 768 86 86 PRO HB2 H 2.046 0.02 2 769 86 86 PRO HB3 H 1.887 0.02 2 770 86 86 PRO HG2 H 2.241 0.02 2 771 86 86 PRO HG3 H 2.075 0.02 2 772 86 86 PRO HD2 H 3.89 0.02 2 773 86 86 PRO HD3 H 3.782 0.02 2 774 86 86 PRO CA C 61.715 0.2 1 775 86 86 PRO CB C 31.935 0.2 1 776 86 86 PRO CG C 27.454 0.2 1 777 86 86 PRO CD C 51.382 0.2 1 778 87 87 ILE H H 8.704 0.02 1 779 87 87 ILE HA H 4.604 0.02 1 780 87 87 ILE HB H 1.951 0.02 1 781 87 87 ILE HG12 H 1.517 0.02 2 782 87 87 ILE HG13 H 1.824 0.02 2 783 87 87 ILE HG2 H 1.071 0.02 1 784 87 87 ILE HD1 H 0.879 0.02 1 785 87 87 ILE CA C 62.152 0.2 1 786 87 87 ILE CB C 38.662 0.2 1 787 87 87 ILE CG1 C 25.368 0.2 1 788 87 87 ILE CG2 C 18.322 0.2 1 789 87 87 ILE CD1 C 14.03 0.2 1 790 87 87 ILE N N 121.38 0.2 1 791 88 88 LYS H H 7.937 0.02 1 792 88 88 LYS HA H 4.953 0.02 1 793 88 88 LYS HB2 H 1.763 0.02 2 794 88 88 LYS HB3 H 1.636 0.02 2 795 88 88 LYS HG2 H 1.456 0.02 2 796 88 88 LYS HG3 H 1.325 0.02 2 797 88 88 LYS HD2 H 1.723 0.02 2 798 88 88 LYS HD3 H 1.723 0.02 2 799 88 88 LYS HE2 H 2.957 0.02 2 800 88 88 LYS HE3 H 2.957 0.02 2 801 88 88 LYS CA C 54.448 0.2 1 802 88 88 LYS CB C 34.341 0.2 1 803 88 88 LYS CG C 25.037 0.2 1 804 88 88 LYS CD C 29.24 0.2 1 805 88 88 LYS CE C 41.92 0.2 1 806 88 88 LYS N N 123.494 0.2 1 807 89 89 ILE H H 8.854 0.02 1 808 89 89 ILE HA H 5.085 0.02 1 809 89 89 ILE HB H 1.692 0.02 1 810 89 89 ILE HG12 H 1.938 0.02 1 811 89 89 ILE HG13 H 1.938 0.02 1 812 89 89 ILE HG2 H 1.014 0.02 1 813 89 89 ILE HD1 H 0.969 0.02 1 814 89 89 ILE CA C 60.925 0.2 1 815 89 89 ILE CB C 39.108 0.2 1 816 89 89 ILE CG1 C 29.06 0.2 1 817 89 89 ILE CG2 C 20.703 0.2 1 818 89 89 ILE CD1 C 14.959 0.2 1 819 89 89 ILE N N 127.611 0.2 1 820 90 90 GLN H H 9.485 0.02 1 821 90 90 GLN HA H 4.747 0.02 1 822 90 90 GLN HB2 H 1.869 0.02 2 823 90 90 GLN HB3 H 1.869 0.02 2 824 90 90 GLN HG2 H 2.369 0.02 2 825 90 90 GLN HG3 H 2.225 0.02 2 826 90 90 GLN HE21 H 7.45 0.02 2 827 90 90 GLN HE22 H 6.768 0.02 2 828 90 90 GLN CA C 54.322 0.2 1 829 90 90 GLN CB C 33.776 0.2 1 830 90 90 GLN CG C 34.197 0.2 1 831 90 90 GLN N N 124.381 0.2 1 832 90 90 GLN NE2 N 111.673 0.2 1 833 91 91 PHE H H 8.68 0.02 1 834 91 91 PHE HA H 4.645 0.02 1 835 91 91 PHE HB2 H 3.142 0.02 2 836 91 91 PHE HB3 H 3.054 0.02 2 837 91 91 PHE CA C 57.696 0.2 1 838 91 91 PHE CB C 39.457 0.2 1 839 91 91 PHE N N 121.091 0.2 1 840 94 94 GLY HA2 H 4.001 0.02 2 841 94 94 GLY HA3 H 3.861 0.02 2 842 94 94 GLY CA C 45.24 0.2 1 843 95 95 SER H H 8.048 0.02 1 844 95 95 SER HA H 4.018 0.02 1 845 95 95 SER HB2 H 4.023 0.02 2 846 95 95 SER HB3 H 4.023 0.02 2 847 95 95 SER CA C 57.341 0.2 1 848 95 95 SER CB C 64.102 0.2 1 849 95 95 SER N N 114.823 0.2 1 850 98 98 ALA HA H 4.525 0.02 1 851 98 98 ALA HB H 1.317 0.02 1 852 98 98 ALA CA C 50.298 0.2 1 853 98 98 ALA CB C 18.359 0.2 1 854 99 99 PRO HA H 4.407 0.02 1 855 99 99 PRO HB2 H 2.274 0.02 2 856 99 99 PRO HB3 H 1.944 0.02 2 857 99 99 PRO HG2 H 2.035 0.02 2 858 99 99 PRO HG3 H 1.978 0.02 2 859 99 99 PRO HD2 H 3.7 0.02 2 860 99 99 PRO HD3 H 3.603 0.02 2 861 99 99 PRO CA C 63.189 0.2 1 862 99 99 PRO CB C 32.066 0.2 1 863 99 99 PRO CG C 27.448 0.2 1 864 99 99 PRO CD C 50.41 0.2 1 865 100 100 GLN H H 8.551 0.02 1 866 100 100 GLN HA H 4.342 0.02 1 867 100 100 GLN HB2 H 2.144 0.02 2 868 100 100 GLN HB3 H 1.944 0.02 2 869 100 100 GLN HG2 H 2.369 0.02 2 870 100 100 GLN HG3 H 2.369 0.02 2 871 100 100 GLN HE21 H 7.637 0.02 2 872 100 100 GLN HE22 H 6.868 0.02 2 873 100 100 GLN CA C 55.418 0.2 1 874 100 100 GLN CB C 29.837 0.2 1 875 100 100 GLN CG C 33.762 0.2 1 876 100 100 GLN N N 121.06 0.2 1 877 100 100 GLN NE2 N 113.198 0.2 1 878 101 101 ASP H H 8.023 0.02 1 879 101 101 ASP HA H 4.376 0.02 1 880 101 101 ASP HB2 H 2.659 0.02 2 881 101 101 ASP HB3 H 2.561 0.02 2 882 101 101 ASP CA C 55.799 0.2 1 883 101 101 ASP CB C 42.243 0.2 1 884 101 101 ASP N N 127.408 0.2 1 stop_ save_