data_11112 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the fourth fibronectin type III domain of human Neogenin ; _BMRB_accession_number 11112 _BMRB_flat_file_name bmr11112.str _Entry_type original _Submission_date 2010-02-18 _Accession_date 2010-02-22 _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 650 "13C chemical shifts" 511 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-02-18 original author . stop_ _Original_release_date 2011-02-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The solution structure of the fourth fibronectin type III domain of human Neogenin ; _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 5 Yokoyama S. . . stop_ _Journal_abbreviation . _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 Neogenin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'fn3 domain' $entity_1 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'fn3 domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GSSGSSGPATDWLSAETFES DLDETRVPEVPSSLHVRPLV TSIVVSWTPPENQNIVVRGY AIGYGIGSPHAQTIKVDYKQ RYYTIENLDPSSHYVITLKA FNNVGEGIPLYESAVTRPHT SGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 ALA 10 THR 11 ASP 12 TRP 13 LEU 14 SER 15 ALA 16 GLU 17 THR 18 PHE 19 GLU 20 SER 21 ASP 22 LEU 23 ASP 24 GLU 25 THR 26 ARG 27 VAL 28 PRO 29 GLU 30 VAL 31 PRO 32 SER 33 SER 34 LEU 35 HIS 36 VAL 37 ARG 38 PRO 39 LEU 40 VAL 41 THR 42 SER 43 ILE 44 VAL 45 VAL 46 SER 47 TRP 48 THR 49 PRO 50 PRO 51 GLU 52 ASN 53 GLN 54 ASN 55 ILE 56 VAL 57 VAL 58 ARG 59 GLY 60 TYR 61 ALA 62 ILE 63 GLY 64 TYR 65 GLY 66 ILE 67 GLY 68 SER 69 PRO 70 HIS 71 ALA 72 GLN 73 THR 74 ILE 75 LYS 76 VAL 77 ASP 78 TYR 79 LYS 80 GLN 81 ARG 82 TYR 83 TYR 84 THR 85 ILE 86 GLU 87 ASN 88 LEU 89 ASP 90 PRO 91 SER 92 SER 93 HIS 94 TYR 95 VAL 96 ILE 97 THR 98 LEU 99 LYS 100 ALA 101 PHE 102 ASN 103 ASN 104 VAL 105 GLY 106 GLU 107 GLY 108 ILE 109 PRO 110 LEU 111 TYR 112 GLU 113 SER 114 ALA 115 VAL 116 THR 117 ARG 118 PRO 119 HIS 120 THR 121 SER 122 GLY 123 PRO 124 SER 125 SER 126 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1X5I "The Solution Structure Of The Fourth Fibronectin Type Iii Domain Of Human Neogenin" 100.00 126 100.00 100.00 4.22e-84 PDB 4PLN "Crystal Structure Of Chicken Netrin-1 (ln-le3) Complexed With Mouse Neogenin (fn4-5)" 77.78 205 100.00 100.00 1.14e-62 DBJ BAD92649 "neogenin homolog 1 variant [Homo sapiens]" 91.27 1130 99.13 100.00 6.19e-70 DBJ BAI46643 "neogenin homolog 1 [synthetic construct]" 91.27 1454 99.13 100.00 2.42e-69 EMBL CAA70727 "neogenin protein [Mus musculus]" 91.27 1493 99.13 100.00 1.85e-69 GB AAB17263 "neogenin [Homo sapiens]" 91.27 1461 99.13 100.00 2.55e-69 GB AAB41100 "neogenin, partial [Rattus norvegicus]" 91.27 1377 98.26 100.00 3.31e-69 GB AAC51287 "neogenin [Homo sapiens]" 91.27 1461 99.13 100.00 2.68e-69 GB AAH54540 "Neogenin [Mus musculus]" 91.27 1465 99.13 100.00 2.03e-69 GB AAI17162 "Neogenin homolog 1 (chicken) [Homo sapiens]" 91.27 1461 99.13 100.00 2.68e-69 REF NP_001036217 "neogenin isoform 2 precursor [Mus musculus]" 91.27 1465 99.13 100.00 2.03e-69 REF NP_001166094 "neogenin isoform 2 precursor [Homo sapiens]" 91.27 1408 99.13 100.00 2.00e-69 REF NP_001166095 "neogenin isoform 3 precursor [Homo sapiens]" 91.27 1450 99.13 100.00 3.09e-69 REF NP_001248429 "neogenin precursor [Macaca mulatta]" 91.27 1450 99.13 100.00 2.22e-69 REF NP_002490 "neogenin isoform 1 precursor [Homo sapiens]" 91.27 1461 99.13 100.00 2.68e-69 SP P97603 "RecName: Full=Neogenin; Flags: Precursor" 91.27 1377 98.26 100.00 3.31e-69 SP P97798 "RecName: Full=Neogenin; Flags: Precursor" 91.27 1493 99.13 100.00 1.85e-69 SP Q92859 "RecName: Full=Neogenin; AltName: Full=Immunoglobulin superfamily DCC subclass member 2; Flags: Precursor" 91.27 1461 99.13 100.00 2.68e-69 TPG DAA25834 "TPA: neogenin-like [Bos taurus]" 91.27 1460 99.13 100.00 1.92e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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 $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . P041213-05 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.5mM FN3 domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.5 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM [U-2H] NaCl 100 mM 'natural abundance' d-DTT 1 mM [U-2H] NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_KUJIRA _Saveframe_category software _Name Kujira _Version 0.9295 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-SEPARATED_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-SEPARATED NOESY' _Sample_label $sample_1 save_ save_3D_13C-SEPARATED_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-SEPARATED NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $KUJIRA $CYANA stop_ loop_ _Experiment_label '3D 15N-SEPARATED NOESY' '3D 13C-SEPARATED NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'fn3 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 8 8 PRO HA H 4.405 0.030 1 2 8 8 PRO HB2 H 2.257 0.030 2 3 8 8 PRO HB3 H 1.929 0.030 2 4 8 8 PRO HD2 H 3.639 0.030 2 5 8 8 PRO HG2 H 2.008 0.030 2 6 8 8 PRO C C 176.955 0.300 1 7 8 8 PRO CA C 63.148 0.300 1 8 8 8 PRO CB C 32.232 0.300 1 9 8 8 PRO CD C 49.758 0.300 1 10 8 8 PRO CG C 27.212 0.300 1 11 9 9 ALA H H 8.437 0.030 1 12 9 9 ALA HA H 4.302 0.030 1 13 9 9 ALA HB H 1.392 0.030 1 14 9 9 ALA C C 178.179 0.300 1 15 9 9 ALA CA C 52.624 0.300 1 16 9 9 ALA CB C 19.073 0.300 1 17 9 9 ALA N N 124.155 0.300 1 18 10 10 THR H H 8.062 0.030 1 19 10 10 THR HA H 4.216 0.030 1 20 10 10 THR HB H 4.084 0.030 1 21 10 10 THR HG2 H 1.061 0.030 1 22 10 10 THR C C 174.489 0.300 1 23 10 10 THR CA C 61.837 0.300 1 24 10 10 THR CB C 69.712 0.300 1 25 10 10 THR CG2 C 21.458 0.300 1 26 10 10 THR N N 112.535 0.300 1 27 11 11 ASP H H 8.261 0.030 1 28 11 11 ASP HA H 4.599 0.030 1 29 11 11 ASP HB2 H 2.647 0.030 2 30 11 11 ASP C C 176.187 0.300 1 31 11 11 ASP CA C 54.429 0.300 1 32 11 11 ASP CB C 40.920 0.300 1 33 11 11 ASP N N 122.444 0.300 1 34 12 12 TRP H H 8.005 0.030 1 35 12 12 TRP HA H 4.611 0.030 1 36 12 12 TRP HB2 H 3.298 0.030 1 37 12 12 TRP HB3 H 3.298 0.030 1 38 12 12 TRP HD1 H 7.271 0.030 1 39 12 12 TRP HE1 H 10.133 0.030 1 40 12 12 TRP HE3 H 7.616 0.030 1 41 12 12 TRP HH2 H 7.231 0.030 1 42 12 12 TRP HZ2 H 7.475 0.030 1 43 12 12 TRP HZ3 H 7.152 0.030 1 44 12 12 TRP C C 176.369 0.300 1 45 12 12 TRP CA C 57.519 0.300 1 46 12 12 TRP CB C 29.255 0.300 1 47 12 12 TRP CD1 C 127.274 0.300 1 48 12 12 TRP CE3 C 120.940 0.300 1 49 12 12 TRP CH2 C 124.632 0.300 1 50 12 12 TRP CZ2 C 114.582 0.300 1 51 12 12 TRP CZ3 C 122.115 0.300 1 52 12 12 TRP N N 121.186 0.300 1 53 12 12 TRP NE1 N 129.457 0.300 1 54 13 13 LEU H H 7.846 0.030 1 55 13 13 LEU HA H 4.209 0.030 1 56 13 13 LEU HB2 H 1.476 0.030 1 57 13 13 LEU HB3 H 1.476 0.030 1 58 13 13 LEU HD1 H 0.832 0.030 1 59 13 13 LEU HD2 H 0.740 0.030 1 60 13 13 LEU HG H 1.308 0.030 1 61 13 13 LEU C C 177.420 0.300 1 62 13 13 LEU CA C 55.544 0.300 1 63 13 13 LEU CB C 42.295 0.300 1 64 13 13 LEU CD1 C 24.940 0.300 2 65 13 13 LEU CD2 C 23.582 0.300 2 66 13 13 LEU CG C 26.790 0.300 1 67 13 13 LEU N N 123.128 0.300 1 68 14 14 SER H H 8.042 0.030 1 69 14 14 SER HA H 4.356 0.030 1 70 14 14 SER HB2 H 3.871 0.030 2 71 14 14 SER C C 174.357 0.300 1 72 14 14 SER CA C 58.448 0.300 1 73 14 14 SER CB C 63.867 0.300 1 74 14 14 SER N N 115.844 0.300 1 75 15 15 ALA H H 8.200 0.030 1 76 15 15 ALA HA H 4.332 0.030 1 77 15 15 ALA HB H 1.419 0.030 1 78 15 15 ALA C C 177.735 0.300 1 79 15 15 ALA CA C 52.670 0.300 1 80 15 15 ALA CB C 19.424 0.300 1 81 15 15 ALA N N 125.660 0.300 1 82 16 16 GLU H H 8.220 0.030 1 83 16 16 GLU HA H 4.279 0.030 1 84 16 16 GLU HB2 H 1.947 0.030 1 85 16 16 GLU HB3 H 1.947 0.030 1 86 16 16 GLU HG2 H 2.216 0.030 1 87 16 16 GLU HG3 H 2.216 0.030 1 88 16 16 GLU C C 176.531 0.300 1 89 16 16 GLU CA C 56.767 0.300 1 90 16 16 GLU CB C 30.340 0.300 1 91 16 16 GLU CG C 36.365 0.300 1 92 16 16 GLU N N 119.636 0.300 1 93 17 17 THR H H 8.118 0.030 1 94 17 17 THR HA H 4.347 0.030 1 95 17 17 THR HB H 4.132 0.030 1 96 17 17 THR HG2 H 1.146 0.030 1 97 17 17 THR C C 173.994 0.300 1 98 17 17 THR CA C 61.599 0.300 1 99 17 17 THR CB C 70.045 0.300 1 100 17 17 THR CG2 C 21.390 0.300 1 101 17 17 THR N N 115.453 0.300 1 102 18 18 PHE H H 8.339 0.030 1 103 18 18 PHE HA H 4.655 0.030 1 104 18 18 PHE HB2 H 3.129 0.030 2 105 18 18 PHE HB3 H 2.959 0.030 2 106 18 18 PHE HD1 H 7.184 0.030 1 107 18 18 PHE HD2 H 7.184 0.030 1 108 18 18 PHE HE1 H 7.152 0.030 1 109 18 18 PHE HE2 H 7.152 0.030 1 110 18 18 PHE HZ H 7.019 0.030 1 111 18 18 PHE C C 175.530 0.300 1 112 18 18 PHE CA C 57.627 0.300 1 113 18 18 PHE CB C 40.089 0.300 1 114 18 18 PHE CD1 C 131.859 0.300 1 115 18 18 PHE CD2 C 131.859 0.300 1 116 18 18 PHE CE1 C 131.240 0.300 1 117 18 18 PHE CE2 C 131.240 0.300 1 118 18 18 PHE CZ C 129.786 0.300 1 119 18 18 PHE N N 122.923 0.300 1 120 19 19 GLU H H 8.505 0.030 1 121 19 19 GLU HA H 4.256 0.030 1 122 19 19 GLU HB2 H 1.919 0.030 2 123 19 19 GLU HB3 H 2.069 0.030 2 124 19 19 GLU HG2 H 2.237 0.030 2 125 19 19 GLU C C 176.653 0.300 1 126 19 19 GLU CA C 56.820 0.300 1 127 19 19 GLU CB C 30.285 0.300 1 128 19 19 GLU CG C 36.360 0.300 1 129 19 19 GLU N N 122.497 0.300 1 130 20 20 SER H H 8.311 0.030 1 131 20 20 SER HA H 4.403 0.030 1 132 20 20 SER HB2 H 3.790 0.030 2 133 20 20 SER C C 174.105 0.300 1 134 20 20 SER CA C 59.050 0.300 1 135 20 20 SER CB C 64.004 0.300 1 136 20 20 SER N N 116.179 0.300 1 137 21 21 ASP H H 8.395 0.030 1 138 21 21 ASP HA H 4.655 0.030 1 139 21 21 ASP HB2 H 2.717 0.030 2 140 21 21 ASP HB3 H 2.627 0.030 2 141 21 21 ASP C C 175.995 0.300 1 142 21 21 ASP CA C 54.370 0.300 1 143 21 21 ASP CB C 40.954 0.300 1 144 21 21 ASP N N 121.124 0.300 1 145 22 22 LEU H H 7.764 0.030 1 146 22 22 LEU HA H 4.436 0.030 1 147 22 22 LEU HB2 H 1.584 0.030 2 148 22 22 LEU HB3 H 1.271 0.030 2 149 22 22 LEU HD1 H 0.848 0.030 1 150 22 22 LEU HD2 H 0.831 0.030 1 151 22 22 LEU HG H 1.598 0.030 1 152 22 22 LEU C C 176.126 0.300 1 153 22 22 LEU CA C 54.678 0.300 1 154 22 22 LEU CB C 43.153 0.300 1 155 22 22 LEU CD1 C 25.668 0.300 2 156 22 22 LEU CD2 C 23.134 0.300 2 157 22 22 LEU CG C 27.093 0.300 1 158 22 22 LEU N N 120.816 0.300 1 159 23 23 ASP H H 8.494 0.030 1 160 23 23 ASP HA H 4.584 0.030 1 161 23 23 ASP HB2 H 2.559 0.030 2 162 23 23 ASP HB3 H 2.849 0.030 2 163 23 23 ASP C C 175.490 0.300 1 164 23 23 ASP CA C 54.241 0.300 1 165 23 23 ASP CB C 42.631 0.300 1 166 23 23 ASP N N 121.183 0.300 1 167 24 24 GLU H H 9.084 0.030 1 168 24 24 GLU HA H 4.565 0.030 1 169 24 24 GLU HB2 H 1.422 0.030 2 170 24 24 GLU HB3 H 2.211 0.030 2 171 24 24 GLU HG2 H 2.756 0.030 2 172 24 24 GLU HG3 H 2.114 0.030 2 173 24 24 GLU C C 175.398 0.300 1 174 24 24 GLU CA C 54.653 0.300 1 175 24 24 GLU CB C 31.473 0.300 1 176 24 24 GLU CG C 39.673 0.300 1 177 24 24 GLU N N 130.568 0.300 1 178 25 25 THR H H 8.737 0.030 1 179 25 25 THR HA H 4.435 0.030 1 180 25 25 THR HB H 4.374 0.030 1 181 25 25 THR HG2 H 1.246 0.030 1 182 25 25 THR C C 174.206 0.300 1 183 25 25 THR CA C 61.911 0.300 1 184 25 25 THR CB C 70.221 0.300 1 185 25 25 THR CG2 C 21.576 0.300 1 186 25 25 THR N N 108.881 0.300 1 187 26 26 ARG H H 7.347 0.030 1 188 26 26 ARG HA H 4.724 0.030 1 189 26 26 ARG HB2 H 1.918 0.030 2 190 26 26 ARG HB3 H 1.690 0.030 2 191 26 26 ARG HD2 H 3.069 0.030 1 192 26 26 ARG HD3 H 3.069 0.030 1 193 26 26 ARG HE H 7.234 0.030 1 194 26 26 ARG HG2 H 1.541 0.030 2 195 26 26 ARG HG3 H 1.419 0.030 2 196 26 26 ARG C C 173.973 0.300 1 197 26 26 ARG CA C 53.138 0.300 1 198 26 26 ARG CB C 33.246 0.300 1 199 26 26 ARG CD C 43.589 0.300 1 200 26 26 ARG CG C 24.840 0.300 1 201 26 26 ARG N N 118.819 0.300 1 202 26 26 ARG NE N 85.485 0.300 1 203 27 27 VAL H H 7.935 0.030 1 204 27 27 VAL HA H 4.342 0.030 1 205 27 27 VAL HB H 1.852 0.030 1 206 27 27 VAL HG1 H 0.761 0.030 1 207 27 27 VAL HG2 H 0.884 0.030 1 208 27 27 VAL C C 172.363 0.300 1 209 27 27 VAL CA C 60.177 0.300 1 210 27 27 VAL CB C 29.683 0.300 1 211 27 27 VAL CG1 C 21.414 0.300 2 212 27 27 VAL CG2 C 17.585 0.300 2 213 27 27 VAL N N 112.328 0.300 1 214 28 28 PRO HA H 4.373 0.030 1 215 28 28 PRO HB2 H 1.791 0.030 2 216 28 28 PRO HB3 H 2.126 0.030 2 217 28 28 PRO HD2 H 3.730 0.030 2 218 28 28 PRO HD3 H 3.218 0.030 2 219 28 28 PRO HG2 H 1.389 0.030 2 220 28 28 PRO HG3 H 1.924 0.030 2 221 28 28 PRO C C 175.662 0.300 1 222 28 28 PRO CA C 61.881 0.300 1 223 28 28 PRO CB C 32.784 0.300 1 224 28 28 PRO CD C 49.998 0.300 1 225 28 28 PRO CG C 27.552 0.300 1 226 29 29 GLU H H 7.898 0.030 1 227 29 29 GLU HA H 4.301 0.030 1 228 29 29 GLU HB2 H 2.441 0.030 2 229 29 29 GLU HB3 H 1.998 0.030 2 230 29 29 GLU HG2 H 2.342 0.030 2 231 29 29 GLU HG3 H 2.445 0.030 2 232 29 29 GLU C C 174.843 0.300 1 233 29 29 GLU CA C 55.559 0.300 1 234 29 29 GLU CB C 31.490 0.300 1 235 29 29 GLU CG C 37.675 0.300 1 236 29 29 GLU N N 116.508 0.300 1 237 30 30 VAL H H 7.718 0.030 1 238 30 30 VAL HA H 4.637 0.030 1 239 30 30 VAL HB H 2.085 0.030 1 240 30 30 VAL HG1 H 1.018 0.030 1 241 30 30 VAL HG2 H 1.132 0.030 1 242 30 30 VAL C C 173.739 0.300 1 243 30 30 VAL CA C 59.454 0.300 1 244 30 30 VAL CB C 33.567 0.300 1 245 30 30 VAL CG1 C 20.484 0.300 2 246 30 30 VAL CG2 C 20.682 0.300 2 247 30 30 VAL N N 117.198 0.300 1 248 31 31 PRO HA H 4.210 0.030 1 249 31 31 PRO HB2 H 2.757 0.030 2 250 31 31 PRO HB3 H 1.902 0.030 2 251 31 31 PRO HD2 H 3.587 0.030 2 252 31 31 PRO HD3 H 4.598 0.030 2 253 31 31 PRO HG2 H 1.727 0.030 2 254 31 31 PRO HG3 H 1.970 0.030 2 255 31 31 PRO C C 174.490 0.300 1 256 31 31 PRO CA C 63.600 0.300 1 257 31 31 PRO CB C 31.409 0.300 1 258 31 31 PRO CD C 50.794 0.300 1 259 31 31 PRO CG C 28.970 0.300 1 260 32 32 SER H H 7.102 0.030 1 261 32 32 SER HA H 4.307 0.030 1 262 32 32 SER HB2 H 3.911 0.030 2 263 32 32 SER HB3 H 4.144 0.030 2 264 32 32 SER C C 174.408 0.300 1 265 32 32 SER CA C 61.008 0.300 1 266 32 32 SER CB C 64.218 0.300 1 267 32 32 SER N N 113.158 0.300 1 268 33 33 SER H H 7.422 0.030 1 269 33 33 SER HA H 4.413 0.030 1 270 33 33 SER HB2 H 3.686 0.030 2 271 33 33 SER HB3 H 4.035 0.030 2 272 33 33 SER C C 170.617 0.300 1 273 33 33 SER CA C 58.657 0.300 1 274 33 33 SER CB C 65.582 0.300 1 275 33 33 SER N N 111.846 0.300 1 276 34 34 LEU H H 7.915 0.030 1 277 34 34 LEU HA H 5.056 0.030 1 278 34 34 LEU HB2 H 1.718 0.030 2 279 34 34 LEU HB3 H 1.466 0.030 2 280 34 34 LEU HD1 H 0.950 0.030 1 281 34 34 LEU HD2 H 0.615 0.030 1 282 34 34 LEU HG H 1.256 0.030 1 283 34 34 LEU C C 173.589 0.300 1 284 34 34 LEU CA C 54.943 0.300 1 285 34 34 LEU CB C 45.489 0.300 1 286 34 34 LEU CD1 C 24.090 0.300 2 287 34 34 LEU CD2 C 27.097 0.300 2 288 34 34 LEU CG C 28.436 0.300 1 289 34 34 LEU N N 118.328 0.300 1 290 35 35 HIS H H 9.603 0.030 1 291 35 35 HIS HA H 5.020 0.030 1 292 35 35 HIS HB2 H 3.042 0.030 2 293 35 35 HIS HB3 H 3.009 0.030 2 294 35 35 HIS HD2 H 6.997 0.030 1 295 35 35 HIS HE1 H 7.821 0.030 1 296 35 35 HIS C C 174.013 0.300 1 297 35 35 HIS CA C 55.065 0.300 1 298 35 35 HIS CB C 33.019 0.300 1 299 35 35 HIS CD2 C 120.094 0.300 1 300 35 35 HIS CE1 C 137.816 0.300 1 301 35 35 HIS N N 126.493 0.300 1 302 36 36 VAL H H 8.518 0.030 1 303 36 36 VAL HA H 5.229 0.030 1 304 36 36 VAL HB H 1.709 0.030 1 305 36 36 VAL HG1 H 0.749 0.030 1 306 36 36 VAL HG2 H 0.820 0.030 1 307 36 36 VAL C C 174.146 0.300 1 308 36 36 VAL CA C 58.787 0.300 1 309 36 36 VAL CB C 35.184 0.300 1 310 36 36 VAL CG1 C 22.807 0.300 2 311 36 36 VAL CG2 C 19.917 0.300 2 312 36 36 VAL N N 116.171 0.300 1 313 37 37 ARG H H 8.738 0.030 1 314 37 37 ARG HA H 4.996 0.030 1 315 37 37 ARG HB2 H 1.921 0.030 2 316 37 37 ARG HB3 H 1.660 0.030 2 317 37 37 ARG HD2 H 3.214 0.030 2 318 37 37 ARG HD3 H 3.129 0.030 2 319 37 37 ARG HG2 H 1.605 0.030 2 320 37 37 ARG HG3 H 1.393 0.030 2 321 37 37 ARG C C 173.253 0.300 1 322 37 37 ARG CA C 52.293 0.300 1 323 37 37 ARG CB C 33.121 0.300 1 324 37 37 ARG CD C 43.804 0.300 1 325 37 37 ARG CG C 27.258 0.300 1 326 37 37 ARG N N 124.170 0.300 1 327 38 38 PRO HA H 4.596 0.030 1 328 38 38 PRO HB2 H 2.252 0.030 2 329 38 38 PRO HB3 H 1.780 0.030 2 330 38 38 PRO HD2 H 4.043 0.030 2 331 38 38 PRO HD3 H 3.563 0.030 2 332 38 38 PRO HG2 H 2.407 0.030 2 333 38 38 PRO HG3 H 2.130 0.030 2 334 38 38 PRO C C 175.783 0.300 1 335 38 38 PRO CA C 62.826 0.300 1 336 38 38 PRO CB C 33.286 0.300 1 337 38 38 PRO CD C 51.036 0.300 1 338 38 38 PRO CG C 27.127 0.300 1 339 39 39 LEU H H 8.598 0.030 1 340 39 39 LEU HA H 4.676 0.030 1 341 39 39 LEU HB2 H 1.860 0.030 2 342 39 39 LEU HB3 H 1.684 0.030 2 343 39 39 LEU HD1 H 0.826 0.030 1 344 39 39 LEU HD2 H 0.793 0.030 1 345 39 39 LEU HG H 1.524 0.030 1 346 39 39 LEU C C 175.443 0.300 1 347 39 39 LEU CA C 54.355 0.300 1 348 39 39 LEU CB C 39.924 0.300 1 349 39 39 LEU CD1 C 24.064 0.300 2 350 39 39 LEU CD2 C 24.972 0.300 2 351 39 39 LEU CG C 27.995 0.300 1 352 39 39 LEU N N 126.238 0.300 1 353 40 40 VAL H H 7.764 0.030 1 354 40 40 VAL HA H 4.276 0.030 1 355 40 40 VAL HB H 2.014 0.030 1 356 40 40 VAL HG1 H 0.911 0.030 1 357 40 40 VAL HG2 H 0.930 0.030 1 358 40 40 VAL C C 173.983 0.300 1 359 40 40 VAL CA C 65.534 0.300 1 360 40 40 VAL CB C 32.654 0.300 1 361 40 40 VAL CG1 C 21.085 0.300 2 362 40 40 VAL CG2 C 21.873 0.300 2 363 40 40 VAL N N 122.133 0.300 1 364 41 41 THR H H 7.704 0.030 1 365 41 41 THR HA H 4.396 0.030 1 366 41 41 THR HB H 4.840 0.030 1 367 41 41 THR HG2 H 1.170 0.030 1 368 41 41 THR C C 173.828 0.300 1 369 41 41 THR CA C 58.866 0.300 1 370 41 41 THR CB C 69.740 0.300 1 371 41 41 THR CG2 C 21.530 0.300 1 372 41 41 THR N N 101.375 0.300 1 373 42 42 SER H H 7.104 0.030 1 374 42 42 SER HA H 5.298 0.030 1 375 42 42 SER HB2 H 3.779 0.030 2 376 42 42 SER HB3 H 3.492 0.030 2 377 42 42 SER C C 172.740 0.300 1 378 42 42 SER CA C 55.602 0.300 1 379 42 42 SER CB C 66.741 0.300 1 380 42 42 SER N N 112.462 0.300 1 381 43 43 ILE H H 8.265 0.030 1 382 43 43 ILE HA H 4.337 0.030 1 383 43 43 ILE HB H 1.064 0.030 1 384 43 43 ILE HD1 H 0.393 0.030 1 385 43 43 ILE HG12 H 1.235 0.030 2 386 43 43 ILE HG13 H 0.448 0.030 2 387 43 43 ILE HG2 H 0.467 0.030 1 388 43 43 ILE C C 173.903 0.300 1 389 43 43 ILE CA C 60.745 0.300 1 390 43 43 ILE CB C 44.046 0.300 1 391 43 43 ILE CD1 C 15.096 0.300 1 392 43 43 ILE CG1 C 28.822 0.300 1 393 43 43 ILE CG2 C 17.811 0.300 1 394 43 43 ILE N N 117.707 0.300 1 395 44 44 VAL H H 8.554 0.030 1 396 44 44 VAL HA H 4.382 0.030 1 397 44 44 VAL HB H 2.014 0.030 1 398 44 44 VAL HG1 H 0.803 0.030 1 399 44 44 VAL HG2 H 0.938 0.030 1 400 44 44 VAL C C 175.622 0.300 1 401 44 44 VAL CA C 62.687 0.300 1 402 44 44 VAL CB C 32.655 0.300 1 403 44 44 VAL CG1 C 20.896 0.300 2 404 44 44 VAL CG2 C 20.443 0.300 2 405 44 44 VAL N N 127.131 0.300 1 406 45 45 VAL H H 9.510 0.030 1 407 45 45 VAL HA H 4.903 0.030 1 408 45 45 VAL HB H 2.451 0.030 1 409 45 45 VAL HG1 H 1.090 0.030 1 410 45 45 VAL HG2 H 1.035 0.030 1 411 45 45 VAL C C 174.054 0.300 1 412 45 45 VAL CA C 61.264 0.300 1 413 45 45 VAL CB C 34.056 0.300 1 414 45 45 VAL CG1 C 22.641 0.300 2 415 45 45 VAL CG2 C 22.402 0.300 2 416 45 45 VAL N N 132.649 0.300 1 417 46 46 SER H H 9.451 0.030 1 418 46 46 SER HA H 5.249 0.030 1 419 46 46 SER HB2 H 3.705 0.030 1 420 46 46 SER HB3 H 3.705 0.030 1 421 46 46 SER C C 173.114 0.300 1 422 46 46 SER CA C 57.562 0.300 1 423 46 46 SER CB C 66.134 0.300 1 424 46 46 SER N N 119.316 0.300 1 425 47 47 TRP H H 7.914 0.030 1 426 47 47 TRP HA H 5.118 0.030 1 427 47 47 TRP HB2 H 3.328 0.030 2 428 47 47 TRP HB3 H 3.253 0.030 2 429 47 47 TRP HD1 H 5.945 0.030 1 430 47 47 TRP HE1 H 6.571 0.030 1 431 47 47 TRP HE3 H 6.800 0.030 1 432 47 47 TRP HH2 H 6.508 0.030 1 433 47 47 TRP HZ2 H 6.507 0.030 1 434 47 47 TRP HZ3 H 6.567 0.030 1 435 47 47 TRP C C 174.024 0.300 1 436 47 47 TRP CA C 57.177 0.300 1 437 47 47 TRP CB C 32.456 0.300 1 438 47 47 TRP CD1 C 124.405 0.300 1 439 47 47 TRP CE3 C 120.624 0.300 1 440 47 47 TRP CH2 C 122.928 0.300 1 441 47 47 TRP CZ2 C 113.473 0.300 1 442 47 47 TRP CZ3 C 120.606 0.300 1 443 47 47 TRP N N 119.023 0.300 1 444 47 47 TRP NE1 N 124.248 0.300 1 445 48 48 THR H H 7.360 0.030 1 446 48 48 THR HA H 4.367 0.030 1 447 48 48 THR HB H 4.354 0.030 1 448 48 48 THR HG2 H 1.120 0.030 1 449 48 48 THR C C 172.343 0.300 1 450 48 48 THR CA C 57.869 0.300 1 451 48 48 THR CB C 69.763 0.300 1 452 48 48 THR CG2 C 22.640 0.300 1 453 48 48 THR N N 106.826 0.300 1 454 49 49 PRO HA H 5.207 0.030 1 455 49 49 PRO HB2 H 2.624 0.030 2 456 49 49 PRO HB3 H 1.998 0.030 2 457 49 49 PRO HD2 H 3.699 0.030 2 458 49 49 PRO HD3 H 3.573 0.030 2 459 49 49 PRO HG2 H 2.161 0.030 2 460 49 49 PRO HG3 H 2.010 0.030 2 461 49 49 PRO CA C 62.349 0.300 1 462 49 49 PRO CB C 31.102 0.300 1 463 49 49 PRO CD C 51.401 0.300 1 464 49 49 PRO CG C 27.608 0.300 1 465 50 50 PRO HA H 4.683 0.030 1 466 50 50 PRO HB2 H 2.234 0.030 2 467 50 50 PRO HB3 H 1.779 0.030 2 468 50 50 PRO HD2 H 4.064 0.030 2 469 50 50 PRO HD3 H 3.815 0.030 2 470 50 50 PRO HG2 H 1.701 0.030 2 471 50 50 PRO HG3 H 1.874 0.030 2 472 50 50 PRO C C 176.147 0.300 1 473 50 50 PRO CA C 63.241 0.300 1 474 50 50 PRO CB C 32.831 0.300 1 475 50 50 PRO CD C 51.172 0.300 1 476 50 50 PRO CG C 27.882 0.300 1 477 51 51 GLU H H 8.837 0.030 1 478 51 51 GLU HA H 3.992 0.030 1 479 51 51 GLU HB2 H 2.041 0.030 1 480 51 51 GLU HB3 H 2.041 0.030 1 481 51 51 GLU HG2 H 2.358 0.030 2 482 51 51 GLU HG3 H 2.283 0.030 2 483 51 51 GLU C C 177.189 0.300 1 484 51 51 GLU CA C 59.093 0.300 1 485 51 51 GLU CB C 30.102 0.300 1 486 51 51 GLU CG C 36.565 0.300 1 487 51 51 GLU N N 123.849 0.300 1 488 52 52 ASN H H 8.731 0.030 1 489 52 52 ASN HA H 4.638 0.030 1 490 52 52 ASN HB2 H 2.932 0.030 2 491 52 52 ASN HB3 H 2.816 0.030 2 492 52 52 ASN HD21 H 7.827 0.030 2 493 52 52 ASN HD22 H 7.114 0.030 2 494 52 52 ASN C C 175.985 0.300 1 495 52 52 ASN CA C 52.904 0.300 1 496 52 52 ASN CB C 37.186 0.300 1 497 52 52 ASN N N 115.409 0.300 1 498 52 52 ASN ND2 N 111.503 0.300 1 499 53 53 GLN H H 8.740 0.030 1 500 53 53 GLN HA H 4.312 0.030 1 501 53 53 GLN HB2 H 2.337 0.030 2 502 53 53 GLN HB3 H 1.938 0.030 2 503 53 53 GLN HE21 H 7.653 0.030 2 504 53 53 GLN HE22 H 6.788 0.030 2 505 53 53 GLN HG2 H 2.518 0.030 2 506 53 53 GLN HG3 H 2.390 0.030 2 507 53 53 GLN C C 175.884 0.300 1 508 53 53 GLN CA C 56.337 0.300 1 509 53 53 GLN CB C 28.745 0.300 1 510 53 53 GLN CG C 34.250 0.300 1 511 53 53 GLN N N 125.270 0.300 1 512 53 53 GLN NE2 N 112.682 0.300 1 513 54 54 ASN H H 8.480 0.030 1 514 54 54 ASN HA H 4.663 0.030 1 515 54 54 ASN HB2 H 2.897 0.030 1 516 54 54 ASN HB3 H 2.897 0.030 1 517 54 54 ASN HD21 H 7.600 0.030 2 518 54 54 ASN HD22 H 6.964 0.030 2 519 54 54 ASN C C 174.084 0.300 1 520 54 54 ASN CA C 54.869 0.300 1 521 54 54 ASN CB C 39.298 0.300 1 522 54 54 ASN N N 117.087 0.300 1 523 54 54 ASN ND2 N 113.158 0.300 1 524 55 55 ILE H H 6.654 0.030 1 525 55 55 ILE HA H 4.805 0.030 1 526 55 55 ILE HB H 1.662 0.030 1 527 55 55 ILE HD1 H 0.836 0.030 1 528 55 55 ILE HG12 H 1.445 0.030 2 529 55 55 ILE HG13 H 0.819 0.030 2 530 55 55 ILE HG2 H 0.783 0.030 1 531 55 55 ILE C C 176.470 0.300 1 532 55 55 ILE CA C 59.900 0.300 1 533 55 55 ILE CB C 39.046 0.300 1 534 55 55 ILE CD1 C 13.680 0.300 1 535 55 55 ILE CG1 C 27.958 0.300 1 536 55 55 ILE CG2 C 17.087 0.300 1 537 55 55 ILE N N 117.913 0.300 1 538 56 56 VAL H H 8.290 0.030 1 539 56 56 VAL HA H 3.455 0.030 1 540 56 56 VAL HB H 1.618 0.030 1 541 56 56 VAL HG1 H 0.665 0.030 1 542 56 56 VAL HG2 H 0.851 0.030 1 543 56 56 VAL C C 174.196 0.300 1 544 56 56 VAL CA C 64.387 0.300 1 545 56 56 VAL CB C 33.601 0.300 1 546 56 56 VAL CG1 C 20.878 0.300 2 547 56 56 VAL CG2 C 24.019 0.300 2 548 56 56 VAL N N 128.518 0.300 1 549 57 57 VAL H H 7.704 0.030 1 550 57 57 VAL HA H 3.852 0.030 1 551 57 57 VAL HB H 1.954 0.030 1 552 57 57 VAL HG1 H 0.597 0.030 1 553 57 57 VAL HG2 H 0.837 0.030 1 554 57 57 VAL C C 175.622 0.300 1 555 57 57 VAL CA C 62.081 0.300 1 556 57 57 VAL CB C 34.638 0.300 1 557 57 57 VAL CG1 C 22.170 0.300 2 558 57 57 VAL CG2 C 21.963 0.300 2 559 57 57 VAL N N 125.402 0.300 1 560 58 58 ARG H H 8.904 0.030 1 561 58 58 ARG HA H 4.376 0.030 1 562 58 58 ARG HB2 H 1.921 0.030 2 563 58 58 ARG HB3 H 1.572 0.030 2 564 58 58 ARG HD2 H 2.981 0.030 2 565 58 58 ARG HD3 H 3.084 0.030 2 566 58 58 ARG HE H 9.219 0.030 1 567 58 58 ARG HG2 H 1.391 0.030 2 568 58 58 ARG HG3 H 1.610 0.030 2 569 58 58 ARG C C 176.915 0.300 1 570 58 58 ARG CA C 55.356 0.300 1 571 58 58 ARG CB C 31.012 0.300 1 572 58 58 ARG CD C 42.747 0.300 1 573 58 58 ARG CG C 27.318 0.300 1 574 58 58 ARG N N 121.556 0.300 1 575 58 58 ARG NE N 86.176 0.300 1 576 59 59 GLY H H 6.889 0.030 1 577 59 59 GLY HA2 H 3.764 0.030 2 578 59 59 GLY HA3 H 3.365 0.030 2 579 59 59 GLY C C 168.393 0.300 1 580 59 59 GLY CA C 45.410 0.300 1 581 59 59 GLY N N 108.152 0.300 1 582 60 60 TYR H H 8.402 0.030 1 583 60 60 TYR HA H 5.047 0.030 1 584 60 60 TYR HB2 H 2.143 0.030 2 585 60 60 TYR HB3 H 2.101 0.030 2 586 60 60 TYR HD1 H 6.754 0.030 1 587 60 60 TYR HD2 H 6.754 0.030 1 588 60 60 TYR C C 173.751 0.300 1 589 60 60 TYR CA C 56.411 0.300 1 590 60 60 TYR CB C 41.435 0.300 1 591 60 60 TYR N N 114.320 0.300 1 592 61 61 ALA H H 9.452 0.030 1 593 61 61 ALA HA H 5.333 0.030 1 594 61 61 ALA HB H 1.127 0.030 1 595 61 61 ALA C C 176.278 0.300 1 596 61 61 ALA CA C 49.853 0.300 1 597 61 61 ALA CB C 20.806 0.300 1 598 61 61 ALA N N 124.208 0.300 1 599 62 62 ILE H H 9.575 0.030 1 600 62 62 ILE HA H 4.857 0.030 1 601 62 62 ILE HB H 1.625 0.030 1 602 62 62 ILE HD1 H 0.421 0.030 1 603 62 62 ILE HG12 H 1.092 0.030 2 604 62 62 ILE HG13 H 0.500 0.030 2 605 62 62 ILE HG2 H 0.820 0.030 1 606 62 62 ILE C C 174.682 0.300 1 607 62 62 ILE CA C 60.037 0.300 1 608 62 62 ILE CB C 39.952 0.300 1 609 62 62 ILE CD1 C 14.964 0.300 1 610 62 62 ILE CG1 C 28.174 0.300 1 611 62 62 ILE CG2 C 18.034 0.300 1 612 62 62 ILE N N 128.492 0.300 1 613 63 63 GLY H H 9.090 0.030 1 614 63 63 GLY HA2 H 5.409 0.030 2 615 63 63 GLY HA3 H 3.468 0.030 2 616 63 63 GLY C C 173.023 0.300 1 617 63 63 GLY CA C 43.766 0.300 1 618 63 63 GLY N N 117.439 0.300 1 619 64 64 TYR H H 8.292 0.030 1 620 64 64 TYR HA H 6.176 0.030 1 621 64 64 TYR HB2 H 3.144 0.030 2 622 64 64 TYR HB3 H 2.686 0.030 2 623 64 64 TYR HD1 H 6.708 0.030 1 624 64 64 TYR HD2 H 6.708 0.030 1 625 64 64 TYR HE1 H 6.606 0.030 1 626 64 64 TYR HE2 H 6.606 0.030 1 627 64 64 TYR C C 174.451 0.300 1 628 64 64 TYR CA C 56.168 0.300 1 629 64 64 TYR CB C 42.238 0.300 1 630 64 64 TYR CD1 C 133.068 0.300 1 631 64 64 TYR CD2 C 133.068 0.300 1 632 64 64 TYR CE1 C 118.636 0.300 1 633 64 64 TYR CE2 C 118.636 0.300 1 634 64 64 TYR N N 116.179 0.300 1 635 65 65 GLY H H 7.959 0.030 1 636 65 65 GLY HA2 H 4.150 0.030 2 637 65 65 GLY HA3 H 4.534 0.030 2 638 65 65 GLY C C 172.306 0.300 1 639 65 65 GLY CA C 45.785 0.300 1 640 65 65 GLY N N 104.650 0.300 1 641 66 66 ILE H H 8.502 0.030 1 642 66 66 ILE HA H 4.129 0.030 1 643 66 66 ILE HB H 1.693 0.030 1 644 66 66 ILE HD1 H 0.761 0.030 1 645 66 66 ILE HG12 H 1.347 0.030 2 646 66 66 ILE HG13 H 0.332 0.030 2 647 66 66 ILE HG2 H 0.828 0.030 1 648 66 66 ILE C C 178.553 0.300 1 649 66 66 ILE CA C 61.812 0.300 1 650 66 66 ILE CB C 37.030 0.300 1 651 66 66 ILE CD1 C 13.060 0.300 1 652 66 66 ILE CG1 C 28.006 0.300 1 653 66 66 ILE CG2 C 16.759 0.300 1 654 66 66 ILE N N 121.758 0.300 1 655 67 67 GLY H H 8.707 0.030 1 656 67 67 GLY HA2 H 4.277 0.030 2 657 67 67 GLY HA3 H 3.550 0.030 2 658 67 67 GLY C C 173.206 0.300 1 659 67 67 GLY CA C 46.130 0.300 1 660 67 67 GLY N N 118.035 0.300 1 661 68 68 SER H H 7.333 0.030 1 662 68 68 SER HB2 H 3.725 0.030 2 663 68 68 SER HB3 H 3.987 0.030 2 664 68 68 SER C C 172.464 0.300 1 665 68 68 SER CA C 55.287 0.300 1 666 68 68 SER CB C 64.170 0.300 1 667 68 68 SER N N 114.590 0.300 1 668 69 69 PRO HA H 4.450 0.030 1 669 69 69 PRO HB2 H 1.987 0.030 2 670 69 69 PRO HB3 H 1.598 0.030 2 671 69 69 PRO HD2 H 3.424 0.030 1 672 69 69 PRO HD3 H 3.424 0.030 1 673 69 69 PRO HG2 H 1.759 0.030 2 674 69 69 PRO HG3 H 1.260 0.030 2 675 69 69 PRO C C 175.056 0.300 1 676 69 69 PRO CA C 63.091 0.300 1 677 69 69 PRO CB C 30.939 0.300 1 678 69 69 PRO CD C 49.479 0.300 1 679 69 69 PRO CG C 26.476 0.300 1 680 70 70 HIS H H 7.227 0.030 1 681 70 70 HIS HA H 4.515 0.030 1 682 70 70 HIS HB2 H 3.170 0.030 2 683 70 70 HIS HB3 H 2.789 0.030 2 684 70 70 HIS HD2 H 6.901 0.030 1 685 70 70 HIS C C 175.813 0.300 1 686 70 70 HIS CA C 56.006 0.300 1 687 70 70 HIS CB C 30.783 0.300 1 688 70 70 HIS CD2 C 120.255 0.300 1 689 70 70 HIS N N 115.607 0.300 1 690 71 71 ALA H H 7.292 0.030 1 691 71 71 ALA HA H 4.077 0.030 1 692 71 71 ALA HB H 1.556 0.030 1 693 71 71 ALA C C 177.583 0.300 1 694 71 71 ALA CA C 55.016 0.300 1 695 71 71 ALA CB C 19.243 0.300 1 696 71 71 ALA N N 122.995 0.300 1 697 72 72 GLN H H 7.623 0.030 1 698 72 72 GLN HA H 4.466 0.030 1 699 72 72 GLN HB2 H 1.006 0.030 2 700 72 72 GLN HB3 H 1.537 0.030 2 701 72 72 GLN HE21 H 7.341 0.030 2 702 72 72 GLN HE22 H 6.909 0.030 2 703 72 72 GLN HG2 H 2.184 0.030 2 704 72 72 GLN HG3 H 2.128 0.030 2 705 72 72 GLN C C 174.216 0.300 1 706 72 72 GLN CA C 54.781 0.300 1 707 72 72 GLN CB C 32.144 0.300 1 708 72 72 GLN CG C 34.076 0.300 1 709 72 72 GLN N N 115.435 0.300 1 710 72 72 GLN NE2 N 111.731 0.300 1 711 73 73 THR H H 8.154 0.030 1 712 73 73 THR HA H 5.347 0.030 1 713 73 73 THR HB H 3.753 0.030 1 714 73 73 THR HG2 H 0.965 0.030 1 715 73 73 THR C C 173.860 0.300 1 716 73 73 THR CA C 61.390 0.300 1 717 73 73 THR CB C 71.750 0.300 1 718 73 73 THR CG2 C 21.489 0.300 1 719 73 73 THR N N 115.502 0.300 1 720 74 74 ILE H H 9.549 0.030 1 721 74 74 ILE HA H 4.348 0.030 1 722 74 74 ILE HB H 1.593 0.030 1 723 74 74 ILE HD1 H 0.881 0.030 1 724 74 74 ILE HG12 H 1.536 0.030 2 725 74 74 ILE HG13 H 1.294 0.030 2 726 74 74 ILE HG2 H 0.522 0.030 1 727 74 74 ILE C C 174.530 0.300 1 728 74 74 ILE CA C 59.486 0.300 1 729 74 74 ILE CB C 41.467 0.300 1 730 74 74 ILE CD1 C 13.968 0.300 1 731 74 74 ILE CG1 C 27.437 0.300 1 732 74 74 ILE CG2 C 17.177 0.300 1 733 74 74 ILE N N 128.795 0.300 1 734 75 75 LYS H H 8.522 0.030 1 735 75 75 LYS HA H 5.532 0.030 1 736 75 75 LYS HB2 H 1.739 0.030 1 737 75 75 LYS HB3 H 1.739 0.030 1 738 75 75 LYS HD2 H 1.363 0.030 2 739 75 75 LYS HD3 H 1.238 0.030 2 740 75 75 LYS HE2 H 2.509 0.030 2 741 75 75 LYS HE3 H 2.357 0.030 2 742 75 75 LYS HG2 H 1.063 0.030 2 743 75 75 LYS HG3 H 1.365 0.030 2 744 75 75 LYS C C 176.016 0.300 1 745 75 75 LYS CA C 55.206 0.300 1 746 75 75 LYS CB C 34.569 0.300 1 747 75 75 LYS CD C 29.148 0.300 1 748 75 75 LYS CE C 41.861 0.300 1 749 75 75 LYS CG C 26.088 0.300 1 750 75 75 LYS N N 125.128 0.300 1 751 76 76 VAL H H 9.119 0.030 1 752 76 76 VAL HA H 4.896 0.030 1 753 76 76 VAL HB H 2.407 0.030 1 754 76 76 VAL HG1 H 0.809 0.030 1 755 76 76 VAL HG2 H 1.048 0.030 1 756 76 76 VAL C C 175.470 0.300 1 757 76 76 VAL CA C 58.668 0.300 1 758 76 76 VAL CB C 35.630 0.300 1 759 76 76 VAL CG1 C 22.073 0.300 2 760 76 76 VAL CG2 C 19.886 0.300 2 761 76 76 VAL N N 115.545 0.300 1 762 77 77 ASP H H 8.632 0.030 1 763 77 77 ASP HA H 4.911 0.030 1 764 77 77 ASP HB2 H 3.124 0.030 2 765 77 77 ASP HB3 H 2.816 0.030 2 766 77 77 ASP C C 176.521 0.300 1 767 77 77 ASP CA C 54.673 0.300 1 768 77 77 ASP CB C 42.601 0.300 1 769 77 77 ASP N N 119.525 0.300 1 770 78 78 TYR H H 6.764 0.030 1 771 78 78 TYR HA H 4.327 0.030 1 772 78 78 TYR HB2 H 3.126 0.030 2 773 78 78 TYR HB3 H 2.475 0.030 2 774 78 78 TYR HD1 H 7.189 0.030 1 775 78 78 TYR HD2 H 7.189 0.030 1 776 78 78 TYR HE1 H 6.949 0.030 1 777 78 78 TYR HE2 H 6.949 0.030 1 778 78 78 TYR C C 175.904 0.300 1 779 78 78 TYR CA C 58.771 0.300 1 780 78 78 TYR CB C 38.204 0.300 1 781 78 78 TYR CD1 C 133.422 0.300 1 782 78 78 TYR CD2 C 133.422 0.300 1 783 78 78 TYR CE1 C 118.867 0.300 1 784 78 78 TYR CE2 C 118.867 0.300 1 785 78 78 TYR N N 113.240 0.300 1 786 79 79 LYS H H 8.182 0.030 1 787 79 79 LYS HA H 4.128 0.030 1 788 79 79 LYS HB2 H 1.716 0.030 2 789 79 79 LYS HB3 H 1.637 0.030 2 790 79 79 LYS HD2 H 1.549 0.030 2 791 79 79 LYS HD3 H 1.476 0.030 2 792 79 79 LYS HE2 H 2.875 0.030 1 793 79 79 LYS HE3 H 2.875 0.030 1 794 79 79 LYS HG2 H 0.499 0.030 2 795 79 79 LYS HG3 H 0.950 0.030 2 796 79 79 LYS C C 176.966 0.300 1 797 79 79 LYS CA C 56.853 0.300 1 798 79 79 LYS CB C 32.328 0.300 1 799 79 79 LYS CD C 29.148 0.300 1 800 79 79 LYS CE C 41.926 0.300 1 801 79 79 LYS CG C 25.273 0.300 1 802 79 79 LYS N N 122.781 0.300 1 803 80 80 GLN H H 7.558 0.030 1 804 80 80 GLN HA H 4.059 0.030 1 805 80 80 GLN HB2 H 2.329 0.030 2 806 80 80 GLN HB3 H 2.281 0.030 2 807 80 80 GLN HE21 H 8.382 0.030 2 808 80 80 GLN HE22 H 6.974 0.030 2 809 80 80 GLN HG2 H 2.773 0.030 2 810 80 80 GLN HG3 H 2.570 0.030 2 811 80 80 GLN C C 176.259 0.300 1 812 80 80 GLN CA C 55.495 0.300 1 813 80 80 GLN CB C 29.039 0.300 1 814 80 80 GLN CG C 33.873 0.300 1 815 80 80 GLN N N 118.427 0.300 1 816 80 80 GLN NE2 N 116.434 0.300 1 817 81 81 ARG H H 8.146 0.030 1 818 81 81 ARG HA H 2.735 0.030 1 819 81 81 ARG HB2 H 1.719 0.030 2 820 81 81 ARG HB3 H 1.141 0.030 2 821 81 81 ARG HD2 H 2.947 0.030 2 822 81 81 ARG HG2 H 1.465 0.030 2 823 81 81 ARG HG3 H 1.186 0.030 2 824 81 81 ARG C C 172.417 0.300 1 825 81 81 ARG CA C 52.868 0.300 1 826 81 81 ARG CB C 31.903 0.300 1 827 81 81 ARG CD C 42.170 0.300 1 828 81 81 ARG CG C 26.650 0.300 1 829 81 81 ARG N N 119.161 0.300 1 830 82 82 TYR H H 6.623 0.030 1 831 82 82 TYR HA H 5.059 0.030 1 832 82 82 TYR HB2 H 2.796 0.030 2 833 82 82 TYR HB3 H 2.647 0.030 2 834 82 82 TYR HD1 H 6.773 0.030 1 835 82 82 TYR HD2 H 6.773 0.030 1 836 82 82 TYR HE1 H 6.660 0.030 1 837 82 82 TYR HE2 H 6.660 0.030 1 838 82 82 TYR C C 174.510 0.300 1 839 82 82 TYR CA C 55.778 0.300 1 840 82 82 TYR CB C 41.023 0.300 1 841 82 82 TYR CD1 C 133.499 0.300 1 842 82 82 TYR CD2 C 133.499 0.300 1 843 82 82 TYR CE1 C 117.901 0.300 1 844 82 82 TYR CE2 C 117.901 0.300 1 845 82 82 TYR N N 114.665 0.300 1 846 83 83 TYR H H 9.501 0.030 1 847 83 83 TYR HA H 4.338 0.030 1 848 83 83 TYR HB2 H 3.285 0.030 2 849 83 83 TYR HB3 H 2.643 0.030 2 850 83 83 TYR HD1 H 6.916 0.030 1 851 83 83 TYR HD2 H 6.916 0.030 1 852 83 83 TYR HE1 H 6.709 0.030 1 853 83 83 TYR HE2 H 6.709 0.030 1 854 83 83 TYR C C 173.245 0.300 1 855 83 83 TYR CA C 59.603 0.300 1 856 83 83 TYR CB C 43.249 0.300 1 857 83 83 TYR CD1 C 132.575 0.300 1 858 83 83 TYR CD2 C 132.575 0.300 1 859 83 83 TYR CE1 C 118.624 0.300 1 860 83 83 TYR CE2 C 118.624 0.300 1 861 83 83 TYR N N 122.132 0.300 1 862 84 84 THR H H 7.584 0.030 1 863 84 84 THR HA H 4.749 0.030 1 864 84 84 THR HB H 3.741 0.030 1 865 84 84 THR HG2 H 0.859 0.030 1 866 84 84 THR C C 172.214 0.300 1 867 84 84 THR CA C 61.909 0.300 1 868 84 84 THR CB C 68.657 0.300 1 869 84 84 THR CG2 C 21.800 0.300 1 870 84 84 THR N N 124.402 0.300 1 871 85 85 ILE H H 8.846 0.030 1 872 85 85 ILE HA H 3.828 0.030 1 873 85 85 ILE HB H 1.310 0.030 1 874 85 85 ILE HD1 H 0.305 0.030 1 875 85 85 ILE HG12 H 1.725 0.030 2 876 85 85 ILE HG13 H 0.615 0.030 2 877 85 85 ILE HG2 H 0.087 0.030 1 878 85 85 ILE C C 175.298 0.300 1 879 85 85 ILE CA C 61.731 0.300 1 880 85 85 ILE CB C 38.431 0.300 1 881 85 85 ILE CD1 C 14.144 0.300 1 882 85 85 ILE CG1 C 26.877 0.300 1 883 85 85 ILE CG2 C 18.294 0.300 1 884 85 85 ILE N N 128.126 0.300 1 885 86 86 GLU H H 8.157 0.030 1 886 86 86 GLU HA H 4.659 0.030 1 887 86 86 GLU HB2 H 2.020 0.030 2 888 86 86 GLU HB3 H 1.757 0.030 2 889 86 86 GLU HG2 H 2.145 0.030 2 890 86 86 GLU HG3 H 1.934 0.030 2 891 86 86 GLU C C 175.227 0.300 1 892 86 86 GLU CA C 55.074 0.300 1 893 86 86 GLU CB C 33.294 0.300 1 894 86 86 GLU CG C 36.741 0.300 1 895 86 86 GLU N N 125.033 0.300 1 896 87 87 ASN H H 9.056 0.030 1 897 87 87 ASN HA H 4.376 0.030 1 898 87 87 ASN HB2 H 3.018 0.030 2 899 87 87 ASN HB3 H 2.944 0.030 2 900 87 87 ASN HD21 H 7.675 0.030 2 901 87 87 ASN HD22 H 6.999 0.030 2 902 87 87 ASN C C 175.055 0.300 1 903 87 87 ASN CA C 54.518 0.300 1 904 87 87 ASN CB C 36.925 0.300 1 905 87 87 ASN N N 113.172 0.300 1 906 87 87 ASN ND2 N 114.748 0.300 1 907 88 88 LEU H H 8.589 0.030 1 908 88 88 LEU HA H 4.422 0.030 1 909 88 88 LEU HB2 H 1.314 0.030 2 910 88 88 LEU HB3 H 0.809 0.030 2 911 88 88 LEU HD1 H -0.283 0.030 1 912 88 88 LEU HD2 H 0.324 0.030 1 913 88 88 LEU HG H 0.948 0.030 1 914 88 88 LEU C C 176.005 0.300 1 915 88 88 LEU CA C 53.076 0.300 1 916 88 88 LEU CB C 41.324 0.300 1 917 88 88 LEU CD1 C 25.167 0.300 2 918 88 88 LEU CD2 C 20.259 0.300 2 919 88 88 LEU CG C 25.768 0.300 1 920 88 88 LEU N N 117.955 0.300 1 921 89 89 ASP H H 8.282 0.030 1 922 89 89 ASP HA H 5.119 0.030 1 923 89 89 ASP HB2 H 2.676 0.030 2 924 89 89 ASP HB3 H 2.588 0.030 2 925 89 89 ASP CA C 52.171 0.300 1 926 89 89 ASP CB C 41.277 0.300 1 927 89 89 ASP N N 120.461 0.300 1 928 90 90 PRO HA H 5.165 0.030 1 929 90 90 PRO HB2 H 2.548 0.030 2 930 90 90 PRO HB3 H 1.913 0.030 2 931 90 90 PRO HD2 H 3.962 0.030 2 932 90 90 PRO HD3 H 3.655 0.030 2 933 90 90 PRO HG2 H 1.918 0.030 2 934 90 90 PRO HG3 H 1.849 0.030 2 935 90 90 PRO C C 177.784 0.300 1 936 90 90 PRO CA C 62.377 0.300 1 937 90 90 PRO CB C 33.422 0.300 1 938 90 90 PRO CD C 51.196 0.300 1 939 90 90 PRO CG C 27.285 0.300 1 940 91 91 SER H H 7.416 0.030 1 941 91 91 SER HA H 4.037 0.030 1 942 91 91 SER HB2 H 3.681 0.030 2 943 91 91 SER HB3 H 4.060 0.030 2 944 91 91 SER C C 174.430 0.300 1 945 91 91 SER CA C 58.455 0.300 1 946 91 91 SER CB C 62.481 0.300 1 947 91 91 SER N N 118.187 0.300 1 948 92 92 SER H H 8.696 0.030 1 949 92 92 SER HA H 4.956 0.030 1 950 92 92 SER HB2 H 3.780 0.030 2 951 92 92 SER HB3 H 3.336 0.030 2 952 92 92 SER C C 170.597 0.300 1 953 92 92 SER CA C 58.276 0.300 1 954 92 92 SER CB C 66.870 0.300 1 955 92 92 SER N N 114.560 0.300 1 956 93 93 HIS H H 8.711 0.030 1 957 93 93 HIS HA H 4.908 0.030 1 958 93 93 HIS HB2 H 3.180 0.030 2 959 93 93 HIS HB3 H 2.918 0.030 2 960 93 93 HIS HD2 H 6.844 0.030 1 961 93 93 HIS HE1 H 7.737 0.030 1 962 93 93 HIS C C 173.862 0.300 1 963 93 93 HIS CA C 55.187 0.300 1 964 93 93 HIS CB C 30.798 0.300 1 965 93 93 HIS CD2 C 119.537 0.300 1 966 93 93 HIS CE1 C 137.590 0.300 1 967 93 93 HIS N N 123.657 0.300 1 968 94 94 TYR H H 9.160 0.030 1 969 94 94 TYR HA H 4.876 0.030 1 970 94 94 TYR HB2 H 2.764 0.030 2 971 94 94 TYR HB3 H 2.602 0.030 2 972 94 94 TYR HD1 H 6.965 0.030 1 973 94 94 TYR HD2 H 6.965 0.030 1 974 94 94 TYR HE1 H 6.925 0.030 1 975 94 94 TYR HE2 H 6.925 0.030 1 976 94 94 TYR C C 175.015 0.300 1 977 94 94 TYR CA C 58.462 0.300 1 978 94 94 TYR CB C 41.710 0.300 1 979 94 94 TYR CD1 C 132.613 0.300 1 980 94 94 TYR CD2 C 132.613 0.300 1 981 94 94 TYR CE1 C 119.028 0.300 1 982 94 94 TYR CE2 C 119.028 0.300 1 983 94 94 TYR N N 125.779 0.300 1 984 95 95 VAL H H 8.688 0.030 1 985 95 95 VAL HA H 4.473 0.030 1 986 95 95 VAL HB H 1.513 0.030 1 987 95 95 VAL HG1 H 0.959 0.030 1 988 95 95 VAL HG2 H 0.768 0.030 1 989 95 95 VAL C C 174.286 0.300 1 990 95 95 VAL CA C 61.847 0.300 1 991 95 95 VAL CB C 33.575 0.300 1 992 95 95 VAL CG1 C 21.501 0.300 2 993 95 95 VAL CG2 C 21.173 0.300 2 994 95 95 VAL N N 121.480 0.300 1 995 96 96 ILE H H 8.750 0.030 1 996 96 96 ILE HA H 5.450 0.030 1 997 96 96 ILE HB H 1.509 0.030 1 998 96 96 ILE HD1 H 0.739 0.030 1 999 96 96 ILE HG12 H 1.392 0.030 2 1000 96 96 ILE HG13 H 1.192 0.030 2 1001 96 96 ILE HG2 H 0.831 0.030 1 1002 96 96 ILE C C 175.328 0.300 1 1003 96 96 ILE CA C 58.610 0.300 1 1004 96 96 ILE CB C 42.108 0.300 1 1005 96 96 ILE CD1 C 14.716 0.300 1 1006 96 96 ILE CG1 C 29.038 0.300 1 1007 96 96 ILE CG2 C 18.144 0.300 1 1008 96 96 ILE N N 126.989 0.300 1 1009 97 97 THR H H 9.309 0.030 1 1010 97 97 THR HA H 5.364 0.030 1 1011 97 97 THR HB H 3.706 0.030 1 1012 97 97 THR HG2 H 0.450 0.030 1 1013 97 97 THR C C 173.660 0.300 1 1014 97 97 THR CA C 57.988 0.300 1 1015 97 97 THR CB C 72.323 0.300 1 1016 97 97 THR CG2 C 22.005 0.300 1 1017 97 97 THR N N 114.265 0.300 1 1018 98 98 LEU H H 8.153 0.030 1 1019 98 98 LEU HA H 5.086 0.030 1 1020 98 98 LEU HB2 H 1.562 0.030 2 1021 98 98 LEU HB3 H 1.081 0.030 2 1022 98 98 LEU HD1 H -0.163 0.030 1 1023 98 98 LEU HD2 H 0.250 0.030 1 1024 98 98 LEU HG H 0.981 0.030 1 1025 98 98 LEU C C 174.751 0.300 1 1026 98 98 LEU CA C 53.068 0.300 1 1027 98 98 LEU CB C 47.589 0.300 1 1028 98 98 LEU CD1 C 23.975 0.300 2 1029 98 98 LEU CD2 C 26.995 0.300 2 1030 98 98 LEU CG C 27.821 0.300 1 1031 98 98 LEU N N 121.294 0.300 1 1032 99 99 LYS H H 8.398 0.030 1 1033 99 99 LYS HA H 4.661 0.030 1 1034 99 99 LYS HB2 H 1.600 0.030 2 1035 99 99 LYS HB3 H 1.509 0.030 2 1036 99 99 LYS HD2 H 1.693 0.030 2 1037 99 99 LYS HD3 H 1.519 0.030 2 1038 99 99 LYS HE2 H 2.755 0.030 1 1039 99 99 LYS HE3 H 2.755 0.030 1 1040 99 99 LYS HG2 H 1.284 0.030 2 1041 99 99 LYS HG3 H 1.257 0.030 2 1042 99 99 LYS C C 174.874 0.300 1 1043 99 99 LYS CA C 53.931 0.300 1 1044 99 99 LYS CB C 36.699 0.300 1 1045 99 99 LYS CD C 30.370 0.300 1 1046 99 99 LYS CE C 42.129 0.300 1 1047 99 99 LYS CG C 24.510 0.300 1 1048 99 99 LYS N N 121.865 0.300 1 1049 100 100 ALA H H 9.495 0.030 1 1050 100 100 ALA HA H 4.756 0.030 1 1051 100 100 ALA HB H 1.247 0.030 1 1052 100 100 ALA C C 176.026 0.300 1 1053 100 100 ALA CA C 50.279 0.300 1 1054 100 100 ALA CB C 21.185 0.300 1 1055 100 100 ALA N N 124.907 0.300 1 1056 101 101 PHE H H 8.179 0.030 1 1057 101 101 PHE HA H 5.438 0.030 1 1058 101 101 PHE HB2 H 3.177 0.030 2 1059 101 101 PHE HB3 H 2.591 0.030 2 1060 101 101 PHE HD1 H 6.709 0.030 1 1061 101 101 PHE HD2 H 6.709 0.030 1 1062 101 101 PHE HE1 H 7.070 0.030 1 1063 101 101 PHE HE2 H 7.070 0.030 1 1064 101 101 PHE HZ H 7.205 0.030 1 1065 101 101 PHE C C 173.771 0.300 1 1066 101 101 PHE CA C 55.748 0.300 1 1067 101 101 PHE CB C 43.812 0.300 1 1068 101 101 PHE CD1 C 132.301 0.300 1 1069 101 101 PHE CD2 C 132.301 0.300 1 1070 101 101 PHE CE1 C 130.941 0.300 1 1071 101 101 PHE CE2 C 130.941 0.300 1 1072 101 101 PHE CZ C 129.813 0.300 1 1073 101 101 PHE N N 114.545 0.300 1 1074 102 102 ASN H H 9.068 0.030 1 1075 102 102 ASN HA H 4.258 0.030 1 1076 102 102 ASN HB2 H 3.880 0.030 2 1077 102 102 ASN HB3 H 3.287 0.030 2 1078 102 102 ASN HD21 H 8.285 0.030 2 1079 102 102 ASN HD22 H 8.146 0.030 2 1080 102 102 ASN C C 175.196 0.300 1 1081 102 102 ASN CA C 52.357 0.300 1 1082 102 102 ASN CB C 38.372 0.300 1 1083 102 102 ASN N N 121.321 0.300 1 1084 102 102 ASN ND2 N 110.462 0.300 1 1085 103 103 ASN H H 9.704 0.030 1 1086 103 103 ASN HA H 4.467 0.030 1 1087 103 103 ASN HB2 H 2.862 0.030 2 1088 103 103 ASN HB3 H 2.610 0.030 2 1089 103 103 ASN HD21 H 7.507 0.030 2 1090 103 103 ASN HD22 H 6.794 0.030 2 1091 103 103 ASN C C 177.299 0.300 1 1092 103 103 ASN CA C 55.456 0.300 1 1093 103 103 ASN CB C 37.448 0.300 1 1094 103 103 ASN N N 116.122 0.300 1 1095 103 103 ASN ND2 N 109.998 0.300 1 1096 104 104 VAL H H 8.304 0.030 1 1097 104 104 VAL HA H 3.815 0.030 1 1098 104 104 VAL HB H 1.967 0.030 1 1099 104 104 VAL HG1 H 0.795 0.030 1 1100 104 104 VAL HG2 H 0.538 0.030 1 1101 104 104 VAL C C 176.369 0.300 1 1102 104 104 VAL CA C 63.961 0.300 1 1103 104 104 VAL CB C 31.372 0.300 1 1104 104 104 VAL CG1 C 22.024 0.300 2 1105 104 104 VAL CG2 C 22.793 0.300 2 1106 104 104 VAL N N 118.792 0.300 1 1107 105 105 GLY H H 7.411 0.030 1 1108 105 105 GLY HA2 H 4.347 0.030 2 1109 105 105 GLY HA3 H 3.876 0.030 2 1110 105 105 GLY C C 171.557 0.300 1 1111 105 105 GLY CA C 44.719 0.300 1 1112 105 105 GLY N N 106.572 0.300 1 1113 106 106 GLU H H 8.406 0.030 1 1114 106 106 GLU HA H 4.672 0.030 1 1115 106 106 GLU HB2 H 2.004 0.030 2 1116 106 106 GLU HG2 H 2.290 0.030 2 1117 106 106 GLU HG3 H 2.014 0.030 2 1118 106 106 GLU C C 176.834 0.300 1 1119 106 106 GLU CA C 54.766 0.300 1 1120 106 106 GLU CB C 32.083 0.300 1 1121 106 106 GLU CG C 36.347 0.300 1 1122 106 106 GLU N N 118.181 0.300 1 1123 107 107 GLY H H 8.772 0.030 1 1124 107 107 GLY HA2 H 4.215 0.030 2 1125 107 107 GLY HA3 H 3.963 0.030 2 1126 107 107 GLY C C 173.337 0.300 1 1127 107 107 GLY CA C 44.264 0.300 1 1128 107 107 GLY N N 108.579 0.300 1 1129 108 108 ILE H H 8.067 0.030 1 1130 108 108 ILE HA H 4.247 0.030 1 1131 108 108 ILE HB H 1.782 0.030 1 1132 108 108 ILE HD1 H 0.941 0.030 1 1133 108 108 ILE HG12 H 1.644 0.030 2 1134 108 108 ILE HG13 H 1.345 0.030 2 1135 108 108 ILE HG2 H 1.102 0.030 1 1136 108 108 ILE C C 175.318 0.300 1 1137 108 108 ILE CA C 58.943 0.300 1 1138 108 108 ILE CB C 39.041 0.300 1 1139 108 108 ILE CD1 C 12.795 0.300 1 1140 108 108 ILE CG1 C 27.824 0.300 1 1141 108 108 ILE CG2 C 16.980 0.300 1 1142 108 108 ILE N N 118.539 0.300 1 1143 109 109 PRO HA H 5.269 0.030 1 1144 109 109 PRO HB2 H 1.632 0.030 2 1145 109 109 PRO HB3 H 1.451 0.030 2 1146 109 109 PRO HD2 H 3.882 0.030 2 1147 109 109 PRO HD3 H 3.762 0.030 2 1148 109 109 PRO HG2 H 2.107 0.030 2 1149 109 109 PRO HG3 H 1.967 0.030 2 1150 109 109 PRO C C 178.369 0.300 1 1151 109 109 PRO CA C 61.681 0.300 1 1152 109 109 PRO CB C 32.392 0.300 1 1153 109 109 PRO CD C 50.755 0.300 1 1154 109 109 PRO CG C 26.189 0.300 1 1155 110 110 LEU H H 8.036 0.030 1 1156 110 110 LEU HA H 4.707 0.030 1 1157 110 110 LEU HB2 H 1.591 0.030 2 1158 110 110 LEU HB3 H 1.524 0.030 2 1159 110 110 LEU HD1 H 0.787 0.030 1 1160 110 110 LEU HD2 H 0.985 0.030 1 1161 110 110 LEU HG H 1.676 0.030 1 1162 110 110 LEU C C 175.831 0.300 1 1163 110 110 LEU CA C 54.092 0.300 1 1164 110 110 LEU CB C 45.437 0.300 1 1165 110 110 LEU CD1 C 26.093 0.300 2 1166 110 110 LEU CD2 C 22.822 0.300 2 1167 110 110 LEU CG C 27.226 0.300 1 1168 110 110 LEU N N 115.883 0.300 1 1169 111 111 TYR H H 8.359 0.030 1 1170 111 111 TYR HA H 5.314 0.030 1 1171 111 111 TYR HB2 H 2.839 0.030 2 1172 111 111 TYR HB3 H 2.771 0.030 2 1173 111 111 TYR HD1 H 6.945 0.030 1 1174 111 111 TYR HD2 H 6.945 0.030 1 1175 111 111 TYR HE1 H 6.672 0.030 1 1176 111 111 TYR HE2 H 6.672 0.030 1 1177 111 111 TYR C C 176.420 0.300 1 1178 111 111 TYR CA C 56.820 0.300 1 1179 111 111 TYR CB C 42.191 0.300 1 1180 111 111 TYR CD1 C 133.212 0.300 1 1181 111 111 TYR CD2 C 133.212 0.300 1 1182 111 111 TYR CE1 C 118.050 0.300 1 1183 111 111 TYR CE2 C 118.050 0.300 1 1184 111 111 TYR N N 118.396 0.300 1 1185 112 112 GLU H H 9.441 0.030 1 1186 112 112 GLU HA H 4.717 0.030 1 1187 112 112 GLU HB2 H 1.934 0.030 2 1188 112 112 GLU HB3 H 1.588 0.030 2 1189 112 112 GLU HG2 H 2.580 0.030 2 1190 112 112 GLU HG3 H 2.295 0.030 2 1191 112 112 GLU C C 175.217 0.300 1 1192 112 112 GLU CA C 55.250 0.300 1 1193 112 112 GLU CB C 36.430 0.300 1 1194 112 112 GLU CG C 37.285 0.300 1 1195 112 112 GLU N N 123.163 0.300 1 1196 113 113 SER H H 9.191 0.030 1 1197 113 113 SER HA H 5.367 0.030 1 1198 113 113 SER HB2 H 3.895 0.030 1 1199 113 113 SER HB3 H 3.895 0.030 1 1200 113 113 SER C C 172.730 0.300 1 1201 113 113 SER CA C 57.586 0.300 1 1202 113 113 SER CB C 65.894 0.300 1 1203 113 113 SER N N 116.083 0.300 1 1204 114 114 ALA H H 9.114 0.030 1 1205 114 114 ALA HA H 4.691 0.030 1 1206 114 114 ALA HB H 1.203 0.030 1 1207 114 114 ALA C C 174.114 0.300 1 1208 114 114 ALA CA C 51.143 0.300 1 1209 114 114 ALA CB C 23.142 0.300 1 1210 114 114 ALA N N 123.927 0.300 1 1211 115 115 VAL H H 8.351 0.030 1 1212 115 115 VAL HA H 5.247 0.030 1 1213 115 115 VAL HB H 1.789 0.030 1 1214 115 115 VAL HG1 H 0.784 0.030 1 1215 115 115 VAL HG2 H 0.673 0.030 1 1216 115 115 VAL C C 177.563 0.300 1 1217 115 115 VAL CA C 59.548 0.300 1 1218 115 115 VAL CB C 32.819 0.300 1 1219 115 115 VAL CG1 C 20.465 0.300 2 1220 115 115 VAL CG2 C 21.058 0.300 2 1221 115 115 VAL N N 122.500 0.300 1 1222 116 116 THR H H 9.263 0.030 1 1223 116 116 THR HA H 4.322 0.030 1 1224 116 116 THR HB H 5.066 0.030 1 1225 116 116 THR HG2 H 0.992 0.030 1 1226 116 116 THR C C 175.985 0.300 1 1227 116 116 THR CA C 61.819 0.300 1 1228 116 116 THR CB C 69.304 0.300 1 1229 116 116 THR CG2 C 24.163 0.300 1 1230 116 116 THR N N 116.984 0.300 1 1231 117 117 ARG H H 8.559 0.030 1 1232 117 117 ARG HA H 4.362 0.030 1 1233 117 117 ARG HB2 H 1.414 0.030 2 1234 117 117 ARG HB3 H 2.121 0.030 2 1235 117 117 ARG HD2 H 3.244 0.030 1 1236 117 117 ARG HD3 H 3.244 0.030 1 1237 117 117 ARG HG2 H 1.767 0.030 1 1238 117 117 ARG HG3 H 1.767 0.030 1 1239 117 117 ARG C C 173.698 0.300 1 1240 117 117 ARG CA C 54.844 0.300 1 1241 117 117 ARG CB C 30.223 0.300 1 1242 117 117 ARG CD C 43.376 0.300 1 1243 117 117 ARG CG C 27.981 0.300 1 1244 117 117 ARG N N 120.982 0.300 1 1245 118 118 PRO HA H 4.725 0.030 1 1246 118 118 PRO HB2 H 2.222 0.030 2 1247 118 118 PRO HB3 H 1.891 0.030 2 1248 118 118 PRO HD2 H 3.766 0.030 2 1249 118 118 PRO HD3 H 3.598 0.030 2 1250 118 118 PRO HG2 H 1.980 0.030 2 1251 118 118 PRO C C 176.914 0.300 1 1252 118 118 PRO CA C 62.281 0.300 1 1253 118 118 PRO CB C 32.130 0.300 1 1254 118 118 PRO CD C 49.758 0.300 1 1255 118 118 PRO CG C 27.132 0.300 1 1256 119 119 HIS H H 8.433 0.030 1 1257 119 119 HIS HA H 4.547 0.030 1 1258 119 119 HIS HB2 H 3.055 0.030 2 1259 119 119 HIS HB3 H 2.951 0.030 2 1260 119 119 HIS HD2 H 7.006 0.030 1 1261 119 119 HIS HE1 H 7.760 0.030 1 1262 119 119 HIS C C 176.309 0.300 1 1263 119 119 HIS CA C 57.248 0.300 1 1264 119 119 HIS CB C 31.378 0.300 1 1265 119 119 HIS CD2 C 119.120 0.300 1 1266 119 119 HIS CE1 C 138.738 0.300 1 1267 119 119 HIS N N 118.563 0.300 1 1268 120 120 THR H H 7.980 0.030 1 1269 120 120 THR HA H 4.362 0.030 1 1270 120 120 THR HB H 4.221 0.030 1 1271 120 120 THR HG2 H 1.152 0.030 1 1272 120 120 THR C C 174.164 0.300 1 1273 120 120 THR CA C 61.415 0.300 1 1274 120 120 THR CB C 70.003 0.300 1 1275 120 120 THR CG2 C 21.461 0.300 1 1276 120 120 THR N N 115.775 0.300 1 stop_ save_