data_10254 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the C-terminal PH domain of FYVE, RhoGEF and PH domain containing protein 3 (FGD3) from human ; _BMRB_accession_number 10254 _BMRB_flat_file_name bmr10254.str _Entry_type new _Submission_date 2008-11-20 _Accession_date 2008-11-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Tomizawa T. . . 3 Tochio N. . . 4 Muto Y. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 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" 603 "13C chemical shifts" 454 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-11-20 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C-terminal PH domain of FYVE, RhoGEF and PH domain containing protein 3 (FGD3) from human ; _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 Li H. . . 2 Tomizawa T. . . 3 Tochio N. . . 4 Muto Y. . . 5 Koshiba S. . . 6 Inoue M. . . 7 Kigawa T. . . 8 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 'FYVE, RhoGEF and PH domain containing protein 3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH 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 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; GSSGSSGSLLCGPLRLSESG ETWSEVWAAIPMSDPQVLHL QGGSQDGRLPRTIPLPSCKL SVPDPEERLDSGHVWKLQWA KQSWYLSASSAELQQQWLET LSTAAHSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 SER 9 LEU 10 LEU 11 CYS 12 GLY 13 PRO 14 LEU 15 ARG 16 LEU 17 SER 18 GLU 19 SER 20 GLY 21 GLU 22 THR 23 TRP 24 SER 25 GLU 26 VAL 27 TRP 28 ALA 29 ALA 30 ILE 31 PRO 32 MET 33 SER 34 ASP 35 PRO 36 GLN 37 VAL 38 LEU 39 HIS 40 LEU 41 GLN 42 GLY 43 GLY 44 SER 45 GLN 46 ASP 47 GLY 48 ARG 49 LEU 50 PRO 51 ARG 52 THR 53 ILE 54 PRO 55 LEU 56 PRO 57 SER 58 CYS 59 LYS 60 LEU 61 SER 62 VAL 63 PRO 64 ASP 65 PRO 66 GLU 67 GLU 68 ARG 69 LEU 70 ASP 71 SER 72 GLY 73 HIS 74 VAL 75 TRP 76 LYS 77 LEU 78 GLN 79 TRP 80 ALA 81 LYS 82 GLN 83 SER 84 TRP 85 TYR 86 LEU 87 SER 88 ALA 89 SER 90 SER 91 ALA 92 GLU 93 LEU 94 GLN 95 GLN 96 GLN 97 TRP 98 LEU 99 GLU 100 THR 101 LEU 102 SER 103 THR 104 ALA 105 ALA 106 HIS 107 SER 108 GLY 109 PRO 110 SER 111 SER 112 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 2COC "Solution Structure Of The C-Terminal Ph Domain Of Fyve, Rhogef And Ph Domain Containing Protein 3 (Fgd3) From Human" 100.00 112 100.00 100.00 2.11e-70 DBJ BAF85365 "unnamed protein product [Homo sapiens]" 88.39 724 100.00 100.00 2.41e-59 DBJ BAG63386 "unnamed protein product [Homo sapiens]" 88.39 328 100.00 100.00 4.17e-62 DBJ BAK63162 "FYVE, RhoGEF and PH domain-containing protein 3 [Pan troglodytes]" 88.39 328 97.98 100.00 5.01e-61 EMBL CAH92885 "hypothetical protein [Pongo abelii]" 88.39 737 96.97 97.98 8.64e-56 GB AAH32429 "FGD3 protein [Homo sapiens]" 88.39 725 100.00 100.00 2.55e-59 GB AAI11055 "FGD3 protein [Homo sapiens]" 88.39 725 100.00 100.00 2.55e-59 GB ACE86816 "FYVE, RhoGEF and PH domain containing 3 protein [synthetic construct]" 88.39 725 100.00 100.00 2.55e-59 GB ACE87503 "FYVE, RhoGEF and PH domain containing 3 protein [synthetic construct]" 88.39 725 100.00 100.00 2.55e-59 GB EAW62840 "FYVE, RhoGEF and PH domain containing 3, isoform CRA_a [Homo sapiens]" 88.39 725 100.00 100.00 2.55e-59 REF NP_001077005 "FYVE, RhoGEF and PH domain-containing protein 3 isoform a [Homo sapiens]" 88.39 725 100.00 100.00 2.55e-59 REF NP_001126690 "FYVE, RhoGEF and PH domain-containing protein 3 [Pongo abelii]" 88.39 737 96.97 97.98 8.64e-56 REF NP_001273922 "FYVE, RhoGEF and PH domain-containing protein 3 isoform b [Homo sapiens]" 88.39 724 100.00 100.00 2.61e-59 REF NP_149077 "FYVE, RhoGEF and PH domain-containing protein 3 isoform a [Homo sapiens]" 88.39 725 100.00 100.00 2.55e-59 REF XP_003807897 "PREDICTED: FYVE, RhoGEF and PH domain-containing protein 3 isoform X1 [Pan paniscus]" 88.39 725 96.97 97.98 2.25e-57 SP Q5JSP0 "RecName: Full=FYVE, RhoGEF and PH domain-containing protein 3; AltName: Full=Zinc finger FYVE domain-containing protein 5" 88.39 725 100.00 100.00 2.55e-59 SP Q5R5T1 "RecName: Full=FYVE, RhoGEF and PH domain-containing protein 3" 88.39 737 96.97 97.98 8.64e-56 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_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P050125-03 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.20 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.9295 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guentert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 296 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-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 'PH 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 SER HA H 5.012 0.030 1 2 8 8 SER HB2 H 3.632 0.030 1 3 8 8 SER HB3 H 3.632 0.030 1 4 8 8 SER CA C 58.166 0.300 1 5 8 8 SER CB C 64.582 0.300 1 6 9 9 LEU H H 9.253 0.030 1 7 9 9 LEU HA H 4.091 0.030 1 8 9 9 LEU HB2 H 1.432 0.030 2 9 9 9 LEU HB3 H 1.463 0.030 2 10 9 9 LEU HD1 H 0.842 0.030 1 11 9 9 LEU HD2 H 0.902 0.030 1 12 9 9 LEU HG H 1.432 0.030 1 13 9 9 LEU C C 176.799 0.300 1 14 9 9 LEU CA C 57.523 0.300 1 15 9 9 LEU CB C 42.703 0.300 1 16 9 9 LEU CD1 C 24.983 0.300 2 17 9 9 LEU CD2 C 24.354 0.300 2 18 9 9 LEU CG C 27.664 0.300 1 19 9 9 LEU N N 127.432 0.300 1 20 10 10 LEU H H 6.827 0.030 1 21 10 10 LEU HA H 4.201 0.030 1 22 10 10 LEU HB2 H 1.062 0.030 2 23 10 10 LEU HB3 H 0.723 0.030 2 24 10 10 LEU HD1 H 0.401 0.030 1 25 10 10 LEU HD2 H -0.596 0.030 1 26 10 10 LEU HG H 0.169 0.030 1 27 10 10 LEU C C 173.779 0.300 1 28 10 10 LEU CA C 54.399 0.300 1 29 10 10 LEU CB C 45.006 0.300 1 30 10 10 LEU CD1 C 22.059 0.300 2 31 10 10 LEU CD2 C 24.644 0.300 2 32 10 10 LEU CG C 26.994 0.300 1 33 10 10 LEU N N 116.105 0.300 1 34 11 11 CYS H H 7.989 0.030 1 35 11 11 CYS HA H 5.743 0.030 1 36 11 11 CYS HB2 H 3.222 0.030 2 37 11 11 CYS HB3 H 2.995 0.030 2 38 11 11 CYS C C 172.654 0.300 1 39 11 11 CYS CA C 55.546 0.300 1 40 11 11 CYS CB C 31.333 0.300 1 41 11 11 CYS N N 117.939 0.300 1 42 12 12 GLY H H 8.479 0.030 1 43 12 12 GLY HA2 H 4.419 0.030 2 44 12 12 GLY HA3 H 2.832 0.030 2 45 12 12 GLY C C 168.720 0.300 1 46 12 12 GLY CA C 44.710 0.300 1 47 12 12 GLY N N 109.046 0.300 1 48 13 13 PRO HA H 5.163 0.030 1 49 13 13 PRO HB2 H 2.445 0.030 2 50 13 13 PRO HB3 H 2.079 0.030 2 51 13 13 PRO HD2 H 3.636 0.030 1 52 13 13 PRO HD3 H 3.636 0.030 1 53 13 13 PRO HG2 H 2.309 0.030 2 54 13 13 PRO HG3 H 2.246 0.030 2 55 13 13 PRO C C 177.501 0.300 1 56 13 13 PRO CA C 62.182 0.300 1 57 13 13 PRO CB C 32.587 0.300 1 58 13 13 PRO CD C 49.348 0.300 1 59 13 13 PRO CG C 27.240 0.300 1 60 14 14 LEU H H 8.630 0.030 1 61 14 14 LEU HA H 4.764 0.030 1 62 14 14 LEU HB2 H 1.041 0.030 2 63 14 14 LEU HB3 H 0.962 0.030 2 64 14 14 LEU HD1 H 0.563 0.030 1 65 14 14 LEU HD2 H -0.458 0.030 1 66 14 14 LEU HG H 1.025 0.030 1 67 14 14 LEU C C 175.698 0.300 1 68 14 14 LEU CA C 53.975 0.300 1 69 14 14 LEU CB C 48.936 0.300 1 70 14 14 LEU CD1 C 23.341 0.300 2 71 14 14 LEU CD2 C 25.604 0.300 2 72 14 14 LEU CG C 26.865 0.300 1 73 14 14 LEU N N 122.246 0.300 1 74 15 15 ARG H H 8.498 0.030 1 75 15 15 ARG HA H 5.421 0.030 1 76 15 15 ARG HB2 H 1.892 0.030 2 77 15 15 ARG HB3 H 1.481 0.030 2 78 15 15 ARG HD2 H 2.942 0.030 2 79 15 15 ARG HD3 H 3.172 0.030 2 80 15 15 ARG HE H 7.537 0.030 1 81 15 15 ARG HG2 H 1.518 0.030 2 82 15 15 ARG HG3 H 1.591 0.030 2 83 15 15 ARG C C 174.664 0.300 1 84 15 15 ARG CA C 54.858 0.300 1 85 15 15 ARG CB C 34.085 0.300 1 86 15 15 ARG CD C 43.773 0.300 1 87 15 15 ARG CG C 27.981 0.300 1 88 15 15 ARG N N 118.593 0.300 1 89 15 15 ARG NE N 82.182 0.300 1 90 16 16 LEU H H 9.244 0.030 1 91 16 16 LEU HA H 5.662 0.030 1 92 16 16 LEU HB2 H 1.717 0.030 2 93 16 16 LEU HB3 H 1.331 0.030 2 94 16 16 LEU HD1 H 0.699 0.030 1 95 16 16 LEU HD2 H 0.552 0.030 1 96 16 16 LEU HG H 1.662 0.030 1 97 16 16 LEU C C 176.872 0.300 1 98 16 16 LEU CA C 53.746 0.300 1 99 16 16 LEU CB C 47.803 0.300 1 100 16 16 LEU CD1 C 24.633 0.300 2 101 16 16 LEU CD2 C 26.700 0.300 2 102 16 16 LEU CG C 28.310 0.300 1 103 16 16 LEU N N 123.893 0.300 1 104 17 17 SER H H 8.982 0.030 1 105 17 17 SER HA H 4.484 0.030 1 106 17 17 SER HB2 H 2.064 0.030 2 107 17 17 SER HB3 H 1.654 0.030 2 108 17 17 SER C C 173.790 0.300 1 109 17 17 SER CA C 57.081 0.300 1 110 17 17 SER CB C 64.487 0.300 1 111 17 17 SER N N 117.455 0.300 1 112 18 18 GLU H H 9.102 0.030 1 113 18 18 GLU HA H 3.832 0.030 1 114 18 18 GLU HB2 H 1.622 0.030 2 115 18 18 GLU HB3 H 1.442 0.030 2 116 18 18 GLU HG2 H 1.411 0.030 2 117 18 18 GLU HG3 H 1.633 0.030 2 118 18 18 GLU C C 176.185 0.300 1 119 18 18 GLU CA C 58.793 0.300 1 120 18 18 GLU CB C 30.037 0.300 1 121 18 18 GLU CG C 36.249 0.300 1 122 18 18 GLU N N 129.354 0.300 1 123 19 19 SER H H 7.792 0.030 1 124 19 19 SER HA H 4.650 0.030 1 125 19 19 SER HB2 H 3.972 0.030 2 126 19 19 SER HB3 H 3.683 0.030 2 127 19 19 SER C C 175.321 0.300 1 128 19 19 SER CA C 57.699 0.300 1 129 19 19 SER CB C 65.816 0.300 1 130 19 19 SER N N 108.812 0.300 1 131 20 20 GLY H H 8.376 0.030 1 132 20 20 GLY HA2 H 3.931 0.030 2 133 20 20 GLY HA3 H 2.690 0.030 2 134 20 20 GLY C C 172.644 0.300 1 135 20 20 GLY CA C 44.746 0.300 1 136 20 20 GLY N N 111.458 0.300 1 137 21 21 GLU H H 7.522 0.030 1 138 21 21 GLU HA H 4.274 0.030 1 139 21 21 GLU HB2 H 1.952 0.030 2 140 21 21 GLU HB3 H 1.822 0.030 2 141 21 21 GLU HG2 H 2.118 0.030 1 142 21 21 GLU HG3 H 2.118 0.030 1 143 21 21 GLU C C 176.266 0.300 1 144 21 21 GLU CA C 58.069 0.300 1 145 21 21 GLU CB C 31.024 0.300 1 146 21 21 GLU CG C 36.370 0.300 1 147 21 21 GLU N N 119.071 0.300 1 148 22 22 THR H H 7.436 0.030 1 149 22 22 THR HA H 4.618 0.030 1 150 22 22 THR HB H 4.050 0.030 1 151 22 22 THR HG2 H 1.176 0.030 1 152 22 22 THR C C 173.662 0.300 1 153 22 22 THR CA C 60.682 0.300 1 154 22 22 THR CB C 70.504 0.300 1 155 22 22 THR CG2 C 21.812 0.300 1 156 22 22 THR N N 111.176 0.300 1 157 23 23 TRP H H 9.121 0.030 1 158 23 23 TRP HA H 4.983 0.030 1 159 23 23 TRP HB2 H 2.912 0.030 1 160 23 23 TRP HB3 H 2.912 0.030 1 161 23 23 TRP HD1 H 7.016 0.030 1 162 23 23 TRP HE1 H 9.470 0.030 1 163 23 23 TRP HE3 H 7.039 0.030 1 164 23 23 TRP HH2 H 6.595 0.030 1 165 23 23 TRP HZ2 H 7.062 0.030 1 166 23 23 TRP HZ3 H 6.518 0.030 1 167 23 23 TRP C C 175.888 0.300 1 168 23 23 TRP CA C 56.570 0.300 1 169 23 23 TRP CB C 32.176 0.300 1 170 23 23 TRP CD1 C 127.732 0.300 1 171 23 23 TRP CE3 C 120.834 0.300 1 172 23 23 TRP CH2 C 123.151 0.300 1 173 23 23 TRP CZ2 C 113.944 0.300 1 174 23 23 TRP CZ3 C 122.163 0.300 1 175 23 23 TRP N N 127.096 0.300 1 176 23 23 TRP NE1 N 129.963 0.300 1 177 24 24 SER H H 9.273 0.030 1 178 24 24 SER HA H 4.948 0.030 1 179 24 24 SER HB2 H 3.899 0.030 2 180 24 24 SER HB3 H 3.702 0.030 2 181 24 24 SER C C 173.268 0.300 1 182 24 24 SER CA C 57.346 0.300 1 183 24 24 SER CB C 65.445 0.300 1 184 24 24 SER N N 118.031 0.300 1 185 25 25 GLU H H 8.990 0.030 1 186 25 25 GLU HA H 4.737 0.030 1 187 25 25 GLU HB2 H 2.191 0.030 2 188 25 25 GLU HB3 H 2.032 0.030 2 189 25 25 GLU HG2 H 2.360 0.030 2 190 25 25 GLU HG3 H 2.305 0.030 2 191 25 25 GLU C C 176.246 0.300 1 192 25 25 GLU CA C 57.170 0.300 1 193 25 25 GLU CB C 30.202 0.300 1 194 25 25 GLU CG C 36.864 0.300 1 195 25 25 GLU N N 125.088 0.300 1 196 26 26 VAL H H 9.012 0.030 1 197 26 26 VAL HA H 5.002 0.030 1 198 26 26 VAL HB H 1.974 0.030 1 199 26 26 VAL HG1 H 0.693 0.030 1 200 26 26 VAL HG2 H 0.551 0.030 1 201 26 26 VAL C C 174.304 0.300 1 202 26 26 VAL CA C 58.917 0.300 1 203 26 26 VAL CB C 35.753 0.300 1 204 26 26 VAL CG1 C 22.141 0.300 2 205 26 26 VAL CG2 C 19.468 0.300 2 206 26 26 VAL N N 118.076 0.300 1 207 27 27 TRP H H 8.880 0.030 1 208 27 27 TRP HA H 4.814 0.030 1 209 27 27 TRP HB2 H 3.142 0.030 1 210 27 27 TRP HB3 H 3.142 0.030 1 211 27 27 TRP HD1 H 7.045 0.030 1 212 27 27 TRP HE1 H 10.203 0.030 1 213 27 27 TRP HE3 H 7.611 0.030 1 214 27 27 TRP HH2 H 7.302 0.030 1 215 27 27 TRP HZ2 H 7.572 0.030 1 216 27 27 TRP HZ3 H 7.197 0.030 1 217 27 27 TRP C C 174.255 0.300 1 218 27 27 TRP CA C 57.117 0.300 1 219 27 27 TRP CB C 30.325 0.300 1 220 27 27 TRP CD1 C 126.993 0.300 1 221 27 27 TRP CE3 C 120.426 0.300 1 222 27 27 TRP CH2 C 124.333 0.300 1 223 27 27 TRP CZ2 C 114.621 0.300 1 224 27 27 TRP CZ3 C 121.805 0.300 1 225 27 27 TRP N N 122.873 0.300 1 226 27 27 TRP NE1 N 128.664 0.300 1 227 28 28 ALA H H 8.482 0.030 1 228 28 28 ALA HA H 5.329 0.030 1 229 28 28 ALA HB H 0.932 0.030 1 230 28 28 ALA C C 175.519 0.300 1 231 28 28 ALA CA C 49.670 0.300 1 232 28 28 ALA CB C 23.827 0.300 1 233 28 28 ALA N N 133.586 0.300 1 234 29 29 ALA H H 8.948 0.030 1 235 29 29 ALA HA H 5.160 0.030 1 236 29 29 ALA HB H 1.431 0.030 1 237 29 29 ALA C C 175.956 0.300 1 238 29 29 ALA CA C 52.210 0.300 1 239 29 29 ALA CB C 23.697 0.300 1 240 29 29 ALA N N 119.901 0.300 1 241 30 30 ILE H H 8.245 0.030 1 242 30 30 ILE HA H 5.313 0.030 1 243 30 30 ILE HB H 1.644 0.030 1 244 30 30 ILE HD1 H 0.815 0.030 1 245 30 30 ILE HG12 H 1.740 0.030 2 246 30 30 ILE HG13 H 1.132 0.030 2 247 30 30 ILE HG2 H 0.952 0.030 1 248 30 30 ILE C C 174.004 0.300 1 249 30 30 ILE CA C 57.699 0.300 1 250 30 30 ILE CB C 40.565 0.300 1 251 30 30 ILE CD1 C 14.732 0.300 1 252 30 30 ILE CG1 C 27.389 0.300 1 253 30 30 ILE CG2 C 17.614 0.300 1 254 30 30 ILE N N 122.332 0.300 1 255 31 31 PRO HA H 4.655 0.030 1 256 31 31 PRO HB2 H 2.247 0.030 2 257 31 31 PRO HB3 H 1.853 0.030 2 258 31 31 PRO HD2 H 3.839 0.030 2 259 31 31 PRO HD3 H 4.352 0.030 2 260 31 31 PRO HG2 H 1.553 0.030 2 261 31 31 PRO HG3 H 1.753 0.030 2 262 31 31 PRO C C 177.566 0.300 1 263 31 31 PRO CA C 62.464 0.300 1 264 31 31 PRO CB C 31.929 0.300 1 265 31 31 PRO CD C 51.815 0.300 1 266 31 31 PRO CG C 26.829 0.300 1 267 32 32 MET H H 8.572 0.030 1 268 32 32 MET HA H 3.997 0.030 1 269 32 32 MET HB2 H 1.948 0.030 2 270 32 32 MET HB3 H 1.761 0.030 2 271 32 32 MET HE H 2.013 0.030 1 272 32 32 MET HG2 H 2.318 0.030 2 273 32 32 MET HG3 H 2.386 0.030 2 274 32 32 MET C C 177.770 0.300 1 275 32 32 MET CA C 58.158 0.300 1 276 32 32 MET CB C 31.929 0.300 1 277 32 32 MET CE C 16.833 0.300 1 278 32 32 MET CG C 32.680 0.300 1 279 32 32 MET N N 121.580 0.300 1 280 33 33 SER H H 8.163 0.030 1 281 33 33 SER HA H 4.213 0.030 1 282 33 33 SER HB2 H 4.042 0.030 2 283 33 33 SER HB3 H 3.806 0.030 2 284 33 33 SER C C 174.424 0.300 1 285 33 33 SER CA C 58.864 0.300 1 286 33 33 SER CB C 63.225 0.300 1 287 33 33 SER N N 109.218 0.300 1 288 34 34 ASP H H 7.179 0.030 1 289 34 34 ASP HA H 4.912 0.030 1 290 34 34 ASP HB2 H 2.923 0.030 2 291 34 34 ASP HB3 H 2.365 0.030 2 292 34 34 ASP C C 171.847 0.300 1 293 34 34 ASP CA C 52.581 0.300 1 294 34 34 ASP CB C 41.223 0.300 1 295 34 34 ASP N N 120.601 0.300 1 296 35 35 PRO HA H 4.510 0.030 1 297 35 35 PRO HB2 H 2.044 0.030 1 298 35 35 PRO HB3 H 2.044 0.030 1 299 35 35 PRO HD2 H 3.471 0.030 2 300 35 35 PRO HD3 H 3.641 0.030 2 301 35 35 PRO HG2 H 1.811 0.030 2 302 35 35 PRO HG3 H 1.958 0.030 2 303 35 35 PRO C C 175.635 0.300 1 304 35 35 PRO CA C 64.511 0.300 1 305 35 35 PRO CB C 31.729 0.300 1 306 35 35 PRO CD C 49.469 0.300 1 307 35 35 PRO CG C 27.158 0.300 1 308 36 36 GLN H H 7.982 0.030 1 309 36 36 GLN HA H 4.472 0.030 1 310 36 36 GLN HB2 H 2.012 0.030 2 311 36 36 GLN HB3 H 2.179 0.030 2 312 36 36 GLN HE21 H 7.641 0.030 2 313 36 36 GLN HE22 H 6.824 0.030 2 314 36 36 GLN HG2 H 2.300 0.030 2 315 36 36 GLN HG3 H 2.213 0.030 2 316 36 36 GLN C C 174.646 0.300 1 317 36 36 GLN CA C 55.193 0.300 1 318 36 36 GLN CB C 29.420 0.300 1 319 36 36 GLN CG C 35.136 0.300 1 320 36 36 GLN N N 114.393 0.300 1 321 36 36 GLN NE2 N 112.416 0.300 1 322 37 37 VAL H H 7.878 0.030 1 323 37 37 VAL HA H 4.546 0.030 1 324 37 37 VAL HB H 1.872 0.030 1 325 37 37 VAL HG1 H 0.733 0.030 1 326 37 37 VAL HG2 H 0.552 0.030 1 327 37 37 VAL C C 172.485 0.300 1 328 37 37 VAL CA C 60.987 0.300 1 329 37 37 VAL CB C 35.218 0.300 1 330 37 37 VAL CG1 C 21.342 0.300 2 331 37 37 VAL CG2 C 21.874 0.300 2 332 37 37 VAL N N 120.432 0.300 1 333 38 38 LEU H H 7.992 0.030 1 334 38 38 LEU HA H 4.770 0.030 1 335 38 38 LEU HB2 H 1.711 0.030 2 336 38 38 LEU HB3 H 1.112 0.030 2 337 38 38 LEU HD1 H 0.581 0.030 1 338 38 38 LEU HD2 H 0.925 0.030 1 339 38 38 LEU HG H 1.213 0.030 1 340 38 38 LEU C C 175.193 0.300 1 341 38 38 LEU CA C 53.146 0.300 1 342 38 38 LEU CB C 45.359 0.300 1 343 38 38 LEU CD1 C 25.989 0.300 2 344 38 38 LEU CD2 C 24.643 0.300 2 345 38 38 LEU CG C 27.204 0.300 1 346 38 38 LEU N N 123.585 0.300 1 347 39 39 HIS H H 9.442 0.030 1 348 39 39 HIS HA H 5.212 0.030 1 349 39 39 HIS HB2 H 3.032 0.030 2 350 39 39 HIS HB3 H 3.281 0.030 2 351 39 39 HIS HD2 H 7.056 0.030 1 352 39 39 HIS HE1 H 7.738 0.030 1 353 39 39 HIS C C 175.351 0.300 1 354 39 39 HIS CA C 55.211 0.300 1 355 39 39 HIS CB C 32.669 0.300 1 356 39 39 HIS CD2 C 118.109 0.300 1 357 39 39 HIS CE1 C 138.083 0.300 1 358 39 39 HIS N N 126.949 0.300 1 359 40 40 LEU H H 8.424 0.030 1 360 40 40 LEU HA H 5.082 0.030 1 361 40 40 LEU HB2 H 1.955 0.030 2 362 40 40 LEU HB3 H 0.858 0.030 2 363 40 40 LEU HD1 H 0.492 0.030 1 364 40 40 LEU HD2 H 0.571 0.030 1 365 40 40 LEU HG H 1.234 0.030 1 366 40 40 LEU C C 176.050 0.300 1 367 40 40 LEU CA C 53.552 0.300 1 368 40 40 LEU CB C 44.019 0.300 1 369 40 40 LEU CD1 C 26.068 0.300 2 370 40 40 LEU CD2 C 24.033 0.300 2 371 40 40 LEU CG C 26.706 0.300 1 372 40 40 LEU N N 122.395 0.300 1 373 41 41 GLN H H 8.972 0.030 1 374 41 41 GLN HA H 4.723 0.030 1 375 41 41 GLN HB2 H 2.221 0.030 2 376 41 41 GLN HB3 H 2.272 0.030 2 377 41 41 GLN HE21 H 7.565 0.030 2 378 41 41 GLN HE22 H 6.756 0.030 2 379 41 41 GLN HG2 H 2.453 0.030 1 380 41 41 GLN HG3 H 2.453 0.030 1 381 41 41 GLN C C 175.453 0.300 1 382 41 41 GLN CA C 54.840 0.300 1 383 41 41 GLN CB C 31.946 0.300 1 384 41 41 GLN CG C 33.820 0.300 1 385 41 41 GLN N N 121.779 0.300 1 386 41 41 GLN NE2 N 111.663 0.300 1 387 42 42 GLY H H 8.739 0.030 1 388 42 42 GLY HA2 H 4.252 0.030 2 389 42 42 GLY HA3 H 4.200 0.030 2 390 42 42 GLY C C 173.938 0.300 1 391 42 42 GLY CA C 44.746 0.300 1 392 42 42 GLY N N 112.892 0.300 1 393 43 43 GLY H H 8.709 0.030 1 394 43 43 GLY HA2 H 4.110 0.030 2 395 43 43 GLY HA3 H 3.962 0.030 2 396 43 43 GLY C C 174.713 0.300 1 397 43 43 GLY CA C 45.346 0.300 1 398 43 43 GLY N N 108.768 0.300 1 399 44 44 SER H H 8.369 0.030 1 400 44 44 SER C C 175.312 0.300 1 401 44 44 SER CA C 58.723 0.300 1 402 44 44 SER CB C 63.924 0.300 1 403 44 44 SER N N 115.582 0.300 1 404 45 45 GLN HA H 4.346 0.030 1 405 45 45 GLN HB2 H 2.223 0.030 2 406 45 45 GLN HB3 H 2.022 0.030 2 407 45 45 GLN HE21 H 7.552 0.030 2 408 45 45 GLN HE22 H 6.845 0.030 2 409 45 45 GLN HG2 H 2.383 0.030 1 410 45 45 GLN HG3 H 2.383 0.030 1 411 45 45 GLN C C 175.931 0.300 1 412 45 45 GLN CA C 56.358 0.300 1 413 45 45 GLN CB C 28.392 0.300 1 414 45 45 GLN CG C 33.903 0.300 1 415 45 45 GLN NE2 N 112.539 0.300 1 416 46 46 ASP H H 8.053 0.030 1 417 46 46 ASP HA H 4.615 0.030 1 418 46 46 ASP HB2 H 2.737 0.030 1 419 46 46 ASP HB3 H 2.737 0.030 1 420 46 46 ASP C C 176.998 0.300 1 421 46 46 ASP CA C 54.188 0.300 1 422 46 46 ASP CB C 41.099 0.300 1 423 46 46 ASP N N 119.460 0.300 1 424 47 47 GLY H H 8.311 0.030 1 425 47 47 GLY HA2 H 3.970 0.030 1 426 47 47 GLY HA3 H 3.970 0.030 1 427 47 47 GLY C C 174.725 0.300 1 428 47 47 GLY CA C 45.892 0.300 1 429 47 47 GLY N N 109.753 0.300 1 430 48 48 ARG H H 8.300 0.030 1 431 48 48 ARG HA H 4.308 0.030 1 432 48 48 ARG HB2 H 2.012 0.030 2 433 48 48 ARG HB3 H 1.881 0.030 2 434 48 48 ARG HD2 H 3.274 0.030 2 435 48 48 ARG HD3 H 3.220 0.030 2 436 48 48 ARG HG2 H 1.642 0.030 1 437 48 48 ARG HG3 H 1.642 0.030 1 438 48 48 ARG C C 176.347 0.300 1 439 48 48 ARG CA C 56.782 0.300 1 440 48 48 ARG CB C 30.654 0.300 1 441 48 48 ARG CD C 43.115 0.300 1 442 48 48 ARG CG C 27.734 0.300 1 443 48 48 ARG N N 119.526 0.300 1 444 49 49 LEU H H 7.682 0.030 1 445 49 49 LEU HA H 4.252 0.030 1 446 49 49 LEU HB2 H 1.452 0.030 2 447 49 49 LEU HB3 H 1.216 0.030 2 448 49 49 LEU HD1 H 0.672 0.030 1 449 49 49 LEU HD2 H 0.712 0.030 1 450 49 49 LEU HG H 1.492 0.030 1 451 49 49 LEU C C 174.707 0.300 1 452 49 49 LEU CA C 53.040 0.300 1 453 49 49 LEU CB C 41.759 0.300 1 454 49 49 LEU CD1 C 25.384 0.300 2 455 49 49 LEU CD2 C 24.274 0.300 2 456 49 49 LEU CG C 26.724 0.300 1 457 49 49 LEU N N 121.049 0.300 1 458 50 50 PRO HA H 4.392 0.030 1 459 50 50 PRO HB2 H 2.143 0.030 2 460 50 50 PRO HB3 H 1.600 0.030 2 461 50 50 PRO HD2 H 2.982 0.030 2 462 50 50 PRO HD3 H 2.587 0.030 2 463 50 50 PRO HG2 H 1.163 0.030 2 464 50 50 PRO HG3 H 1.361 0.030 2 465 50 50 PRO C C 175.058 0.300 1 466 50 50 PRO CA C 62.323 0.300 1 467 50 50 PRO CB C 31.353 0.300 1 468 50 50 PRO CD C 49.704 0.300 1 469 50 50 PRO CG C 26.639 0.300 1 470 51 51 ARG H H 8.295 0.030 1 471 51 51 ARG HA H 4.511 0.030 1 472 51 51 ARG HB2 H 1.962 0.030 2 473 51 51 ARG HB3 H 1.814 0.030 2 474 51 51 ARG HD2 H 3.256 0.030 1 475 51 51 ARG HD3 H 3.256 0.030 1 476 51 51 ARG HG2 H 1.810 0.030 2 477 51 51 ARG HG3 H 1.709 0.030 2 478 51 51 ARG C C 177.443 0.300 1 479 51 51 ARG CA C 56.728 0.300 1 480 51 51 ARG CB C 31.194 0.300 1 481 51 51 ARG CD C 43.197 0.300 1 482 51 51 ARG CG C 27.405 0.300 1 483 51 51 ARG N N 119.201 0.300 1 484 52 52 THR H H 7.372 0.030 1 485 52 52 THR HA H 4.963 0.030 1 486 52 52 THR HB H 3.623 0.030 1 487 52 52 THR HG2 H 0.651 0.030 1 488 52 52 THR C C 173.287 0.300 1 489 52 52 THR CA C 59.411 0.300 1 490 52 52 THR CB C 71.632 0.300 1 491 52 52 THR CG2 C 21.976 0.300 1 492 52 52 THR N N 109.591 0.300 1 493 53 53 ILE H H 8.742 0.030 1 494 53 53 ILE HA H 3.845 0.030 1 495 53 53 ILE HB H 1.301 0.030 1 496 53 53 ILE HD1 H 0.244 0.030 1 497 53 53 ILE HG12 H 0.367 0.030 2 498 53 53 ILE HG13 H 0.950 0.030 2 499 53 53 ILE HG2 H -0.313 0.030 1 500 53 53 ILE C C 173.374 0.300 1 501 53 53 ILE CA C 57.735 0.300 1 502 53 53 ILE CB C 41.196 0.300 1 503 53 53 ILE CD1 C 13.441 0.300 1 504 53 53 ILE CG1 C 26.353 0.300 1 505 53 53 ILE CG2 C 16.124 0.300 1 506 53 53 ILE N N 123.236 0.300 1 507 54 54 PRO HA H 4.541 0.030 1 508 54 54 PRO HB2 H 1.942 0.030 2 509 54 54 PRO HB3 H 1.978 0.030 2 510 54 54 PRO HD2 H 3.202 0.030 2 511 54 54 PRO HD3 H 2.163 0.030 2 512 54 54 PRO HG2 H 1.972 0.030 2 513 54 54 PRO HG3 H 1.912 0.030 2 514 54 54 PRO CA C 61.292 0.300 1 515 54 54 PRO CB C 30.119 0.300 1 516 54 54 PRO CD C 50.024 0.300 1 517 54 54 PRO CG C 27.158 0.300 1 518 55 55 LEU H H 8.146 0.030 1 519 55 55 LEU HA H 4.262 0.030 1 520 55 55 LEU HB2 H 1.132 0.030 2 521 55 55 LEU HB3 H 1.793 0.030 2 522 55 55 LEU HD1 H 0.802 0.030 1 523 55 55 LEU HD2 H 0.762 0.030 1 524 55 55 LEU HG H 1.662 0.030 1 525 55 55 LEU CA C 58.660 0.300 1 526 55 55 LEU CB C 39.660 0.300 1 527 55 55 LEU CD1 C 26.238 0.300 2 528 55 55 LEU CD2 C 22.786 0.300 2 529 55 55 LEU CG C 26.954 0.300 1 530 55 55 LEU N N 127.224 0.300 1 531 56 56 PRO HA H 4.630 0.030 1 532 56 56 PRO HB2 H 1.841 0.030 2 533 56 56 PRO HB3 H 2.455 0.030 2 534 56 56 PRO HD2 H 3.412 0.030 2 535 56 56 PRO HD3 H 4.303 0.030 2 536 56 56 PRO HG2 H 2.083 0.030 2 537 56 56 PRO HG3 H 1.933 0.030 2 538 56 56 PRO C C 177.498 0.300 1 539 56 56 PRO CA C 65.782 0.300 1 540 56 56 PRO CB C 31.188 0.300 1 541 56 56 PRO CD C 51.257 0.300 1 542 56 56 PRO CG C 28.639 0.300 1 543 57 57 SER H H 7.722 0.030 1 544 57 57 SER HA H 4.723 0.030 1 545 57 57 SER HB2 H 4.251 0.030 2 546 57 57 SER HB3 H 3.992 0.030 2 547 57 57 SER C C 174.102 0.300 1 548 57 57 SER CA C 58.423 0.300 1 549 57 57 SER CB C 63.924 0.300 1 550 57 57 SER N N 110.169 0.300 1 551 58 58 CYS H H 8.002 0.030 1 552 58 58 CYS HA H 5.282 0.030 1 553 58 58 CYS HB2 H 3.162 0.030 2 554 58 58 CYS HB3 H 2.572 0.030 2 555 58 58 CYS C C 174.525 0.300 1 556 58 58 CYS CA C 59.447 0.300 1 557 58 58 CYS CB C 29.594 0.300 1 558 58 58 CYS N N 118.902 0.300 1 559 59 59 LYS H H 9.242 0.030 1 560 59 59 LYS HA H 4.777 0.030 1 561 59 59 LYS HB2 H 1.873 0.030 2 562 59 59 LYS HB3 H 1.810 0.030 2 563 59 59 LYS HD2 H 1.699 0.030 1 564 59 59 LYS HD3 H 1.699 0.030 1 565 59 59 LYS HE2 H 2.980 0.030 1 566 59 59 LYS HE3 H 2.980 0.030 1 567 59 59 LYS HG2 H 1.530 0.030 2 568 59 59 LYS HG3 H 1.407 0.030 2 569 59 59 LYS C C 175.947 0.300 1 570 59 59 LYS CA C 55.299 0.300 1 571 59 59 LYS CB C 34.561 0.300 1 572 59 59 LYS CD C 29.157 0.300 1 573 59 59 LYS CE C 42.223 0.300 1 574 59 59 LYS CG C 25.020 0.300 1 575 59 59 LYS N N 122.306 0.300 1 576 60 60 LEU H H 9.030 0.030 1 577 60 60 LEU HA H 5.543 0.030 1 578 60 60 LEU HB2 H 1.594 0.030 1 579 60 60 LEU HB3 H 1.594 0.030 1 580 60 60 LEU HD1 H 0.892 0.030 1 581 60 60 LEU HD2 H 0.889 0.030 1 582 60 60 LEU HG H 1.692 0.030 1 583 60 60 LEU C C 176.239 0.300 1 584 60 60 LEU CA C 53.958 0.300 1 585 60 60 LEU CB C 44.454 0.300 1 586 60 60 LEU CD1 C 25.995 0.300 2 587 60 60 LEU CD2 C 25.531 0.300 2 588 60 60 LEU CG C 28.014 0.300 1 589 60 60 LEU N N 129.520 0.300 1 590 61 61 SER H H 9.077 0.030 1 591 61 61 SER HA H 4.832 0.030 1 592 61 61 SER HB2 H 3.892 0.030 2 593 61 61 SER HB3 H 3.862 0.030 2 594 61 61 SER C C 172.173 0.300 1 595 61 61 SER CA C 57.558 0.300 1 596 61 61 SER CB C 65.692 0.300 1 597 61 61 SER N N 117.374 0.300 1 598 62 62 VAL H H 8.784 0.030 1 599 62 62 VAL HA H 4.927 0.030 1 600 62 62 VAL HB H 2.189 0.030 1 601 62 62 VAL HG1 H 1.215 0.030 1 602 62 62 VAL HG2 H 1.022 0.030 1 603 62 62 VAL C C 174.367 0.300 1 604 62 62 VAL CA C 59.782 0.300 1 605 62 62 VAL CB C 33.518 0.300 1 606 62 62 VAL CG1 C 21.344 0.300 2 607 62 62 VAL CG2 C 21.060 0.300 2 608 62 62 VAL N N 119.929 0.300 1 609 63 63 PRO HA H 4.495 0.030 1 610 63 63 PRO HB2 H 2.424 0.030 2 611 63 63 PRO HB3 H 1.962 0.030 2 612 63 63 PRO HD2 H 3.994 0.030 2 613 63 63 PRO HD3 H 3.882 0.030 2 614 63 63 PRO HG2 H 1.983 0.030 1 615 63 63 PRO HG3 H 1.983 0.030 1 616 63 63 PRO CA C 62.526 0.300 1 617 63 63 PRO CB C 32.504 0.300 1 618 63 63 PRO CD C 51.508 0.300 1 619 63 63 PRO CG C 27.624 0.300 1 620 64 64 ASP H H 8.762 0.030 1 621 64 64 ASP HA H 4.780 0.030 1 622 64 64 ASP HB2 H 2.863 0.030 2 623 64 64 ASP HB3 H 2.643 0.030 2 624 64 64 ASP CA C 53.231 0.300 1 625 64 64 ASP CB C 41.105 0.300 1 626 64 64 ASP N N 123.527 0.300 1 627 65 65 PRO HA H 4.371 0.030 1 628 65 65 PRO HB2 H 2.395 0.030 2 629 65 65 PRO HB3 H 1.981 0.030 2 630 65 65 PRO HD2 H 3.840 0.030 2 631 65 65 PRO HD3 H 3.961 0.030 2 632 65 65 PRO HG2 H 2.083 0.030 2 633 65 65 PRO HG3 H 2.121 0.030 2 634 65 65 PRO C C 178.309 0.300 1 635 65 65 PRO CA C 64.829 0.300 1 636 65 65 PRO CB C 32.136 0.300 1 637 65 65 PRO CD C 51.011 0.300 1 638 65 65 PRO CG C 27.487 0.300 1 639 66 66 GLU H H 8.890 0.030 1 640 66 66 GLU HA H 4.129 0.030 1 641 66 66 GLU HB2 H 2.080 0.030 2 642 66 66 GLU HB3 H 1.982 0.030 2 643 66 66 GLU HG2 H 2.290 0.030 1 644 66 66 GLU HG3 H 2.290 0.030 1 645 66 66 GLU C C 177.222 0.300 1 646 66 66 GLU CA C 57.805 0.300 1 647 66 66 GLU CB C 29.334 0.300 1 648 66 66 GLU CG C 36.824 0.300 1 649 66 66 GLU N N 117.225 0.300 1 650 67 67 GLU H H 7.971 0.030 1 651 67 67 GLU HA H 4.136 0.030 1 652 67 67 GLU HB2 H 2.061 0.030 2 653 67 67 GLU HB3 H 1.973 0.030 2 654 67 67 GLU HG2 H 2.299 0.030 2 655 67 67 GLU HG3 H 2.193 0.030 2 656 67 67 GLU C C 176.058 0.300 1 657 67 67 GLU CA C 57.328 0.300 1 658 67 67 GLU CB C 29.594 0.300 1 659 67 67 GLU CG C 37.110 0.300 1 660 67 67 GLU N N 119.516 0.300 1 661 68 68 ARG H H 8.020 0.030 1 662 68 68 ARG HA H 4.043 0.030 1 663 68 68 ARG HB2 H 1.762 0.030 1 664 68 68 ARG HB3 H 1.762 0.030 1 665 68 68 ARG HD2 H 3.121 0.030 1 666 68 68 ARG HD3 H 3.121 0.030 1 667 68 68 ARG HG2 H 1.556 0.030 2 668 68 68 ARG HG3 H 1.462 0.030 2 669 68 68 ARG C C 175.591 0.300 1 670 68 68 ARG CA C 56.075 0.300 1 671 68 68 ARG CB C 28.927 0.300 1 672 68 68 ARG CD C 43.379 0.300 1 673 68 68 ARG CG C 27.204 0.300 1 674 68 68 ARG N N 118.917 0.300 1 675 69 69 LEU H H 8.188 0.030 1 676 69 69 LEU HA H 4.372 0.030 1 677 69 69 LEU HB2 H 1.591 0.030 2 678 69 69 LEU HB3 H 1.312 0.030 2 679 69 69 LEU HD1 H 0.592 0.030 1 680 69 69 LEU HD2 H 0.682 0.030 1 681 69 69 LEU HG H 1.441 0.030 1 682 69 69 LEU C C 176.013 0.300 1 683 69 69 LEU CA C 54.682 0.300 1 684 69 69 LEU CB C 43.238 0.300 1 685 69 69 LEU CD1 C 25.804 0.300 2 686 69 69 LEU CD2 C 23.330 0.300 2 687 69 69 LEU CG C 26.882 0.300 1 688 69 69 LEU N N 122.935 0.300 1 689 70 70 ASP H H 8.382 0.030 1 690 70 70 ASP HA H 4.123 0.030 1 691 70 70 ASP HB2 H 1.963 0.030 2 692 70 70 ASP HB3 H 1.544 0.030 2 693 70 70 ASP C C 175.200 0.300 1 694 70 70 ASP CA C 54.558 0.300 1 695 70 70 ASP CB C 40.634 0.300 1 696 70 70 ASP N N 119.400 0.300 1 697 71 71 SER H H 7.391 0.030 1 698 71 71 SER HA H 4.233 0.030 1 699 71 71 SER HB2 H 3.686 0.030 2 700 71 71 SER HB3 H 3.548 0.030 2 701 71 71 SER C C 174.294 0.300 1 702 71 71 SER CA C 58.017 0.300 1 703 71 71 SER CB C 63.430 0.300 1 704 71 71 SER N N 114.807 0.300 1 705 72 72 GLY H H 7.981 0.030 1 706 72 72 GLY HA2 H 3.702 0.030 2 707 72 72 GLY HA3 H 3.610 0.030 2 708 72 72 GLY C C 172.912 0.300 1 709 72 72 GLY CA C 44.675 0.300 1 710 72 72 GLY N N 108.675 0.300 1 711 73 73 HIS H H 8.462 0.030 1 712 73 73 HIS HA H 4.859 0.030 1 713 73 73 HIS HB2 H 3.331 0.030 2 714 73 73 HIS HB3 H 2.751 0.030 2 715 73 73 HIS HD2 H 6.641 0.030 1 716 73 73 HIS HE1 H 7.914 0.030 1 717 73 73 HIS C C 174.804 0.300 1 718 73 73 HIS CA C 54.700 0.300 1 719 73 73 HIS CB C 28.762 0.300 1 720 73 73 HIS CD2 C 120.746 0.300 1 721 73 73 HIS CE1 C 138.100 0.300 1 722 73 73 HIS N N 122.843 0.300 1 723 74 74 VAL H H 7.682 0.030 1 724 74 74 VAL HA H 5.402 0.030 1 725 74 74 VAL HB H 1.948 0.030 1 726 74 74 VAL HG1 H 0.811 0.030 1 727 74 74 VAL HG2 H 1.056 0.030 1 728 74 74 VAL C C 176.121 0.300 1 729 74 74 VAL CA C 61.246 0.300 1 730 74 74 VAL CB C 35.383 0.300 1 731 74 74 VAL CG1 C 22.549 0.300 2 732 74 74 VAL CG2 C 23.204 0.300 2 733 74 74 VAL N N 120.824 0.300 1 734 75 75 TRP H H 9.581 0.030 1 735 75 75 TRP HA H 5.342 0.030 1 736 75 75 TRP HB2 H 3.612 0.030 2 737 75 75 TRP HB3 H 3.363 0.030 2 738 75 75 TRP HD1 H 6.832 0.030 1 739 75 75 TRP HE1 H 7.170 0.030 1 740 75 75 TRP HE3 H 7.562 0.030 1 741 75 75 TRP HH2 H 6.644 0.030 1 742 75 75 TRP HZ2 H 6.515 0.030 1 743 75 75 TRP HZ3 H 6.922 0.030 1 744 75 75 TRP C C 171.123 0.300 1 745 75 75 TRP CA C 57.046 0.300 1 746 75 75 TRP CB C 32.834 0.300 1 747 75 75 TRP CD1 C 125.614 0.300 1 748 75 75 TRP CE3 C 123.432 0.300 1 749 75 75 TRP CH2 C 125.084 0.300 1 750 75 75 TRP CZ2 C 113.119 0.300 1 751 75 75 TRP CZ3 C 121.276 0.300 1 752 75 75 TRP N N 124.656 0.300 1 753 75 75 TRP NE1 N 120.111 0.300 1 754 76 76 LYS H H 9.557 0.030 1 755 76 76 LYS HA H 5.192 0.030 1 756 76 76 LYS HB2 H 1.830 0.030 2 757 76 76 LYS HB3 H 1.262 0.030 2 758 76 76 LYS HD2 H 1.247 0.030 1 759 76 76 LYS HD3 H 1.247 0.030 1 760 76 76 LYS HE2 H 2.452 0.030 2 761 76 76 LYS HE3 H 2.331 0.030 2 762 76 76 LYS HG2 H 0.662 0.030 2 763 76 76 LYS HG3 H 0.922 0.030 2 764 76 76 LYS C C 174.801 0.300 1 765 76 76 LYS CA C 54.876 0.300 1 766 76 76 LYS CB C 36.740 0.300 1 767 76 76 LYS CD C 29.667 0.300 1 768 76 76 LYS CE C 41.816 0.300 1 769 76 76 LYS CG C 25.074 0.300 1 770 76 76 LYS N N 121.724 0.300 1 771 77 77 LEU H H 8.957 0.030 1 772 77 77 LEU HA H 5.272 0.030 1 773 77 77 LEU HB2 H 1.659 0.030 1 774 77 77 LEU HB3 H 1.659 0.030 1 775 77 77 LEU HD1 H 0.848 0.030 1 776 77 77 LEU HD2 H 0.974 0.030 1 777 77 77 LEU HG H 1.726 0.030 1 778 77 77 LEU C C 174.927 0.300 1 779 77 77 LEU CA C 54.046 0.300 1 780 77 77 LEU CB C 46.281 0.300 1 781 77 77 LEU CD1 C 26.500 0.300 2 782 77 77 LEU CD2 C 25.314 0.300 2 783 77 77 LEU CG C 27.619 0.300 1 784 77 77 LEU N N 124.578 0.300 1 785 78 78 GLN H H 8.629 0.030 1 786 78 78 GLN HA H 5.308 0.030 1 787 78 78 GLN HB2 H 2.134 0.030 2 788 78 78 GLN HB3 H 1.925 0.030 2 789 78 78 GLN HE21 H 7.482 0.030 2 790 78 78 GLN HE22 H 6.797 0.030 2 791 78 78 GLN HG2 H 2.352 0.030 2 792 78 78 GLN HG3 H 2.231 0.030 2 793 78 78 GLN C C 174.564 0.300 1 794 78 78 GLN CA C 54.452 0.300 1 795 78 78 GLN CB C 32.833 0.300 1 796 78 78 GLN CG C 34.088 0.300 1 797 78 78 GLN N N 121.344 0.300 1 798 78 78 GLN NE2 N 112.152 0.300 1 799 79 79 TRP H H 8.601 0.030 1 800 79 79 TRP HA H 5.003 0.030 1 801 79 79 TRP HB2 H 3.604 0.030 2 802 79 79 TRP HB3 H 3.054 0.030 2 803 79 79 TRP HD1 H 7.115 0.030 1 804 79 79 TRP HE1 H 10.161 0.030 1 805 79 79 TRP HE3 H 7.385 0.030 1 806 79 79 TRP HH2 H 6.773 0.030 1 807 79 79 TRP HZ2 H 7.322 0.030 1 808 79 79 TRP HZ3 H 6.927 0.030 1 809 79 79 TRP C C 173.001 0.300 1 810 79 79 TRP CA C 56.323 0.300 1 811 79 79 TRP CB C 32.258 0.300 1 812 79 79 TRP CD1 C 126.685 0.300 1 813 79 79 TRP CE3 C 122.729 0.300 1 814 79 79 TRP CH2 C 124.839 0.300 1 815 79 79 TRP CZ2 C 114.276 0.300 1 816 79 79 TRP CZ3 C 121.375 0.300 1 817 79 79 TRP N N 128.274 0.300 1 818 79 79 TRP NE1 N 128.047 0.300 1 819 80 80 ALA H H 9.181 0.030 1 820 80 80 ALA HA H 3.933 0.030 1 821 80 80 ALA HB H 1.352 0.030 1 822 80 80 ALA C C 177.360 0.300 1 823 80 80 ALA CA C 54.222 0.300 1 824 80 80 ALA CB C 17.329 0.300 1 825 80 80 ALA N N 126.348 0.300 1 826 81 81 LYS H H 8.163 0.030 1 827 81 81 LYS HA H 4.290 0.030 1 828 81 81 LYS HB2 H 1.993 0.030 2 829 81 81 LYS HB3 H 1.671 0.030 2 830 81 81 LYS HD2 H 1.602 0.030 1 831 81 81 LYS HD3 H 1.602 0.030 1 832 81 81 LYS HE2 H 2.932 0.030 1 833 81 81 LYS HE3 H 2.932 0.030 1 834 81 81 LYS HG2 H 1.391 0.030 2 835 81 81 LYS HG3 H 1.302 0.030 2 836 81 81 LYS C C 176.068 0.300 1 837 81 81 LYS CA C 56.305 0.300 1 838 81 81 LYS CB C 31.312 0.300 1 839 81 81 LYS CD C 28.794 0.300 1 840 81 81 LYS CE C 42.128 0.300 1 841 81 81 LYS CG C 25.102 0.300 1 842 81 81 LYS N N 120.289 0.300 1 843 82 82 GLN H H 8.423 0.030 1 844 82 82 GLN HA H 4.255 0.030 1 845 82 82 GLN HB2 H 0.914 0.030 2 846 82 82 GLN HB3 H 1.261 0.030 2 847 82 82 GLN HE21 H 7.238 0.030 2 848 82 82 GLN HE22 H 6.837 0.030 2 849 82 82 GLN HG2 H 1.793 0.030 2 850 82 82 GLN HG3 H 1.912 0.030 2 851 82 82 GLN C C 174.996 0.300 1 852 82 82 GLN CA C 54.805 0.300 1 853 82 82 GLN CB C 30.942 0.300 1 854 82 82 GLN CG C 33.409 0.300 1 855 82 82 GLN N N 119.918 0.300 1 856 82 82 GLN NE2 N 112.819 0.300 1 857 83 83 SER H H 7.683 0.030 1 858 83 83 SER HA H 4.991 0.030 1 859 83 83 SER HB2 H 3.399 0.030 2 860 83 83 SER HB3 H 3.341 0.030 2 861 83 83 SER C C 171.947 0.300 1 862 83 83 SER CA C 57.629 0.300 1 863 83 83 SER CB C 64.664 0.300 1 864 83 83 SER N N 115.649 0.300 1 865 84 84 TRP H H 8.665 0.030 1 866 84 84 TRP HA H 4.714 0.030 1 867 84 84 TRP HB2 H 3.131 0.030 2 868 84 84 TRP HB3 H 2.663 0.030 2 869 84 84 TRP HD1 H 6.902 0.030 1 870 84 84 TRP HE1 H 10.349 0.030 1 871 84 84 TRP HE3 H 7.296 0.030 1 872 84 84 TRP HH2 H 7.112 0.030 1 873 84 84 TRP HZ2 H 7.398 0.030 1 874 84 84 TRP HZ3 H 6.932 0.030 1 875 84 84 TRP C C 174.105 0.300 1 876 84 84 TRP CA C 56.834 0.300 1 877 84 84 TRP CB C 33.368 0.300 1 878 84 84 TRP CD1 C 126.218 0.300 1 879 84 84 TRP CE3 C 120.191 0.300 1 880 84 84 TRP CH2 C 124.307 0.300 1 881 84 84 TRP CZ2 C 114.707 0.300 1 882 84 84 TRP CZ3 C 121.439 0.300 1 883 84 84 TRP N N 122.334 0.300 1 884 84 84 TRP NE1 N 128.462 0.300 1 885 85 85 TYR H H 9.220 0.030 1 886 85 85 TYR HA H 5.209 0.030 1 887 85 85 TYR HB2 H 2.860 0.030 2 888 85 85 TYR HB3 H 2.633 0.030 2 889 85 85 TYR HD1 H 6.648 0.030 1 890 85 85 TYR HD2 H 6.648 0.030 1 891 85 85 TYR HE1 H 6.482 0.030 1 892 85 85 TYR HE2 H 6.482 0.030 1 893 85 85 TYR C C 175.136 0.300 1 894 85 85 TYR CA C 56.993 0.300 1 895 85 85 TYR CB C 41.058 0.300 1 896 85 85 TYR CD1 C 132.525 0.300 1 897 85 85 TYR CD2 C 132.525 0.300 1 898 85 85 TYR CE1 C 117.899 0.300 1 899 85 85 TYR CE2 C 117.899 0.300 1 900 85 85 TYR N N 117.934 0.300 1 901 86 86 LEU H H 8.662 0.030 1 902 86 86 LEU HA H 5.172 0.030 1 903 86 86 LEU HB2 H 0.173 0.030 2 904 86 86 LEU HB3 H -0.557 0.030 2 905 86 86 LEU HD1 H 1.232 0.030 1 906 86 86 LEU HD2 H 0.477 0.030 1 907 86 86 LEU HG H 1.722 0.030 1 908 86 86 LEU C C 174.454 0.300 1 909 86 86 LEU CA C 53.587 0.300 1 910 86 86 LEU CB C 43.773 0.300 1 911 86 86 LEU CD1 C 28.474 0.300 2 912 86 86 LEU CD2 C 25.571 0.300 2 913 86 86 LEU CG C 27.634 0.300 1 914 86 86 LEU N N 121.945 0.300 1 915 87 87 SER H H 8.642 0.030 1 916 87 87 SER HA H 4.995 0.030 1 917 87 87 SER HB2 H 3.181 0.030 1 918 87 87 SER HB3 H 3.181 0.030 1 919 87 87 SER C C 173.683 0.300 1 920 87 87 SER CA C 55.052 0.300 1 921 87 87 SER CB C 65.487 0.300 1 922 87 87 SER N N 111.719 0.300 1 923 88 88 ALA H H 8.472 0.030 1 924 88 88 ALA HA H 5.184 0.030 1 925 88 88 ALA HB H 1.721 0.030 1 926 88 88 ALA C C 178.012 0.300 1 927 88 88 ALA CA C 49.423 0.300 1 928 88 88 ALA CB C 22.919 0.300 1 929 88 88 ALA N N 126.939 0.300 1 930 89 89 SER H H 8.182 0.030 1 931 89 89 SER HA H 4.274 0.030 1 932 89 89 SER HB2 H 3.842 0.030 2 933 89 89 SER HB3 H 4.132 0.030 2 934 89 89 SER C C 174.039 0.300 1 935 89 89 SER CA C 60.135 0.300 1 936 89 89 SER CB C 63.571 0.300 1 937 89 89 SER N N 111.359 0.300 1 938 90 90 SER H H 7.392 0.030 1 939 90 90 SER HA H 4.383 0.030 1 940 90 90 SER HB2 H 3.884 0.030 2 941 90 90 SER HB3 H 4.172 0.030 2 942 90 90 SER C C 173.114 0.300 1 943 90 90 SER CA C 56.023 0.300 1 944 90 90 SER CB C 67.108 0.300 1 945 90 90 SER N N 113.112 0.300 1 946 91 91 ALA H H 8.532 0.030 1 947 91 91 ALA HA H 3.763 0.030 1 948 91 91 ALA HB H 1.347 0.030 1 949 91 91 ALA C C 179.816 0.300 1 950 91 91 ALA CA C 54.699 0.300 1 951 91 91 ALA CB C 18.111 0.300 1 952 91 91 ALA N N 123.767 0.300 1 953 92 92 GLU H H 8.766 0.030 1 954 92 92 GLU HA H 3.942 0.030 1 955 92 92 GLU HB2 H 2.022 0.030 2 956 92 92 GLU HB3 H 1.871 0.030 2 957 92 92 GLU HG2 H 2.351 0.030 2 958 92 92 GLU HG3 H 2.212 0.030 2 959 92 92 GLU C C 179.568 0.300 1 960 92 92 GLU CA C 60.206 0.300 1 961 92 92 GLU CB C 28.721 0.300 1 962 92 92 GLU CG C 36.781 0.300 1 963 92 92 GLU N N 118.712 0.300 1 964 93 93 LEU H H 7.852 0.030 1 965 93 93 LEU HA H 4.274 0.030 1 966 93 93 LEU HB2 H 1.863 0.030 2 967 93 93 LEU HB3 H 1.624 0.030 2 968 93 93 LEU HD1 H 1.126 0.030 1 969 93 93 LEU HD2 H 1.086 0.030 1 970 93 93 LEU HG H 1.682 0.030 1 971 93 93 LEU C C 178.805 0.300 1 972 93 93 LEU CA C 57.382 0.300 1 973 93 93 LEU CB C 43.115 0.300 1 974 93 93 LEU CD1 C 24.744 0.300 2 975 93 93 LEU CD2 C 23.734 0.300 2 976 93 93 LEU CG C 27.734 0.300 1 977 93 93 LEU N N 121.212 0.300 1 978 94 94 GLN H H 8.080 0.030 1 979 94 94 GLN HA H 3.843 0.030 1 980 94 94 GLN HB2 H 2.672 0.030 2 981 94 94 GLN HB3 H 2.192 0.030 2 982 94 94 GLN HE21 H 6.202 0.030 2 983 94 94 GLN HE22 H 7.273 0.030 2 984 94 94 GLN HG2 H 2.073 0.030 2 985 94 94 GLN HG3 H 2.472 0.030 2 986 94 94 GLN C C 176.960 0.300 1 987 94 94 GLN CA C 59.694 0.300 1 988 94 94 GLN CB C 28.063 0.300 1 989 94 94 GLN CG C 33.054 0.300 1 990 94 94 GLN N N 120.439 0.300 1 991 94 94 GLN NE2 N 108.917 0.300 1 992 95 95 GLN H H 8.293 0.030 1 993 95 95 GLN HA H 3.779 0.030 1 994 95 95 GLN HB2 H 2.123 0.030 2 995 95 95 GLN HB3 H 2.072 0.030 2 996 95 95 GLN HE21 H 6.751 0.030 2 997 95 95 GLN HE22 H 7.550 0.030 2 998 95 95 GLN HG2 H 2.412 0.030 1 999 95 95 GLN HG3 H 2.412 0.030 1 1000 95 95 GLN C C 177.938 0.300 1 1001 95 95 GLN CA C 59.005 0.300 1 1002 95 95 GLN CB C 27.610 0.300 1 1003 95 95 GLN CG C 33.374 0.300 1 1004 95 95 GLN N N 117.408 0.300 1 1005 95 95 GLN NE2 N 112.144 0.300 1 1006 96 96 GLN H H 7.731 0.030 1 1007 96 96 GLN HA H 3.966 0.030 1 1008 96 96 GLN HB2 H 1.992 0.030 1 1009 96 96 GLN HB3 H 1.992 0.030 1 1010 96 96 GLN HE21 H 7.214 0.030 2 1011 96 96 GLN HE22 H 6.581 0.030 2 1012 96 96 GLN HG2 H 2.310 0.030 2 1013 96 96 GLN HG3 H 1.987 0.030 2 1014 96 96 GLN C C 179.685 0.300 1 1015 96 96 GLN CA C 58.987 0.300 1 1016 96 96 GLN CB C 28.433 0.300 1 1017 96 96 GLN CG C 33.738 0.300 1 1018 96 96 GLN N N 119.621 0.300 1 1019 96 96 GLN NE2 N 111.021 0.300 1 1020 97 97 TRP H H 8.410 0.030 1 1021 97 97 TRP HA H 3.792 0.030 1 1022 97 97 TRP HB2 H 2.741 0.030 2 1023 97 97 TRP HB3 H 2.613 0.030 2 1024 97 97 TRP HD1 H 7.177 0.030 1 1025 97 97 TRP HE1 H 10.833 0.030 1 1026 97 97 TRP HE3 H 7.227 0.030 1 1027 97 97 TRP HH2 H 6.461 0.030 1 1028 97 97 TRP HZ2 H 6.789 0.030 1 1029 97 97 TRP HZ3 H 6.661 0.030 1 1030 97 97 TRP C C 178.515 0.300 1 1031 97 97 TRP CA C 61.670 0.300 1 1032 97 97 TRP CB C 29.972 0.300 1 1033 97 97 TRP CD1 C 126.685 0.300 1 1034 97 97 TRP CE3 C 118.700 0.300 1 1035 97 97 TRP CH2 C 123.666 0.300 1 1036 97 97 TRP CZ2 C 114.067 0.300 1 1037 97 97 TRP CZ3 C 120.672 0.300 1 1038 97 97 TRP N N 121.370 0.300 1 1039 97 97 TRP NE1 N 130.062 0.300 1 1040 98 98 LEU H H 8.505 0.030 1 1041 98 98 LEU HA H 3.485 0.030 1 1042 98 98 LEU HB2 H 1.562 0.030 2 1043 98 98 LEU HB3 H 1.230 0.030 2 1044 98 98 LEU HD1 H 0.572 0.030 1 1045 98 98 LEU HD2 H 0.272 0.030 1 1046 98 98 LEU HG H 1.062 0.030 1 1047 98 98 LEU C C 180.194 0.300 1 1048 98 98 LEU CA C 58.706 0.300 1 1049 98 98 LEU CB C 41.141 0.300 1 1050 98 98 LEU CD1 C 25.334 0.300 2 1051 98 98 LEU CD2 C 22.767 0.300 2 1052 98 98 LEU CG C 26.911 0.300 1 1053 98 98 LEU N N 119.038 0.300 1 1054 99 99 GLU H H 8.241 0.030 1 1055 99 99 GLU HA H 3.927 0.030 1 1056 99 99 GLU HB2 H 2.044 0.030 2 1057 99 99 GLU HB3 H 1.952 0.030 2 1058 99 99 GLU HG2 H 2.313 0.030 2 1059 99 99 GLU HG3 H 2.182 0.030 2 1060 99 99 GLU C C 179.082 0.300 1 1061 99 99 GLU CA C 59.587 0.300 1 1062 99 99 GLU CB C 29.296 0.300 1 1063 99 99 GLU CG C 36.288 0.300 1 1064 99 99 GLU N N 119.886 0.300 1 1065 100 100 THR H H 7.780 0.030 1 1066 100 100 THR HA H 3.862 0.030 1 1067 100 100 THR HB H 3.812 0.030 1 1068 100 100 THR HG2 H 0.982 0.030 1 1069 100 100 THR C C 176.899 0.300 1 1070 100 100 THR CA C 67.088 0.300 1 1071 100 100 THR CB C 68.178 0.300 1 1072 100 100 THR CG2 C 21.501 0.300 1 1073 100 100 THR N N 116.913 0.300 1 1074 101 101 LEU H H 9.159 0.030 1 1075 101 101 LEU HA H 3.993 0.030 1 1076 101 101 LEU HB2 H 1.921 0.030 2 1077 101 101 LEU HB3 H 1.342 0.030 2 1078 101 101 LEU HD1 H 1.003 0.030 1 1079 101 101 LEU HD2 H 1.083 0.030 1 1080 101 101 LEU HG H 2.362 0.030 1 1081 101 101 LEU C C 178.416 0.300 1 1082 101 101 LEU CA C 58.017 0.300 1 1083 101 101 LEU CB C 42.004 0.300 1 1084 101 101 LEU CD1 C 27.204 0.300 2 1085 101 101 LEU CD2 C 25.074 0.300 2 1086 101 101 LEU CG C 27.264 0.300 1 1087 101 101 LEU N N 121.065 0.300 1 1088 102 102 SER H H 7.978 0.030 1 1089 102 102 SER HA H 4.094 0.030 1 1090 102 102 SER HB2 H 3.992 0.030 2 1091 102 102 SER HB3 H 3.903 0.030 2 1092 102 102 SER C C 176.370 0.300 1 1093 102 102 SER CA C 61.794 0.300 1 1094 102 102 SER CB C 62.855 0.300 1 1095 102 102 SER N N 112.923 0.300 1 1096 103 103 THR H H 7.683 0.030 1 1097 103 103 THR HA H 4.020 0.030 1 1098 103 103 THR HB H 4.262 0.030 1 1099 103 103 THR HG2 H 1.244 0.030 1 1100 103 103 THR C C 176.061 0.300 1 1101 103 103 THR CA C 65.412 0.300 1 1102 103 103 THR CB C 68.918 0.300 1 1103 103 103 THR CG2 C 21.647 0.300 1 1104 103 103 THR N N 116.420 0.300 1 1105 104 104 ALA H H 7.760 0.030 1 1106 104 104 ALA HA H 4.272 0.030 1 1107 104 104 ALA HB H 1.472 0.030 1 1108 104 104 ALA C C 178.160 0.300 1 1109 104 104 ALA CA C 54.011 0.300 1 1110 104 104 ALA CB C 20.155 0.300 1 1111 104 104 ALA N N 123.981 0.300 1 1112 105 105 ALA H H 7.824 0.030 1 1113 105 105 ALA HA H 4.092 0.030 1 1114 105 105 ALA HB H 1.304 0.030 1 1115 105 105 ALA C C 177.657 0.300 1 1116 105 105 ALA CA C 53.058 0.300 1 1117 105 105 ALA CB C 19.067 0.300 1 1118 105 105 ALA N N 118.227 0.300 1 1119 106 106 HIS H H 7.675 0.030 1 1120 106 106 HIS HA H 4.703 0.030 1 1121 106 106 HIS HB2 H 3.298 0.030 2 1122 106 106 HIS HB3 H 3.161 0.030 2 1123 106 106 HIS HD2 H 7.153 0.030 1 1124 106 106 HIS HE1 H 8.024 0.030 1 1125 106 106 HIS C C 175.296 0.300 1 1126 106 106 HIS CA C 56.287 0.300 1 1127 106 106 HIS CB C 30.407 0.300 1 1128 106 106 HIS CD2 C 120.781 0.300 1 1129 106 106 HIS CE1 C 137.748 0.300 1 1130 106 106 HIS N N 115.860 0.300 1 1131 107 107 SER H H 8.015 0.030 1 1132 107 107 SER HA H 4.560 0.030 1 1133 107 107 SER HB2 H 3.912 0.030 2 1134 107 107 SER HB3 H 3.989 0.030 2 1135 107 107 SER C C 174.345 0.300 1 1136 107 107 SER CA C 58.546 0.300 1 1137 107 107 SER CB C 64.130 0.300 1 1138 107 107 SER N N 116.310 0.300 1 1139 108 108 GLY H H 8.282 0.030 1 1140 108 108 GLY HA2 H 4.213 0.030 2 1141 108 108 GLY HA3 H 4.042 0.030 2 1142 108 108 GLY C C 171.750 0.300 1 1143 108 108 GLY CA C 44.640 0.300 1 1144 108 108 GLY N N 110.511 0.300 1 1145 109 109 PRO HA H 4.497 0.030 1 1146 109 109 PRO HB2 H 2.300 0.030 2 1147 109 109 PRO HB3 H 1.992 0.030 2 1148 109 109 PRO HD2 H 3.632 0.030 1 1149 109 109 PRO HD3 H 3.632 0.030 1 1150 109 109 PRO HG2 H 2.022 0.030 1 1151 109 109 PRO HG3 H 2.022 0.030 1 1152 109 109 PRO C C 177.419 0.300 1 1153 109 109 PRO CA C 63.241 0.300 1 1154 109 109 PRO CB C 32.264 0.300 1 1155 109 109 PRO CD C 49.777 0.300 1 1156 109 109 PRO CG C 27.158 0.300 1 1157 110 110 SER H H 8.558 0.030 1 1158 110 110 SER C C 174.715 0.300 1 1159 110 110 SER CA C 58.335 0.300 1 1160 110 110 SER CB C 63.759 0.300 1 1161 110 110 SER N N 116.470 0.300 1 1162 111 111 SER H H 8.357 0.030 1 1163 111 111 SER C C 173.931 0.300 1 1164 111 111 SER CA C 58.335 0.300 1 1165 111 111 SER N N 117.961 0.300 1 stop_ save_