data_6732 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The structure of human CD23 and its interactions with IgE and CD21 ; _BMRB_accession_number 6732 _BMRB_flat_file_name bmr6732.str _Entry_type original _Submission_date 2005-07-19 _Accession_date 2005-07-19 _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 Hibbert Richard G. . 2 Teriete Peter . . 3 McDonnell James M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 6 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1246 "13C chemical shifts" 425 "15N chemical shifts" 735 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-12-07 update BMRB 'remove outliers: 142 ALA N 8.633, and 37 ASP N 8.489' 2005-10-18 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 6733 'derCD23 complex with Ca' 6734 'derCD23 complex with CD21' 6735 'derCD23 complex with IgE' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure of human CD23 and its interactions with IgE and CD21' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16172256 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hibbert Richard G. . 2 Teriete Peter . . 3 Grundy Gabrielle J. . 4 Beavil Rebecca L. . 5 Reljic Rajko . . 6 Holers V. Michael . 7 Hannan Jonathan P. . 8 Sutton Brian J. . 9 Gould Hannah J. . 10 McDonnell James M. . stop_ _Journal_abbreviation 'J. Exp. Med.' _Journal_volume 202 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 751 _Page_last 760 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name derCD23 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label derCD23 $derCD23 stop_ _System_molecular_weight 16000 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_derCD23 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common derCD23 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; SGFVCNTCPEKWINFQRKCY YFGKGTKQWVHARYACDDME GQLVSIHSPEEQDFLTKHAS HTGSWIGLRNLDLKGEFIWV DGSHVDYSNWAPGEPTSRSQ GEDCVMMRGSGRWNDAFCDR KLGAWVCDRLATCTPPASEG SAE ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLY 3 PHE 4 VAL 5 CYS 6 ASN 7 THR 8 CYS 9 PRO 10 GLU 11 LYS 12 TRP 13 ILE 14 ASN 15 PHE 16 GLN 17 ARG 18 LYS 19 CYS 20 TYR 21 TYR 22 PHE 23 GLY 24 LYS 25 GLY 26 THR 27 LYS 28 GLN 29 TRP 30 VAL 31 HIS 32 ALA 33 ARG 34 TYR 35 ALA 36 CYS 37 ASP 38 ASP 39 MET 40 GLU 41 GLY 42 GLN 43 LEU 44 VAL 45 SER 46 ILE 47 HIS 48 SER 49 PRO 50 GLU 51 GLU 52 GLN 53 ASP 54 PHE 55 LEU 56 THR 57 LYS 58 HIS 59 ALA 60 SER 61 HIS 62 THR 63 GLY 64 SER 65 TRP 66 ILE 67 GLY 68 LEU 69 ARG 70 ASN 71 LEU 72 ASP 73 LEU 74 LYS 75 GLY 76 GLU 77 PHE 78 ILE 79 TRP 80 VAL 81 ASP 82 GLY 83 SER 84 HIS 85 VAL 86 ASP 87 TYR 88 SER 89 ASN 90 TRP 91 ALA 92 PRO 93 GLY 94 GLU 95 PRO 96 THR 97 SER 98 ARG 99 SER 100 GLN 101 GLY 102 GLU 103 ASP 104 CYS 105 VAL 106 MET 107 MET 108 ARG 109 GLY 110 SER 111 GLY 112 ARG 113 TRP 114 ASN 115 ASP 116 ALA 117 PHE 118 CYS 119 ASP 120 ARG 121 LYS 122 LEU 123 GLY 124 ALA 125 TRP 126 VAL 127 CYS 128 ASP 129 ARG 130 LEU 131 ALA 132 THR 133 CYS 134 THR 135 PRO 136 PRO 137 ALA 138 SER 139 GLU 140 GLY 141 SER 142 ALA 143 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 6733 derCD23 100.00 143 100.00 100.00 1.27e-102 BMRB 6734 derCD23 100.00 143 100.00 100.00 1.27e-102 BMRB 6735 derCD23 100.00 143 100.00 100.00 1.27e-102 PDB 1T8C "Structure Of The C-Type Lectin Domain Of Cd23" 100.00 143 100.00 100.00 1.27e-102 PDB 1T8D "Structure Of The C-Type Lectin Domain Of Cd23" 100.00 143 100.00 100.00 1.27e-102 PDB 2H2R "Crystal Structure Of The Human Cd23 Lectin Domain, Apo Form" 100.00 175 98.60 98.60 6.13e-101 PDB 2H2T "Cd23 Lectin Domain, Calcium 2+-Bound" 100.00 175 98.60 98.60 6.13e-101 PDB 4EZM "Crystal Structure Of The Human Ige-Fc(Epsilon)3-4 Bound To Its B Cell Receptor Dercd23" 100.00 143 100.00 100.00 1.27e-102 PDB 4G96 "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain" 100.00 143 100.00 100.00 1.27e-102 PDB 4G9A "Crystal Structure Of Calcium2+-bound Wild-type Cd23 Lectin Domain" 100.00 143 100.00 100.00 1.27e-102 PDB 4GI0 "Crystal Structure Of Cd23 Lectin Domain Mutant E249a" 100.00 143 99.30 99.30 7.80e-102 PDB 4GJ0 "Crystal Structure Of Cd23 Lectin Domain Mutant S252a" 100.00 143 99.30 100.00 2.92e-102 PDB 4GJX "Crystal Structure Of Cd23 Lectin Domain Mutant D258a" 100.00 143 99.30 99.30 1.09e-101 PDB 4GK1 "Crystal Structure Of Cd23 Lectin Domain Mutant D270a" 100.00 143 99.30 99.30 1.09e-101 PDB 4GKO "Crystal Structure Of The Calcium2+-bound Human Ige-fc(epsilon)3-4 Bound To Its B Cell Receptor Dercd23" 100.00 143 100.00 100.00 1.27e-102 PDB 4J6J "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form A)" 100.00 143 100.00 100.00 1.27e-102 PDB 4J6K "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form B)" 100.00 143 100.00 100.00 1.27e-102 PDB 4J6L "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form C)" 100.00 143 100.00 100.00 1.27e-102 PDB 4J6M "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form D)" 100.00 143 100.00 100.00 1.27e-102 PDB 4J6N "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form E)" 100.00 143 100.00 100.00 1.27e-102 PDB 4J6P "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form F)" 100.00 143 100.00 100.00 1.27e-102 PDB 4J6Q "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form G)" 100.00 143 100.00 100.00 1.27e-102 PDB 4KI1 "Primitive Triclinic Crystal Form Of The Human Ige-fc(epsilon)3-4 Bound To Its B Cell Receptor Dercd23" 100.00 143 100.00 100.00 1.27e-102 DBJ BAD96927 "Fc fragment of IgE, low affinity II, receptor for (CD23A) variant [Homo sapiens]" 100.00 321 100.00 100.00 1.61e-103 DBJ BAG73143 "Fc fragment of IgE [synthetic construct]" 100.00 321 99.30 100.00 4.88e-103 EMBL CAA28465 "unnamed protein product [Homo sapiens]" 100.00 321 99.30 99.30 7.06e-103 GB AAA52434 "Fc-epsilon receptor old gene name 'FCE1A' [Homo sapiens]" 100.00 321 100.00 100.00 1.01e-103 GB AAA52435 "Fc-epsilon receptor old gene name 'FCE1A' [Homo sapiens]" 100.00 321 100.00 100.00 1.01e-103 GB AAH14108 "Fc fragment of IgE, low affinity II, receptor for (CD23) [Homo sapiens]" 100.00 321 100.00 100.00 1.01e-103 GB AAH62591 "Fc fragment of IgE, low affinity II, receptor for (CD23) [Homo sapiens]" 100.00 321 100.00 100.00 1.01e-103 GB ABM83161 "Fc fragment of IgE, low affinity II, receptor for (CD23) [synthetic construct]" 100.00 321 100.00 100.00 1.01e-103 REF NP_001193948 "low affinity immunoglobulin epsilon Fc receptor isoform b [Homo sapiens]" 100.00 320 100.00 100.00 1.01e-103 REF NP_001207429 "low affinity immunoglobulin epsilon Fc receptor isoform a [Homo sapiens]" 100.00 321 100.00 100.00 1.01e-103 REF NP_001993 "low affinity immunoglobulin epsilon Fc receptor isoform a [Homo sapiens]" 100.00 321 100.00 100.00 1.01e-103 REF XP_004059934 "PREDICTED: low affinity immunoglobulin epsilon Fc receptor isoform 1 [Gorilla gorilla gorilla]" 100.00 321 98.60 99.30 5.06e-102 REF XP_004059935 "PREDICTED: low affinity immunoglobulin epsilon Fc receptor isoform 2 [Gorilla gorilla gorilla]" 100.00 320 98.60 99.30 4.50e-102 SP P06734 "RecName: Full=Low affinity immunoglobulin epsilon Fc receptor; AltName: Full=BLAST-2; AltName: Full=C-type lectin domain family" 100.00 321 100.00 100.00 1.01e-103 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $derCD23 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 $derCD23 'recombinant technology' . . . . . 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 $derCD23 . mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $derCD23 300 uM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $derCD23 2.3 mM . stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.05 pH temperature 308 0.5 K 'ionic strength' 0.150 0.005 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.69 external direct . . . 1.0 urea N 15 guanidinyl ppm 79.6 external direct . . . 1.0 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_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name derCD23 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 3 PHE HA H 4.916 0.001 . 2 3 3 PHE HB2 H 3.031 0.015 . 3 3 3 PHE HB3 H 3.031 0.015 . 4 3 3 PHE C C 174.595 0 . 5 3 3 PHE CA C 57.18 0.114 . 6 3 3 PHE CB C 39.5 0 . 7 4 4 VAL H H 8.34 0.018 . 8 4 4 VAL HA H 4.155 0.009 . 9 4 4 VAL HB H 2.043 0.009 . 10 4 4 VAL HG1 H 0.904 0.01 . 11 4 4 VAL HG2 H 0.904 0.01 . 12 4 4 VAL CA C 61.532 0.206 . 13 4 4 VAL CB C 32.895 0.199 . 14 4 4 VAL CG1 C 20.393 0.152 . 15 4 4 VAL CG2 C 21.352 0 . 16 4 4 VAL N N 121.894 0.04 . 17 5 5 CYS H H 7.994 0.004 . 18 5 5 CYS N N 129.143 0.221 . 19 6 6 ASN H H 8.59 0.019 . 20 6 6 ASN HA H 4.178 0.008 . 21 6 6 ASN C C 175.867 0 . 22 6 6 ASN N N 123.951 0.055 . 23 7 7 THR H H 8.052 0.015 . 24 7 7 THR HA H 4.294 0.005 . 25 7 7 THR HB H 4.14 0.007 . 26 7 7 THR HG2 H 1.134 0.007 . 27 7 7 THR C C 173.606 0 . 28 7 7 THR CA C 63.743 0.272 . 29 7 7 THR CB C 68.783 0.129 . 30 7 7 THR CG2 C 21.71 0.258 . 31 7 7 THR N N 116.601 0.086 . 32 8 8 CYS H H 9.331 0.019 . 33 8 8 CYS HA H 5.083 0 . 34 8 8 CYS N N 126.695 0.058 . 35 9 9 PRO HA H 4.512 0.009 . 36 9 9 PRO HB2 H 2.311 0.013 . 37 9 9 PRO HB3 H 1.869 0.007 . 38 9 9 PRO HG2 H 1.996 0.02 . 39 9 9 PRO HG3 H 1.996 0.02 . 40 9 9 PRO HD2 H 3.811 0.007 . 41 9 9 PRO HD3 H 3.708 0.004 . 42 9 9 PRO C C 174.097 0 . 43 9 9 PRO CA C 61.553 0 . 44 9 9 PRO CB C 30.676 0.062 . 45 9 9 PRO CG C 27.299 0 . 46 9 9 PRO CD C 50.627 0.006 . 47 10 10 GLU H H 8.535 0.016 . 48 10 10 GLU HA H 4.224 0.006 . 49 10 10 GLU HB2 H 2.157 0.004 . 50 10 10 GLU HB3 H 2.157 0.004 . 51 10 10 GLU HG2 H 2.504 0.007 . 52 10 10 GLU HG3 H 2.504 0.007 . 53 10 10 GLU C C 172.327 0 . 54 10 10 GLU CA C 58.868 0.547 . 55 10 10 GLU CB C 29.829 0.043 . 56 10 10 GLU CG C 36.138 0.268 . 57 10 10 GLU N N 121.6 0.163 . 58 11 11 LYS H H 8.79 0.013 . 59 11 11 LYS HA H 4.038 0.013 . 60 11 11 LYS HB2 H 2.765 0.009 . 61 11 11 LYS HB3 H 2.233 0.01 . 62 11 11 LYS HG2 H 1.637 0.014 . 63 11 11 LYS HG3 H 1.637 0.014 . 64 11 11 LYS HD2 H 1.925 0.003 . 65 11 11 LYS HD3 H 1.843 0.005 . 66 11 11 LYS HE2 H 3.14 0.012 . 67 11 11 LYS HE3 H 3.14 0.012 . 68 11 11 LYS C C 169.326 0 . 69 11 11 LYS CA C 60.031 0.516 . 70 11 11 LYS CB C 30.911 0.245 . 71 11 11 LYS CG C 26.155 0.245 . 72 11 11 LYS CD C 29.043 0.013 . 73 11 11 LYS CE C 42.71 0 . 74 11 11 LYS N N 115.149 0.107 . 75 12 12 TRP H H 8.505 0.013 . 76 12 12 TRP HA H 5.208 0.006 . 77 12 12 TRP HB2 H 3.41 0.001 . 78 12 12 TRP HB3 H 3.167 0.005 . 79 12 12 TRP HD1 H 7.687 0.008 . 80 12 12 TRP HE1 H 10.434 0.012 . 81 12 12 TRP HZ2 H 7.448 0 . 82 12 12 TRP C C 173.883 0 . 83 12 12 TRP CA C 56.515 0.576 . 84 12 12 TRP CB C 29.902 0.074 . 85 12 12 TRP N N 120.206 0.087 . 86 12 12 TRP NE1 N 132.203 0.081 . 87 13 13 ILE H H 9.86 0.014 . 88 13 13 ILE HA H 4.751 0.014 . 89 13 13 ILE HB H 2.083 0.007 . 90 13 13 ILE HG12 H 1.783 0.011 . 91 13 13 ILE HG13 H 1.381 0.015 . 92 13 13 ILE HG2 H 1.229 0.006 . 93 13 13 ILE HD1 H 0.807 0.017 . 94 13 13 ILE C C 173.656 0 . 95 13 13 ILE CA C 60.563 0.463 . 96 13 13 ILE CB C 41.992 0.322 . 97 13 13 ILE CG1 C 27.404 0.192 . 98 13 13 ILE CG2 C 18.266 0.053 . 99 13 13 ILE CD1 C 13.018 0.252 . 100 13 13 ILE N N 120.783 0.089 . 101 14 14 ASN H H 9.084 0.014 . 102 14 14 ASN HA H 5.467 0.012 . 103 14 14 ASN HB2 H 3.132 0.004 . 104 14 14 ASN HB3 H 2.655 0.007 . 105 14 14 ASN HD21 H 7.206 0.009 . 106 14 14 ASN HD22 H 6.439 0.019 . 107 14 14 ASN C C 175.693 0 . 108 14 14 ASN CA C 54.028 0.234 . 109 14 14 ASN CB C 42.427 0.227 . 110 14 14 ASN N N 125.568 0.143 . 111 14 14 ASN ND2 N 109.276 0.079 . 112 15 15 PHE H H 8.357 0.014 . 113 15 15 PHE HA H 4.164 0.013 . 114 15 15 PHE HB2 H 2.21 0.016 . 115 15 15 PHE HB3 H 1.528 0.009 . 116 15 15 PHE HD1 H 7.03 0.017 . 117 15 15 PHE HD2 H 7.03 0.017 . 118 15 15 PHE HE1 H 6.729 0.01 . 119 15 15 PHE HE2 H 6.729 0.01 . 120 15 15 PHE C C 175.728 0 . 121 15 15 PHE CA C 60.027 0.067 . 122 15 15 PHE CB C 39.618 0.116 . 123 15 15 PHE N N 124.322 0.094 . 124 16 16 GLN H H 8.606 0.007 . 125 16 16 GLN HA H 3.395 0.008 . 126 16 16 GLN HB2 H 1.892 0.012 . 127 16 16 GLN HB3 H 1.759 0.009 . 128 16 16 GLN HG2 H 1.506 0.009 . 129 16 16 GLN HG3 H 0.905 0.009 . 130 16 16 GLN HE21 H 6.999 0.003 . 131 16 16 GLN HE22 H 6.854 0.002 . 132 16 16 GLN CA C 56.982 0.092 . 133 16 16 GLN CB C 25.681 0.048 . 134 16 16 GLN CG C 33.409 0.017 . 135 16 16 GLN N N 125.244 0 . 136 16 16 GLN NE2 N 110.214 0.008 . 137 17 17 ARG HA H 4.401 0.019 . 138 17 17 ARG HB2 H 2.116 0.015 . 139 17 17 ARG HB3 H 1.872 0.008 . 140 17 17 ARG HG2 H 1.679 0.011 . 141 17 17 ARG HG3 H 1.679 0.011 . 142 17 17 ARG HD2 H 3.228 0.007 . 143 17 17 ARG HD3 H 3.131 0.004 . 144 17 17 ARG C C 174.227 0 . 145 17 17 ARG CA C 56.372 0 . 146 17 17 ARG CB C 29.847 0 . 147 17 17 ARG CG C 27.112 0 . 148 17 17 ARG CD C 43.607 0.538 . 149 18 18 LYS H H 8.081 0.015 . 150 18 18 LYS HA H 4.991 0.009 . 151 18 18 LYS HB2 H 1.982 0.014 . 152 18 18 LYS HB3 H 1.483 0.007 . 153 18 18 LYS HG2 H 1.62 0.018 . 154 18 18 LYS HG3 H 1.226 0.008 . 155 18 18 LYS HD2 H 1.761 0.003 . 156 18 18 LYS HD3 H 1.658 0.009 . 157 18 18 LYS HE2 H 2.685 0.006 . 158 18 18 LYS HE3 H 2.646 0.005 . 159 18 18 LYS C C 174.796 0.007 . 160 18 18 LYS CA C 55.512 0.009 . 161 18 18 LYS CB C 37.802 0.148 . 162 18 18 LYS CG C 27.191 0.003 . 163 18 18 LYS CD C 29.379 0.001 . 164 18 18 LYS CE C 42.229 0 . 165 18 18 LYS N N 119.009 0.061 . 166 19 19 CYS H H 8.957 0.014 . 167 19 19 CYS HA H 5.602 0.01 . 168 19 19 CYS HB2 H 2.996 0.014 . 169 19 19 CYS HB3 H 2.484 0.013 . 170 19 19 CYS C C 176.633 0.046 . 171 19 19 CYS CA C 53.537 0.287 . 172 19 19 CYS CB C 44.418 0.171 . 173 19 19 CYS N N 118.979 0.072 . 174 20 20 TYR H H 9.78 0.016 . 175 20 20 TYR HA H 5.669 0.023 . 176 20 20 TYR HB2 H 2.911 0.015 . 177 20 20 TYR HB3 H 2.507 0.023 . 178 20 20 TYR HD1 H 7.226 0.016 . 179 20 20 TYR HD2 H 7.226 0.016 . 180 20 20 TYR HE1 H 7.032 0.013 . 181 20 20 TYR HE2 H 7.032 0.013 . 182 20 20 TYR C C 175.844 0.018 . 183 20 20 TYR CA C 57.342 0.274 . 184 20 20 TYR CB C 43.033 0.255 . 185 20 20 TYR N N 120.353 0.047 . 186 21 21 TYR H H 8.603 0.009 . 187 21 21 TYR HD1 H 6.521 0.014 . 188 21 21 TYR HD2 H 6.521 0.014 . 189 21 21 TYR HE1 H 6.521 0.014 . 190 21 21 TYR HE2 H 6.521 0.014 . 191 21 21 TYR C C 176.832 0.02 . 192 21 21 TYR CA C 56.956 0 . 193 21 21 TYR CB C 38.9 0 . 194 21 21 TYR N N 123.949 0.079 . 195 22 22 PHE H H 7.776 0.02 . 196 22 22 PHE HA H 4.135 0.005 . 197 22 22 PHE HB2 H 2.93 0.142 . 198 22 22 PHE HB3 H 2.502 0.009 . 199 22 22 PHE HD1 H 7.168 0.012 . 200 22 22 PHE HD2 H 7.168 0.012 . 201 22 22 PHE HE1 H 6.891 0 . 202 22 22 PHE HE2 H 6.891 0 . 203 22 22 PHE HZ H 6.76 0.012 . 204 22 22 PHE C C 175.367 -0.032 . 205 22 22 PHE CA C 57.77 0.245 . 206 22 22 PHE CB C 37.056 0.334 . 207 22 22 PHE CG C 36.753 0 . 208 22 22 PHE N N 127.776 0.173 . 209 23 23 GLY H H 7.997 0.017 . 210 23 23 GLY HA2 H 3.152 0.01 . 211 23 23 GLY HA3 H 0.959 0.007 . 212 23 23 GLY C C 177.106 0.081 . 213 23 23 GLY CA C 43.669 0.267 . 214 23 23 GLY N N 113.703 0.042 . 215 24 24 LYS H H 7.724 0.034 . 216 24 24 LYS HA H 4.9 0.012 . 217 24 24 LYS HB2 H 1.821 0 . 218 24 24 LYS HB3 H 1.669 0 . 219 24 24 LYS HG2 H 1.368 0.01 . 220 24 24 LYS HG3 H 1.368 0.01 . 221 24 24 LYS HD2 H 1.766 0.033 . 222 24 24 LYS HD3 H 1.766 0.033 . 223 24 24 LYS HE2 H 2.998 0.01 . 224 24 24 LYS HE3 H 2.998 0.01 . 225 24 24 LYS C C 173.848 0 . 226 24 24 LYS CA C 54.258 0 . 227 24 24 LYS CB C 35.979 0.168 . 228 24 24 LYS CG C 24.711 0.031 . 229 24 24 LYS CD C 35.862 0.088 . 230 24 24 LYS CE C 42.512 0 . 231 24 24 LYS N N 119.782 0.069 . 232 25 25 GLY H H 7.907 0.016 . 233 25 25 GLY HA2 H 3.946 0.02 . 234 25 25 GLY HA3 H 3.946 0.02 . 235 25 25 GLY CA C 45.192 0.174 . 236 25 25 GLY N N 112.748 0.081 . 237 27 27 LYS HA H 4.564 0 . 238 27 27 LYS C C 172.909 0 . 239 28 28 GLN H H 7.38 0.021 . 240 28 28 GLN HA H 5.819 0.009 . 241 28 28 GLN HB2 H 2.482 0.013 . 242 28 28 GLN HB3 H 2.135 0.014 . 243 28 28 GLN HG2 H 2.455 0.011 . 244 28 28 GLN HG3 H 2.402 0.018 . 245 28 28 GLN C C 172.821 0 . 246 28 28 GLN CA C 55.036 0.213 . 247 28 28 GLN CB C 29.358 0.1 . 248 28 28 GLN CG C 34.027 0.249 . 249 28 28 GLN N N 122.76 0.061 . 250 29 29 TRP H H 7.489 0.01 . 251 29 29 TRP HA H 2.323 0.008 . 252 29 29 TRP HB2 H 2.963 0.009 . 253 29 29 TRP HB3 H 1.245 0.009 . 254 29 29 TRP HE1 H 10.451 0.013 . 255 29 29 TRP HZ2 H 6.945 0.015 . 256 29 29 TRP C C 171.945 -0.002 . 257 29 29 TRP CA C 63.747 0.282 . 258 29 29 TRP CB C 29.389 0.046 . 259 29 29 TRP N N 122.887 0.06 . 260 29 29 TRP NE1 N 128.977 0.045 . 261 30 30 VAL H H 9.259 0.016 . 262 30 30 VAL HA H 3.331 0.008 . 263 30 30 VAL HB H 2.05 0.007 . 264 30 30 VAL HG1 H 0.954 0.01 . 265 30 30 VAL HG2 H 0.698 0.008 . 266 30 30 VAL C C 173.808 0.02 . 267 30 30 VAL CA C 64.777 0.296 . 268 30 30 VAL CB C 31.058 0.028 . 269 30 30 VAL CG1 C 22.056 0.251 . 270 30 30 VAL CG2 C 20.539 0.091 . 271 30 30 VAL N N 115.034 0.086 . 272 31 31 HIS H H 6.367 0.014 . 273 31 31 HIS HA H 4.362 0.012 . 274 31 31 HIS HB2 H 3.183 0.007 . 275 31 31 HIS HB3 H 2.981 0.021 . 276 31 31 HIS C C 170.935 -0.002 . 277 31 31 HIS CA C 57.789 0.18 . 278 31 31 HIS CB C 31.188 0 . 279 31 31 HIS N N 118.073 0.07 . 280 32 32 ALA H H 7.868 0.015 . 281 32 32 ALA HA H 2.939 0.01 . 282 32 32 ALA HB H 1.007 0 . 283 32 32 ALA C C 173.195 0.021 . 284 32 32 ALA CA C 54.319 0.36 . 285 32 32 ALA CB C 17.272 0 . 286 32 32 ALA N N 126.582 0.103 . 287 33 33 ARG H H 7.731 0 . 288 33 33 ARG HA H 3.321 0.008 . 289 33 33 ARG HB2 H 1.624 0 . 290 33 33 ARG HB3 H 0.578 0 . 291 33 33 ARG HG2 H 1.47 0 . 292 33 33 ARG HG3 H 1.47 0 . 293 33 33 ARG HD2 H 2.922 0.01 . 294 33 33 ARG HD3 H 2.772 0.004 . 295 33 33 ARG C C 169.8 0.004 . 296 33 33 ARG CA C 59.674 0.048 . 297 33 33 ARG CB C 28.313 0.055 . 298 33 33 ARG CG C 26.696 0.084 . 299 33 33 ARG N N 119.61 0.008 . 300 34 34 TYR H H 7.914 0.016 . 301 34 34 TYR HA H 4.506 0.012 . 302 34 34 TYR HB2 H 3.292 0.013 . 303 34 34 TYR HB3 H 2.934 0.014 . 304 34 34 TYR HD1 H 7.137 0.013 . 305 34 34 TYR HD2 H 7.137 0.013 . 306 34 34 TYR C C 172.611 -0.012 . 307 34 34 TYR CA C 59.226 0.274 . 308 34 34 TYR CB C 36.953 0.327 . 309 34 34 TYR N N 118.631 0.083 . 310 35 35 ALA H H 7.878 0 . 311 35 35 ALA HA H 4.168 0.006 . 312 35 35 ALA HB H 1.236 0.006 . 313 35 35 ALA C C 168.372 -3.99 . 314 35 35 ALA CA C 54.676 0.129 . 315 35 35 ALA CB C 16.992 0.239 . 316 35 35 ALA N N 122.364 0.015 . 317 36 36 CYS H H 7.872 0.019 . 318 36 36 CYS HA H 4.558 0.012 . 319 36 36 CYS HB2 H 2.887 0.011 . 320 36 36 CYS HB3 H 2.589 0.009 . 321 36 36 CYS C C 172.564 -0.003 . 322 36 36 CYS CA C 55.404 0.284 . 323 36 36 CYS CB C 36.148 0.004 . 324 36 36 CYS N N 114.073 0.05 . 325 37 37 ASP H H 8.043 0.006 . 326 37 37 ASP HA H 4.755 0.008 . 327 37 37 ASP HB2 H 2.93 0.024 . 328 37 37 ASP HB3 H 2.856 0.005 . 329 37 37 ASP C C 169.277 0 . 330 37 37 ASP CA C 57.489 0.189 . 331 37 37 ASP CB C 40.635 0.258 . 332 38 38 ASP H H 8.514 0.004 . 333 38 38 ASP HA H 4.527 0.006 . 334 38 38 ASP HB2 H 2.776 0.011 . 335 38 38 ASP HB3 H 2.776 0.011 . 336 38 38 ASP C C 172.694 0.046 . 337 38 38 ASP CA C 56.569 0.103 . 338 38 38 ASP CB C 40.453 0 . 339 38 38 ASP N N 120.291 0.081 . 340 39 39 MET H H 7.428 0.008 . 341 39 39 MET HA H 4.696 0.005 . 342 39 39 MET HB2 H 2.666 0.007 . 343 39 39 MET HB3 H 2.666 0.007 . 344 39 39 MET HG2 H 2.15 0.017 . 345 39 39 MET HG3 H 2.15 0.017 . 346 39 39 MET C C 175.792 0.021 . 347 39 39 MET CA C 54.603 0 . 348 39 39 MET CB C 31.553 0.226 . 349 39 39 MET CG C 29.912 0.023 . 350 39 39 MET N N 116.815 0.109 . 351 40 40 GLU H H 8.074 0.011 . 352 40 40 GLU HA H 4.048 0.007 . 353 40 40 GLU HB2 H 2.217 0.004 . 354 40 40 GLU HB3 H 2.217 0.004 . 355 40 40 GLU HG2 H 2.214 0.009 . 356 40 40 GLU HG3 H 2.214 0.009 . 357 40 40 GLU C C 174.654 0.019 . 358 40 40 GLU CA C 57.433 0.249 . 359 40 40 GLU CB C 26.68 0.01 . 360 40 40 GLU CG C 37.413 0.5 . 361 40 40 GLU N N 112.921 0.09 . 362 41 41 GLY H H 8.061 0.014 . 363 41 41 GLY HA2 H 4.957 0.008 . 364 41 41 GLY HA3 H 3.649 0.004 . 365 41 41 GLY C C 177.948 0.113 . 366 41 41 GLY CA C 44.607 0.146 . 367 41 41 GLY N N 105.816 0.113 . 368 42 42 GLN H H 8.998 0.012 . 369 42 42 GLN HA H 5.094 0.008 . 370 42 42 GLN HB2 H 2.247 0.01 . 371 42 42 GLN HB3 H 2.047 0.013 . 372 42 42 GLN HG2 H 2.452 0.01 . 373 42 42 GLN HG3 H 2.452 0.01 . 374 42 42 GLN HE21 H 7.903 0.019 . 375 42 42 GLN HE22 H 6.646 0.014 . 376 42 42 GLN C C 174.521 0.039 . 377 42 42 GLN CA C 53.853 0.209 . 378 42 42 GLN CB C 32.916 0.321 . 379 42 42 GLN CG C 33.857 0.115 . 380 42 42 GLN N N 116.419 0.091 . 381 42 42 GLN NE2 N 112.011 0.092 . 382 43 43 LEU H H 8.592 0.015 . 383 43 43 LEU HA H 4.943 0.009 . 384 43 43 LEU HB2 H 1.454 0.019 . 385 43 43 LEU HB3 H 1.377 0.015 . 386 43 43 LEU HG H 0.638 0.006 . 387 43 43 LEU HD1 H 0.286 0.017 . 388 43 43 LEU HD2 H 0.243 0.018 . 389 43 43 LEU C C 172.194 0.051 . 390 43 43 LEU CA C 56.728 0.317 . 391 43 43 LEU CB C 44.211 0.076 . 392 43 43 LEU CG C 24.979 0.237 . 393 43 43 LEU CD1 C 25.176 0.06 . 394 43 43 LEU CD2 C 25.2 0.02 . 395 43 43 LEU N N 124.969 0.075 . 396 44 44 VAL H H 8.41 0.078 . 397 44 44 VAL HA H 4.018 0.008 . 398 44 44 VAL HB H 1.869 0.008 . 399 44 44 VAL HG1 H 1.342 0.01 . 400 44 44 VAL HG2 H 1.12 0.009 . 401 44 44 VAL C C 177.299 0.13 . 402 44 44 VAL CA C 61.475 0.266 . 403 44 44 VAL CB C 33.373 0.416 . 404 44 44 VAL CG1 C 22.432 0.066 . 405 44 44 VAL CG2 C 22.528 0.084 . 406 44 44 VAL N N 120.789 0.162 . 407 45 45 SER H H 8.052 0.014 . 408 45 45 SER HA H 4.37 0.007 . 409 45 45 SER HB2 H 3.242 0.008 . 410 45 45 SER HB3 H 2.811 0.012 . 411 45 45 SER C C 177.795 0.073 . 412 45 45 SER CA C 56.468 0.288 . 413 45 45 SER CB C 65.049 0.31 . 414 45 45 SER N N 120.786 0.057 . 415 46 46 ILE H H 3.484 0.011 . 416 46 46 ILE HA H 4.074 0.018 . 417 46 46 ILE HB H 1.972 0.011 . 418 46 46 ILE HG12 H 1.273 0.009 . 419 46 46 ILE HG13 H 0.663 0.007 . 420 46 46 ILE HG2 H 1.137 0.01 . 421 46 46 ILE HD1 H 1.137 0.01 . 422 46 46 ILE C C 174.131 0.013 . 423 46 46 ILE CA C 60.789 0.246 . 424 46 46 ILE CB C 38.959 0.3 . 425 46 46 ILE CG1 C 14.848 0.012 . 426 46 46 ILE CG2 C 18.054 0.093 . 427 46 46 ILE N N 117.834 0.047 . 428 47 47 HIS H H 8.774 0.013 . 429 47 47 HIS HA H 5.23 0.008 . 430 47 47 HIS HB2 H 2.988 0.017 . 431 47 47 HIS HB3 H 2.988 0.017 . 432 47 47 HIS C C 176.929 0 . 433 47 47 HIS CA C 55.653 0.114 . 434 47 47 HIS CB C 31.084 0.075 . 435 47 47 HIS N N 120.905 0.103 . 436 48 48 SER H H 7.181 0.021 . 437 48 48 SER HA H 4.715 0.015 . 438 48 48 SER HB2 H 4.36 0.004 . 439 48 48 SER HB3 H 4.134 0.004 . 440 48 48 SER CB C 63.965 0.16 . 441 48 48 SER N N 111.799 0.113 . 442 49 49 PRO HA H 4.407 0.023 . 443 49 49 PRO HB2 H 2.291 0.012 . 444 49 49 PRO HB3 H 1.962 0.022 . 445 49 49 PRO HG2 H 1.989 0.023 . 446 49 49 PRO HG3 H 1.989 0.023 . 447 49 49 PRO HD2 H 3.582 0.013 . 448 49 49 PRO HD3 H 3.582 0.013 . 449 49 49 PRO C C 171.013 0 . 450 49 49 PRO CA C 63.46 0.495 . 451 49 49 PRO CB C 31.293 0.14 . 452 49 49 PRO CG C 27.836 0.229 . 453 49 49 PRO CD C 50.572 0.272 . 454 50 50 GLU H H 8.88 0.015 . 455 50 50 GLU HA H 4.157 0.01 . 456 50 50 GLU HB2 H 2.296 0.009 . 457 50 50 GLU HB3 H 2.196 0.008 . 458 50 50 GLU HG2 H 2.695 0.006 . 459 50 50 GLU HG3 H 2.425 0.01 . 460 50 50 GLU C C 170.454 -0.014 . 461 50 50 GLU CA C 60.613 0.121 . 462 50 50 GLU CB C 28.237 0.265 . 463 50 50 GLU CG C 37.124 0.027 . 464 50 50 GLU N N 118.771 0.125 . 465 51 51 GLU H H 7.82 0.017 . 466 51 51 GLU HA H 3.922 0.012 . 467 51 51 GLU HB2 H 2.139 0.033 . 468 51 51 GLU HB3 H 2.139 0.033 . 469 51 51 GLU HG2 H 2.415 0.013 . 470 51 51 GLU HG3 H 2.415 0.013 . 471 51 51 GLU C C 172.388 -0.002 . 472 51 51 GLU CA C 59.209 0.241 . 473 51 51 GLU CB C 28.547 0 . 474 51 51 GLU CG C 36.085 0.084 . 475 51 51 GLU N N 121.457 0.07 . 476 52 52 GLN H H 7.718 0.014 . 477 52 52 GLN HA H 4.048 0.009 . 478 52 52 GLN HB2 H 2.276 0.031 . 479 52 52 GLN HB3 H 2.276 0.031 . 480 52 52 GLN HG2 H 2.858 0.016 . 481 52 52 GLN HG3 H 2.192 0.02 . 482 52 52 GLN HE21 H 7.091 0.015 . 483 52 52 GLN HE22 H 6.483 0.014 . 484 52 52 GLN C C 172.182 0.003 . 485 52 52 GLN CA C 58.518 0.067 . 486 52 52 GLN CB C 29.641 0 . 487 52 52 GLN CG C 34.086 0.237 . 488 52 52 GLN N N 118.067 0.08 . 489 52 52 GLN NE2 N 115.2 0.091 . 490 53 53 ASP H H 8.553 0.013 . 491 53 53 ASP HA H 4.34 0.008 . 492 53 53 ASP HB2 H 2.757 0.004 . 493 53 53 ASP HB3 H 2.637 0.007 . 494 53 53 ASP C C 171.5 0.001 . 495 53 53 ASP CA C 57.398 0.063 . 496 53 53 ASP CB C 40.936 0.063 . 497 53 53 ASP N N 119.659 0.06 . 498 54 54 PHE H H 7.335 0.013 . 499 54 54 PHE HA H 3.93 0.007 . 500 54 54 PHE HB2 H 2.406 0.011 . 501 54 54 PHE HB3 H 1.992 0.008 . 502 54 54 PHE HD1 H 6.71 0.017 . 503 54 54 PHE HD2 H 6.695 0.002 . 504 54 54 PHE HE1 H 7.047 0.021 . 505 54 54 PHE HE2 H 7.047 0.021 . 506 54 54 PHE C C 173.225 0.069 . 507 54 54 PHE CA C 61.143 0.136 . 508 54 54 PHE CB C 37.721 0.012 . 509 54 54 PHE N N 120.507 0.076 . 510 55 55 LEU H H 7.988 0.013 . 511 55 55 LEU HA H 3.621 0.011 . 512 55 55 LEU HB2 H 2.204 0.018 . 513 55 55 LEU HB3 H 1.197 0.008 . 514 55 55 LEU HG H 2.017 0.018 . 515 55 55 LEU HD1 H 0.973 0.005 . 516 55 55 LEU HD2 H 0.94 0.008 . 517 55 55 LEU C C 170.284 -0.007 . 518 55 55 LEU CA C 57.949 0.079 . 519 55 55 LEU CB C 41.877 0.05 . 520 55 55 LEU CG C 27.03 0.27 . 521 55 55 LEU CD1 C 27.796 0.033 . 522 55 55 LEU CD2 C 24.538 0.024 . 523 55 55 LEU N N 119.951 0.081 . 524 56 56 THR H H 8.961 0.013 . 525 56 56 THR HA H 3.62 0.008 . 526 56 56 THR HB H 4.242 0.011 . 527 56 56 THR HG1 H 5.196 0.007 . 528 56 56 THR HG2 H 1.111 0.012 . 529 56 56 THR C C 173.787 0.006 . 530 56 56 THR CA C 65.831 0.252 . 531 56 56 THR CB C 68.259 0.061 . 532 56 56 THR CG2 C 22.913 0 . 533 56 56 THR N N 115.848 0.079 . 534 57 57 LYS H H 7.237 0.014 . 535 57 57 LYS HA H 3.802 0.023 . 536 57 57 LYS HB2 H 1.542 0.01 . 537 57 57 LYS HB3 H 1.386 0.017 . 538 57 57 LYS HG2 H 1.328 0.018 . 539 57 57 LYS HG3 H 1.092 0.034 . 540 57 57 LYS HD2 H 1.535 0 . 541 57 57 LYS HD3 H 1.512 0.007 . 542 57 57 LYS HE2 H 2.895 0.011 . 543 57 57 LYS HE3 H 2.895 0.011 . 544 57 57 LYS C C 173.015 0.015 . 545 57 57 LYS CA C 58.666 0.112 . 546 57 57 LYS CB C 31.8 0 . 547 57 57 LYS CG C 25 0 . 548 57 57 LYS CD C 29 0 . 549 57 57 LYS CE C 42 0 . 550 57 57 LYS N N 118.583 0.047 . 551 58 58 HIS H H 6.722 0.014 . 552 58 58 HIS HA H 4.056 0.006 . 553 58 58 HIS HB2 H 1.763 0.019 . 554 58 58 HIS HB3 H 1.49 0.034 . 555 58 58 HIS C C 175.977 0.056 . 556 58 58 HIS CA C 55.793 0.099 . 557 58 58 HIS CB C 30.998 0.291 . 558 58 58 HIS N N 115.1 0.073 . 559 59 59 ALA H H 7.344 0.019 . 560 59 59 ALA HA H 4.192 0.01 . 561 59 59 ALA HB H 1.444 0.006 . 562 59 59 ALA CA C 52.525 0.053 . 563 59 59 ALA CB C 19.051 0.087 . 564 59 59 ALA N N 122.757 0.095 . 565 60 60 SER H H 8.633 0.024 . 566 60 60 SER N N 114.392 0.07 . 567 62 62 THR C C 174.769 0 . 568 63 63 GLY H H 7.059 0.015 . 569 63 63 GLY HA2 H 4.3 0.072 . 570 63 63 GLY HA3 H 4.14 0.013 . 571 63 63 GLY C C 177.101 0 . 572 63 63 GLY CA C 44.784 0 . 573 63 63 GLY N N 109.216 0.037 . 574 64 64 SER H H 8.527 0.012 . 575 64 64 SER HA H 5.18 0.012 . 576 64 64 SER HB2 H 3.701 0.01 . 577 64 64 SER HB3 H 3.499 0.015 . 578 64 64 SER C C 175.541 0.078 . 579 64 64 SER CA C 56.257 0.135 . 580 64 64 SER CB C 66.487 0.276 . 581 64 64 SER N N 114.055 0.069 . 582 65 65 TRP H H 8.355 0.017 . 583 65 65 TRP HA H 5.489 0.014 . 584 65 65 TRP HB2 H 3.613 0.014 . 585 65 65 TRP HB3 H 3.179 0.02 . 586 65 65 TRP HD1 H 8.475 0.014 . 587 65 65 TRP HE1 H 10.32 0.012 . 588 65 65 TRP HE3 H 6.993 0.012 . 589 65 65 TRP HZ2 H 8.571 0.015 . 590 65 65 TRP C C 174.412 0.008 . 591 65 65 TRP CA C 57.766 0.336 . 592 65 65 TRP CB C 32.201 0.141 . 593 65 65 TRP N N 124.335 0.128 . 594 65 65 TRP NE1 N 129.354 0.008 . 595 66 66 ILE H H 8.17 0.023 . 596 66 66 ILE HA H 5.205 0.008 . 597 66 66 ILE HB H 2.099 0.011 . 598 66 66 ILE HG12 H 1.117 0.008 . 599 66 66 ILE HG13 H 0.957 0.024 . 600 66 66 ILE HG2 H 0.978 0.012 . 601 66 66 ILE HD1 H -0.066 0.012 . 602 66 66 ILE C C 174.363 -0.041 . 603 66 66 ILE CA C 59.204 0.347 . 604 66 66 ILE CB C 42.285 0 . 605 66 66 ILE CG1 C 25.231 0.079 . 606 66 66 ILE CG2 C 18.201 0.059 . 607 66 66 ILE CD1 C 12.804 0.021 . 608 66 66 ILE N N 110.173 0.091 . 609 67 67 GLY H H 9.536 0.023 . 610 67 67 GLY HA2 H 4.456 0.01 . 611 67 67 GLY HA3 H 4.004 0.009 . 612 67 67 GLY C C 177.424 0.057 . 613 67 67 GLY CA C 49.483 0.237 . 614 67 67 GLY N N 110.026 0.105 . 615 68 68 LEU H H 7.377 0.014 . 616 68 68 LEU HA H 4.471 0.01 . 617 68 68 LEU HB2 H 0.878 0.012 . 618 68 68 LEU HB3 H 0.006 0.009 . 619 68 68 LEU HG H 0.859 0.012 . 620 68 68 LEU HD1 H -0.24 0.01 . 621 68 68 LEU HD2 H -0.573 0.009 . 622 68 68 LEU C C 177.019 0.03 . 623 68 68 LEU CA C 53.417 0.257 . 624 68 68 LEU CB C 43.794 0.005 . 625 68 68 LEU CG C 25.718 0.039 . 626 68 68 LEU CD1 C 25.681 0.067 . 627 68 68 LEU CD2 C 21.497 0.071 . 628 68 68 LEU N N 125.309 0.159 . 629 69 69 ARG H H 7.585 0.011 . 630 69 69 ARG HA H 5.024 0.029 . 631 69 69 ARG HB2 H 1.485 0.021 . 632 69 69 ARG HB3 H 1.263 0.012 . 633 69 69 ARG HG2 H 1.253 0.018 . 634 69 69 ARG HG3 H 1.16 0.004 . 635 69 69 ARG HD2 H 2.827 0.014 . 636 69 69 ARG HD3 H 2.383 0.012 . 637 69 69 ARG C C 176.123 0.064 . 638 69 69 ARG CA C 54.659 0 . 639 69 69 ARG CB C 32.319 0.301 . 640 69 69 ARG CG C 26.583 0.003 . 641 69 69 ARG CD C 43.327 0 . 642 69 69 ARG N N 120.324 0.078 . 643 70 70 ASN H H 8.856 0.031 . 644 70 70 ASN HA H 4.237 0.014 . 645 70 70 ASN HB2 H 2.412 0.014 . 646 70 70 ASN HB3 H 1.655 0.02 . 647 70 70 ASN HD21 H 6.74 0.008 . 648 70 70 ASN HD22 H 6.275 0.004 . 649 70 70 ASN C C 175.356 0.051 . 650 70 70 ASN CA C 52.123 0.306 . 651 70 70 ASN CB C 37.555 0.318 . 652 70 70 ASN N N 122.302 0.102 . 653 70 70 ASN ND2 N 108.521 0.016 . 654 71 71 LEU H H 7.829 0.009 . 655 71 71 LEU HA H 4.26 0.018 . 656 71 71 LEU HB2 H 1.785 0.004 . 657 71 71 LEU HB3 H 1.443 0.007 . 658 71 71 LEU HG H 1.568 0.014 . 659 71 71 LEU HD1 H 0.942 0.002 . 660 71 71 LEU HD2 H 0.902 0.013 . 661 71 71 LEU CA C 54.953 0 . 662 71 71 LEU CB C 42.929 0.259 . 663 71 71 LEU CG C 26.998 0 . 664 71 71 LEU CD1 C 24.811 0 . 665 71 71 LEU CD2 C 24.811 0 . 666 71 71 LEU N N 127.365 0.129 . 667 73 73 LEU HA H 3.911 0.013 . 668 73 73 LEU HB2 H 1.834 0.009 . 669 73 73 LEU HB3 H 1.62 0.005 . 670 73 73 LEU HG H 1.608 0.014 . 671 73 73 LEU HD1 H 0.944 0.005 . 672 73 73 LEU HD2 H 0.871 0.006 . 673 73 73 LEU C C 172.104 0 . 674 73 73 LEU CA C 56.04 0.013 . 675 73 73 LEU CB C 40.671 0 . 676 73 73 LEU CG C 27.545 0 . 677 73 73 LEU CD1 C 24.811 0 . 678 73 73 LEU CD2 C 23.471 0 . 679 74 74 LYS H H 7.761 0.01 . 680 74 74 LYS HA H 4.37 0.009 . 681 74 74 LYS HB2 H 2.002 0.008 . 682 74 74 LYS HB3 H 1.839 0.011 . 683 74 74 LYS HG2 H 1.522 0.003 . 684 74 74 LYS HG3 H 1.439 0.008 . 685 74 74 LYS HD2 H 1.737 0.023 . 686 74 74 LYS HD3 H 1.737 0.023 . 687 74 74 LYS HE2 H 3.052 0.01 . 688 74 74 LYS HE3 H 3.052 0.01 . 689 74 74 LYS C C 172.461 0.089 . 690 74 74 LYS CA C 56.217 0 . 691 74 74 LYS CB C 32.8 0 . 692 74 74 LYS CG C 24.96 0.088 . 693 74 74 LYS CD C 28.853 0.012 . 694 74 74 LYS CE C 42.124 0.031 . 695 74 74 LYS N N 116.804 0.077 . 696 75 75 GLY H H 8.569 0.015 . 697 75 75 GLY HA2 H 4.114 0.018 . 698 75 75 GLY HA3 H 3.641 0.008 . 699 75 75 GLY C C 176.568 0.092 . 700 75 75 GLY CA C 45.988 0 . 701 75 75 GLY N N 108.71 0.102 . 702 76 76 GLU H H 7.454 0.007 . 703 76 76 GLU HA H 4.634 0.014 . 704 76 76 GLU HB2 H 2.05 0.009 . 705 76 76 GLU HB3 H 1.858 0.007 . 706 76 76 GLU HG2 H 2.258 0.005 . 707 76 76 GLU HG3 H 2.258 0.005 . 708 76 76 GLU C C 174.742 0.015 . 709 76 76 GLU CA C 54.929 0 . 710 76 76 GLU CB C 32.487 0 . 711 76 76 GLU N N 118.655 0.11 . 712 77 77 PHE H H 8.663 0.006 . 713 77 77 PHE HA H 4.621 0.033 . 714 77 77 PHE HB2 H 3.02 0.011 . 715 77 77 PHE HB3 H 2.624 0.014 . 716 77 77 PHE HD1 H 7.076 0.011 . 717 77 77 PHE HD2 H 7.076 0.011 . 718 77 77 PHE C C 176.169 0.053 . 719 77 77 PHE CA C 58.878 0 . 720 77 77 PHE CB C 38.735 0.166 . 721 77 77 PHE N N 122.953 0.068 . 722 78 78 ILE H H 8.477 0.016 . 723 78 78 ILE HA H 4.471 0.009 . 724 78 78 ILE HB H 1.72 0.011 . 725 78 78 ILE HG12 H 1.459 0.009 . 726 78 78 ILE HG13 H 1.257 0.013 . 727 78 78 ILE HG2 H 1.045 0.016 . 728 78 78 ILE HD1 H 0.75 0.023 . 729 78 78 ILE C C 173.035 0.018 . 730 78 78 ILE CA C 59.312 0 . 731 78 78 ILE CB C 41.777 0.05 . 732 78 78 ILE CG1 C 27.579 0 . 733 78 78 ILE CG2 C 16.641 0 . 734 78 78 ILE CD1 C 11.712 0 . 735 78 78 ILE N N 123.384 0.077 . 736 79 79 TRP H H 8.706 0.015 . 737 79 79 TRP HA H 5.42 0.009 . 738 79 79 TRP HB2 H 3.714 0.016 . 739 79 79 TRP HB3 H 3.586 0.011 . 740 79 79 TRP HD1 H 7.813 0.014 . 741 79 79 TRP HE1 H 10.177 0.014 . 742 79 79 TRP C C 168.679 -4.022 . 743 79 79 TRP CA C 57.187 0.102 . 744 79 79 TRP CB C 30.532 0.065 . 745 79 79 TRP N N 129.91 0.077 . 746 79 79 TRP NE1 N 129.259 0.051 . 747 80 80 VAL H H 9.081 0.015 . 748 80 80 VAL HA H 4.147 0.006 . 749 80 80 VAL HB H 2.549 0.007 . 750 80 80 VAL HG1 H 1.366 0.002 . 751 80 80 VAL HG2 H 1.339 0.003 . 752 80 80 VAL C C 173.521 0.022 . 753 80 80 VAL CA C 65.364 0.155 . 754 80 80 VAL CB C 32.12 0.044 . 755 80 80 VAL CG1 C 21.377 0.05 . 756 80 80 VAL CG2 C 22.995 0 . 757 80 80 VAL N N 117.284 0.111 . 758 81 81 ASP H H 7.771 0.009 . 759 81 81 ASP HA H 4.694 0.007 . 760 81 81 ASP HB2 H 3.213 0.005 . 761 81 81 ASP HB3 H 2.826 0.008 . 762 81 81 ASP C C 172.729 0.02 . 763 81 81 ASP CA C 54.431 0 . 764 81 81 ASP CB C 40.022 0 . 765 81 81 ASP N N 118.308 0.064 . 766 82 82 GLY H H 8.795 0.015 . 767 82 82 GLY HA2 H 4.44 0.007 . 768 82 82 GLY HA3 H 3.708 0.008 . 769 82 82 GLY C C 175.776 0.016 . 770 82 82 GLY CA C 44.959 0.064 . 771 82 82 GLY N N 109.768 0.067 . 772 83 83 SER H H 8.532 0.011 . 773 83 83 SER HA H 4.371 0.131 . 774 83 83 SER HB2 H 4.139 0.014 . 775 83 83 SER HB3 H 4.139 0.014 . 776 83 83 SER C C 176.746 0.07 . 777 83 83 SER CA C 57.791 0 . 778 83 83 SER CB C 65.025 0 . 779 83 83 SER N N 117.82 0.078 . 780 84 84 HIS H H 8.478 0.01 . 781 84 84 HIS HA H 5.074 0.008 . 782 84 84 HIS HB2 H 3.494 0.046 . 783 84 84 HIS HB3 H 3.325 0.017 . 784 84 84 HIS C C 173.627 -0.013 . 785 84 84 HIS CA C 55.604 0 . 786 84 84 HIS CB C 30.982 0.381 . 787 84 84 HIS N N 117.893 0.133 . 788 85 85 VAL H H 9.104 0.012 . 789 85 85 VAL HA H 4.605 0.013 . 790 85 85 VAL HB H 2.399 0.007 . 791 85 85 VAL HG1 H 1.241 0.011 . 792 85 85 VAL HG2 H 1.043 0.009 . 793 85 85 VAL C C 173.724 -0.011 . 794 85 85 VAL CA C 63.793 0.035 . 795 85 85 VAL CB C 31.748 0.143 . 796 85 85 VAL CG1 C 21.592 0 . 797 85 85 VAL CG2 C 23.746 0.046 . 798 85 85 VAL N N 121.31 0.035 . 799 86 86 ASP H H 9.064 0.009 . 800 86 86 ASP HA H 4.94 0.008 . 801 86 86 ASP HB2 H 3.214 0.01 . 802 86 86 ASP HB3 H 2.982 0.012 . 803 86 86 ASP C C 174.342 0.006 . 804 86 86 ASP CA C 54.24 0 . 805 86 86 ASP CB C 40.249 0 . 806 86 86 ASP N N 128.873 0.048 . 807 87 87 TYR H H 9.877 0.014 . 808 87 87 TYR HA H 4.462 0.013 . 809 87 87 TYR HB2 H 3.229 0.013 . 810 87 87 TYR HB3 H 2.595 0.01 . 811 87 87 TYR HD1 H 7.045 0.006 . 812 87 87 TYR HD2 H 7.045 0.006 . 813 87 87 TYR C C 175.857 0.013 . 814 87 87 TYR CA C 59.163 0 . 815 87 87 TYR CB C 39.891 0.151 . 816 87 87 TYR N N 125.177 0.094 . 817 88 88 SER H H 7.186 0.013 . 818 88 88 SER HA H 4.223 0.008 . 819 88 88 SER HB2 H 3.537 0.013 . 820 88 88 SER HB3 H 3.169 0.01 . 821 88 88 SER C C 179.18 0.01 . 822 88 88 SER CA C 56.253 0 . 823 88 88 SER CB C 65.974 0.356 . 824 88 88 SER N N 118.77 0.057 . 825 89 89 ASN H H 2.638 0.011 . 826 89 89 ASN HA H 4.42 0.011 . 827 89 89 ASN HB2 H 1.766 0.01 . 828 89 89 ASN HB3 H 0.824 0.008 . 829 89 89 ASN HD21 H 7.078 0.017 . 830 89 89 ASN HD22 H 6.093 0.014 . 831 89 89 ASN C C 175.956 0.042 . 832 89 89 ASN CA C 49.992 0.264 . 833 89 89 ASN CB C 38.807 0.094 . 834 89 89 ASN N N 115.192 0.042 . 835 89 89 ASN ND2 N 112.024 0.167 . 836 90 90 TRP H H 7.44 0.008 . 837 90 90 TRP HA H 4.342 0.016 . 838 90 90 TRP HB2 H 2.797 0.007 . 839 90 90 TRP HB3 H 2.797 0.007 . 840 90 90 TRP HD1 H 7.188 0.008 . 841 90 90 TRP HE1 H 10.231 0.011 . 842 90 90 TRP C C 172.492 0.026 . 843 90 90 TRP CA C 57.898 0 . 844 90 90 TRP CB C 30.135 0.226 . 845 90 90 TRP N N 120.373 0.044 . 846 90 90 TRP NE1 N 127.925 0.116 . 847 91 91 ALA H H 9.417 0.016 . 848 91 91 ALA HA H 4.29 0.004 . 849 91 91 ALA HB H 1.402 0.005 . 850 91 91 ALA CA C 50.547 0.116 . 851 91 91 ALA CB C 16.956 0.013 . 852 91 91 ALA N N 126.195 0.063 . 853 93 93 GLY HA2 H 4.197 0.004 . 854 93 93 GLY HA3 H 3.682 0.011 . 855 93 93 GLY C C 177.059 0 . 856 93 93 GLY CA C 45.689 0.077 . 857 94 94 GLU H H 7.958 0.02 . 858 94 94 GLU N N 119.328 0.034 . 859 96 96 THR HA H 4.2 0.007 . 860 96 96 THR HB H 4.331 0.003 . 861 96 96 THR HG2 H 1.316 0.019 . 862 96 96 THR CA C 63.353 0 . 863 96 96 THR CB C 70.091 0.018 . 864 96 96 THR CG2 C 22.59 0 . 865 103 103 ASP HA H 4.864 0.019 . 866 103 103 ASP HB2 H 2.851 0.013 . 867 103 103 ASP HB3 H 2.652 0.005 . 868 103 103 ASP C C 174.236 0 . 869 103 103 ASP CA C 55.263 0.022 . 870 103 103 ASP CB C 43.42 0 . 871 104 104 CYS H H 8.478 0.009 . 872 104 104 CYS HA H 4.603 0.01 . 873 104 104 CYS HB2 H 2.697 0.017 . 874 104 104 CYS HB3 H 2.486 0.012 . 875 104 104 CYS C C 177.646 0.067 . 876 104 104 CYS CA C 59.851 0 . 877 104 104 CYS CB C 46.835 0 . 878 104 104 CYS N N 118.152 0.098 . 879 105 105 VAL H H 7.473 0.016 . 880 105 105 VAL HA H 4.927 0.009 . 881 105 105 VAL HB H 1.853 0.015 . 882 105 105 VAL HG1 H 0.682 0.007 . 883 105 105 VAL HG2 H 0.626 0.004 . 884 105 105 VAL C C 177.513 0.063 . 885 105 105 VAL CA C 62.834 0.302 . 886 105 105 VAL CB C 33.463 0.189 . 887 105 105 VAL CG1 C 23.553 0.302 . 888 105 105 VAL CG2 C 22.44 0.102 . 889 105 105 VAL N N 119.988 0.097 . 890 106 106 MET H H 8.797 0.009 . 891 106 106 MET HA H 5.535 0.011 . 892 106 106 MET HB2 H 1.654 0.015 . 893 106 106 MET HB3 H 1.654 0.015 . 894 106 106 MET HG2 H 2.401 0.004 . 895 106 106 MET HG3 H 2.317 0.026 . 896 106 106 MET C C 176.792 0.001 . 897 106 106 MET CA C 52.348 0.015 . 898 106 106 MET CB C 36.397 0.043 . 899 106 106 MET CG C 30.92 0.077 . 900 106 106 MET N N 120.871 0.064 . 901 107 107 MET H H 9.442 0.015 . 902 107 107 MET HA H 5.077 0.007 . 903 107 107 MET HB2 H 2.099 0.014 . 904 107 107 MET HB3 H 1.862 0.011 . 905 107 107 MET HG2 H 2.816 0.006 . 906 107 107 MET HG3 H 2.661 0.017 . 907 107 107 MET C C 173.306 -0.003 . 908 107 107 MET CA C 54.014 0 . 909 107 107 MET CB C 36.96 0.007 . 910 107 107 MET CG C 31.151 0.078 . 911 107 107 MET N N 119.631 0.073 . 912 108 108 ARG H H 9.106 0.014 . 913 108 108 ARG HA H 4.375 0 . 914 108 108 ARG N N 125.16 0.102 . 915 110 110 SER HA H 4.624 0.011 . 916 110 110 SER HB2 H 4.316 0.01 . 917 110 110 SER HB3 H 4.127 0.01 . 918 110 110 SER C C 174.495 0 . 919 110 110 SER CA C 58.637 0 . 920 110 110 SER CB C 64.993 0 . 921 111 111 GLY H H 8.298 0.016 . 922 111 111 GLY HA2 H 4.571 0.011 . 923 111 111 GLY HA3 H 3.541 0.017 . 924 111 111 GLY C C 177.307 0.079 . 925 111 111 GLY CA C 45.634 0 . 926 111 111 GLY N N 112.048 0.071 . 927 112 112 ARG H H 7.272 0.017 . 928 112 112 ARG HA H 4.541 0.01 . 929 112 112 ARG HB2 H 1.759 0.006 . 930 112 112 ARG HB3 H 1.575 0.009 . 931 112 112 ARG HG2 H 1.684 0.012 . 932 112 112 ARG HG3 H 1.492 0.004 . 933 112 112 ARG HD2 H 3.042 0.007 . 934 112 112 ARG HD3 H 2.925 0.009 . 935 112 112 ARG C C 172.784 -0.008 . 936 112 112 ARG CA C 55.663 0 . 937 112 112 ARG CB C 31.177 0.261 . 938 112 112 ARG CG C 27.225 0 . 939 112 112 ARG CD C 43.1 0.017 . 940 112 112 ARG N N 116.236 0.095 . 941 113 113 TRP H H 8.407 0.013 . 942 113 113 TRP HA H 5.881 0.011 . 943 113 113 TRP HB2 H 2.653 0.014 . 944 113 113 TRP HB3 H 2.653 0.014 . 945 113 113 TRP HD1 H 7.085 0.005 . 946 113 113 TRP HE1 H 10.944 0.014 . 947 113 113 TRP HZ2 H 6.091 0.009 . 948 113 113 TRP HH2 H 6.987 0.012 . 949 113 113 TRP C C 172.48 0.005 . 950 113 113 TRP CA C 53.276 0.064 . 951 113 113 TRP CB C 31.245 0 . 952 113 113 TRP N N 120.19 0.09 . 953 113 113 TRP NE1 N 130.068 0.068 . 954 114 114 ASN H H 9.217 0.011 . 955 114 114 ASN HA H 5.344 0.007 . 956 114 114 ASN HB2 H 2.978 0.011 . 957 114 114 ASN HB3 H 2.731 0.016 . 958 114 114 ASN HD21 H 7.355 0.001 . 959 114 114 ASN HD22 H 6.626 0.005 . 960 114 114 ASN C C 175.381 0.085 . 961 114 114 ASN CA C 53.797 0 . 962 114 114 ASN CB C 42.545 0 . 963 114 114 ASN N N 116.495 0.114 . 964 114 114 ASN ND2 N 109.887 0.045 . 965 115 115 ASP H H 9.245 0.009 . 966 115 115 ASP HA H 5.403 0.012 . 967 115 115 ASP HB2 H 3.314 0.01 . 968 115 115 ASP HB3 H 2.681 0.019 . 969 115 115 ASP C C 173.618 0 . 970 115 115 ASP CA C 53.627 0.512 . 971 115 115 ASP CB C 40.357 0 . 972 115 115 ASP N N 122.975 0.119 . 973 116 116 ALA H H 9.504 0.009 . 974 116 116 ALA HA H 4.779 0.005 . 975 116 116 ALA HB H 1.516 0.007 . 976 116 116 ALA C C 173.918 -0.001 . 977 116 116 ALA CA C 51.791 0.258 . 978 116 116 ALA CB C 23.117 0 . 979 116 116 ALA N N 126.949 0.065 . 980 117 117 PHE H H 8.463 0.018 . 981 117 117 PHE HA H 4.972 0.008 . 982 117 117 PHE HB2 H 3.674 0.005 . 983 117 117 PHE HB3 H 3.051 0.008 . 984 117 117 PHE HD1 H 7.516 0.005 . 985 117 117 PHE HD2 H 7.516 0.005 . 986 117 117 PHE C C 171.315 -0.013 . 987 117 117 PHE CA C 58.792 0.202 . 988 117 117 PHE CB C 38.77 0 . 989 117 117 PHE N N 119.346 0.082 . 990 118 118 CYS H H 9.011 0.014 . 991 118 118 CYS HA H 4.289 0.011 . 992 118 118 CYS HB2 H 3.221 0.005 . 993 118 118 CYS HB3 H 3.221 0.005 . 994 118 118 CYS C C 174.797 -0.024 . 995 118 118 CYS CA C 59.045 0 . 996 118 118 CYS CB C 44.967 0.258 . 997 118 118 CYS N N 120.456 0.069 . 998 119 119 ASP H H 8.599 0.023 . 999 119 119 ASP C C 173.917 0 . 1000 119 119 ASP CA C 53.475 0 . 1001 119 119 ASP CB C 39.242 0 . 1002 119 119 ASP N N 117.214 0.034 . 1003 120 120 ARG H H 7.926 0.015 . 1004 120 120 ARG HA H 4.369 0.013 . 1005 120 120 ARG HB2 H 2.293 0.011 . 1006 120 120 ARG HB3 H 2.293 0.011 . 1007 120 120 ARG HG2 H 2 0.008 . 1008 120 120 ARG HG3 H 1.871 0.004 . 1009 120 120 ARG HD2 H 3.51 0.01 . 1010 120 120 ARG HD3 H 3.13 0.01 . 1011 120 120 ARG C C 175.188 0.108 . 1012 120 120 ARG CA C 57.5 0 . 1013 120 120 ARG CB C 28.932 0.253 . 1014 120 120 ARG CG C 44.313 0 . 1015 120 120 ARG CD C 27.544 0 . 1016 120 120 ARG N N 122.574 0.06 . 1017 121 121 LYS H H 8.469 0.009 . 1018 121 121 LYS HA H 4.536 0.015 . 1019 121 121 LYS HB2 H 1.883 0.011 . 1020 121 121 LYS HB3 H 1.883 0.011 . 1021 121 121 LYS C C 173.683 0.01 . 1022 121 121 LYS CA C 56.682 0 . 1023 121 121 LYS CB C 32.045 0 . 1024 121 121 LYS N N 122.037 0.1 . 1025 122 122 LEU H H 7.995 0.033 . 1026 122 122 LEU HA H 4.787 0.011 . 1027 122 122 LEU HB2 H 1.391 0.02 . 1028 122 122 LEU HB3 H 1.391 0.02 . 1029 122 122 LEU HG H 0.968 0.031 . 1030 122 122 LEU HD1 H 0.517 0.012 . 1031 122 122 LEU HD2 H -0.374 0.007 . 1032 122 122 LEU CA C 53.066 0 . 1033 122 122 LEU CB C 45.669 0 . 1034 122 122 LEU CG C 27.14 0 . 1035 122 122 LEU CD1 C 22.902 0.049 . 1036 122 122 LEU CD2 C 24.341 0.036 . 1037 122 122 LEU N N 124.014 0.286 . 1038 123 123 GLY C C 174.937 -0.899 . 1039 123 123 GLY CA C 46.01 0 . 1040 124 124 ALA H H 7.352 0.021 . 1041 124 124 ALA HA H 4.938 0.009 . 1042 124 124 ALA HB H 1.598 0 . 1043 124 124 ALA C C 173.848 -0.014 . 1044 124 124 ALA CA C 51.456 0.002 . 1045 124 124 ALA CB C 23.169 0.227 . 1046 124 124 ALA N N 119.693 0.331 . 1047 125 125 TRP H H 6.981 0.01 . 1048 125 125 TRP HA H 5.191 0.006 . 1049 125 125 TRP HB2 H 3.826 0.011 . 1050 125 125 TRP HB3 H 3.826 0.011 . 1051 125 125 TRP HE1 H 9.819 0.003 . 1052 125 125 TRP C C 177.881 0.045 . 1053 125 125 TRP CA C 55.95 0 . 1054 125 125 TRP CB C 29.687 0 . 1055 125 125 TRP N N 116.734 0.038 . 1056 125 125 TRP NE1 N 130.157 0.002 . 1057 126 126 VAL H H 7.325 0.016 . 1058 126 126 VAL HA H 5.219 0 . 1059 126 126 VAL HB H 2.05 0.017 . 1060 126 126 VAL HG1 H 0.978 0.011 . 1061 126 126 VAL HG2 H 0.68 0.013 . 1062 126 126 VAL C C 174.924 0 . 1063 126 126 VAL CA C 60.346 0.527 . 1064 126 126 VAL CB C 35.208 0.092 . 1065 126 126 VAL CG1 C 21.641 0 . 1066 126 126 VAL CG2 C 20.561 0.054 . 1067 126 126 VAL N N 119.051 0.274 . 1068 127 127 CYS H H 9.151 0.013 . 1069 127 127 CYS HA H 6.041 0.008 . 1070 127 127 CYS HB2 H 3.317 0.017 . 1071 127 127 CYS HB3 H 2.491 0.009 . 1072 127 127 CYS C C 175.494 0.037 . 1073 127 127 CYS CA C 51.674 0.116 . 1074 127 127 CYS CB C 40.039 0.027 . 1075 127 127 CYS N N 123.523 0.083 . 1076 128 128 ASP H H 10.276 0.008 . 1077 128 128 ASP HA H 6.05 0.01 . 1078 128 128 ASP HB2 H 2.593 0.009 . 1079 128 128 ASP HB3 H 2.477 0.01 . 1080 128 128 ASP C C 175.07 0.01 . 1081 128 128 ASP CA C 52.768 0.084 . 1082 128 128 ASP CB C 46.087 0.271 . 1083 128 128 ASP N N 120.326 0.044 . 1084 129 129 ARG H H 8.04 0.014 . 1085 129 129 ARG C C 175.068 0 . 1086 129 129 ARG CA C 55.981 0 . 1087 129 129 ARG CB C 33.247 0 . 1088 129 129 ARG N N 110.637 0.05 . 1089 130 130 LEU H H 8.582 0.013 . 1090 130 130 LEU HA H 4.421 0.01 . 1091 130 130 LEU HB2 H 1.613 0.01 . 1092 130 130 LEU HB3 H 1.613 0.01 . 1093 130 130 LEU HG H 1.794 0.007 . 1094 130 130 LEU HD1 H 0.972 0.004 . 1095 130 130 LEU HD2 H 0.909 0.013 . 1096 130 130 LEU C C 172.369 -0.012 . 1097 130 130 LEU CA C 55.54 0.04 . 1098 130 130 LEU CB C 41.699 0.24 . 1099 130 130 LEU CG C 26.834 0.095 . 1100 130 130 LEU CD1 C 25.048 0 . 1101 130 130 LEU CD2 C 22.86 0.057 . 1102 130 130 LEU N N 121.388 0.08 . 1103 131 131 ALA H H 8.265 0.011 . 1104 131 131 ALA HA H 4.46 0.016 . 1105 131 131 ALA HB H 0.946 0.008 . 1106 131 131 ALA C C 171.987 -0.011 . 1107 131 131 ALA CA C 52.045 0.11 . 1108 131 131 ALA CB C 18.375 0.024 . 1109 131 131 ALA N N 124.735 0.059 . 1110 132 132 THR H H 8.702 0.01 . 1111 132 132 THR HA H 4.479 0.009 . 1112 132 132 THR HB H 4.196 0.007 . 1113 132 132 THR HG2 H 1.182 0.008 . 1114 132 132 THR C C 174.434 0 . 1115 132 132 THR CA C 61.644 0.302 . 1116 132 132 THR CB C 69.951 0 . 1117 132 132 THR CG2 C 21.745 0 . 1118 132 132 THR N N 114.561 0.049 . 1119 133 133 CYS H H 9.245 0.023 . 1120 133 133 CYS CA C 55.686 0 . 1121 133 133 CYS CB C 38.699 0 . 1122 133 133 CYS N N 125.299 0.041 . 1123 136 136 PRO C C 174.323 0 . 1124 136 136 PRO CA C 64.098 0 . 1125 136 136 PRO CB C 31.221 0 . 1126 137 137 ALA H H 7.853 0.018 . 1127 137 137 ALA HA H 4.15 0.002 . 1128 137 137 ALA HB H 1.368 0.002 . 1129 137 137 ALA CA C 53.59 0 . 1130 137 137 ALA CB C 20.3 0 . 1131 137 137 ALA N N 129.608 0.073 . 1132 138 138 SER C C 176.454 0 . 1133 138 138 SER CA C 58.365 0 . 1134 138 138 SER CB C 65.496 0 . 1135 139 139 GLU H H 7.989 0.015 . 1136 139 139 GLU C C 174.08 0 . 1137 139 139 GLU CA C 58.419 0 . 1138 139 139 GLU CB C 30.567 0 . 1139 139 139 GLU N N 127.539 0.072 . 1140 140 140 GLY H H 7.995 0.02 . 1141 140 140 GLY HA2 H 4.294 0.178 . 1142 140 140 GLY HA3 H 3.808 0.002 . 1143 140 140 GLY C C 176.584 0 . 1144 140 140 GLY CA C 45.968 0.083 . 1145 140 140 GLY N N 116.033 0.066 . 1146 141 141 SER H H 7.858 0.033 . 1147 141 141 SER CA C 60.435 0 . 1148 141 141 SER CB C 65.679 0 . 1149 141 141 SER N N 121.358 0.094 . 1150 142 142 ALA H H 7.344 0.019 . 1151 142 142 ALA C C 173.215 0 . 1152 142 142 ALA CA C 52.931 0 . 1153 142 142 ALA CB C 67.519 0 . 1154 143 143 GLU H H 7.919 0.017 . 1155 143 143 GLU CA C 58.444 0 . 1156 143 143 GLU CB C 30.782 0 . 1157 143 143 GLU N N 125.178 0.057 . stop_ save_ save_concentration_1 _Saveframe_category assigned_chemical_shifts _Details '1H15N chemical shifts at 300uM derCD23 concentration' loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name derCD23 _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 4 4 VAL H H 8.349 0.000 . 2 4 4 VAL N N 122.240 0.000 . 3 6 6 ASN H H 8.579 0.000 . 4 6 6 ASN N N 124.063 0.000 . 5 7 7 THR H H 8.047 0.000 . 6 7 7 THR N N 116.762 0.000 . 7 8 8 CYS H H 9.322 0.000 . 8 8 8 CYS N N 126.784 0.000 . 9 10 10 GLU H H 8.537 0.000 . 10 10 10 GLU N N 121.746 0.000 . 11 11 11 LYS H H 8.789 0.000 . 12 11 11 LYS N N 115.217 0.000 . 13 12 12 TRP H H 8.522 0.000 . 14 12 12 TRP HE1 H 10.444 0.000 . 15 12 12 TRP N N 119.761 0.000 . 16 12 12 TRP NE1 N 132.417 0.000 . 17 13 13 ILE H H 9.837 0.000 . 18 13 13 ILE N N 120.595 0.000 . 19 14 14 ASN H H 9.101 0.000 . 20 14 14 ASN HD21 H 7.203 0.000 . 21 14 14 ASN HD22 H 6.411 0.000 . 22 14 14 ASN N N 125.644 0.000 . 23 14 14 ASN ND2 N 109.339 0.008 . 24 15 15 PHE H H 8.371 0.000 . 25 15 15 PHE N N 124.425 0.000 . 26 16 16 GLN H H 8.609 0.000 . 27 16 16 GLN HE21 H 7.007 0.000 . 28 16 16 GLN HE22 H 6.857 0.000 . 29 16 16 GLN N N 125.359 0.000 . 30 16 16 GLN NE2 N 110.388 0.006 . 31 18 18 LYS H H 8.069 0.000 . 32 18 18 LYS N N 119.139 0.000 . 33 19 19 CYS H H 8.949 0.000 . 34 19 19 CYS N N 119.133 0.000 . 35 20 20 TYR H H 9.744 0.000 . 36 20 20 TYR N N 120.328 0.000 . 37 21 21 TYR H H 8.483 0.000 . 38 21 21 TYR N N 123.549 0.000 . 39 22 22 PHE H H 7.610 0.000 . 40 22 22 PHE N N 127.557 0.000 . 41 23 23 GLY H H 7.774 0.000 . 42 23 23 GLY N N 112.465 0.000 . 43 24 24 LYS H H 7.632 0.000 . 44 24 24 LYS N N 121.139 0.000 . 45 25 25 GLY H H 8.052 0.000 . 46 25 25 GLY N N 114.242 0.000 . 47 28 28 GLN H H 7.365 0.000 . 48 28 28 GLN N N 122.916 0.000 . 49 29 29 TRP H H 7.483 0.000 . 50 29 29 TRP HE1 H 10.421 0.000 . 51 29 29 TRP N N 122.939 0.000 . 52 29 29 TRP NE1 N 128.937 0.000 . 53 30 30 VAL H H 9.261 0.000 . 54 30 30 VAL N N 115.113 0.000 . 55 31 31 HIS H H 6.345 0.000 . 56 31 31 HIS N N 118.097 0.000 . 57 32 32 ALA H H 7.932 0.000 . 58 32 32 ALA N N 126.534 0.000 . 59 33 33 ARG H H 7.729 0.000 . 60 33 33 ARG N N 119.900 0.000 . 61 34 34 TYR H H 7.874 0.000 . 62 34 34 TYR N N 118.574 0.000 . 63 35 35 ALA H H 7.797 0.000 . 64 35 35 ALA N N 122.559 0.000 . 65 36 36 CYS H H 7.814 0.000 . 66 36 36 CYS N N 113.721 0.000 . 67 37 37 ASP H H 7.967 0.000 . 68 37 37 ASP N N 123.917 0.000 . 69 38 38 ASP H H 8.508 0.000 . 70 38 38 ASP N N 120.450 0.000 . 71 39 39 MET H H 7.416 0.000 . 72 39 39 MET N N 116.855 0.000 . 73 40 40 GLU H H 8.059 0.000 . 74 40 40 GLU N N 113.000 0.000 . 75 41 41 GLY H H 8.041 0.000 . 76 41 41 GLY N N 105.899 0.000 . 77 42 42 GLN H H 8.988 0.000 . 78 42 42 GLN HE21 H 7.880 0.000 . 79 42 42 GLN HE22 H 6.647 0.000 . 80 42 42 GLN N N 116.367 0.000 . 81 42 42 GLN NE2 N 112.146 0.001 . 82 43 43 LEU H H 8.528 0.000 . 83 43 43 LEU N N 125.423 0.000 . 84 44 44 VAL H H 8.216 0.000 . 85 44 44 VAL N N 120.769 0.000 . 86 45 45 SER H H 8.051 0.000 . 87 45 45 SER N N 120.838 0.000 . 88 46 46 ILE H H 3.443 0.000 . 89 46 46 ILE N N 117.724 0.000 . 90 47 47 HIS H H 8.783 0.000 . 91 47 47 HIS N N 120.838 0.000 . 92 48 48 SER H H 7.157 0.000 . 93 48 48 SER N N 111.773 0.000 . 94 50 50 GLU H H 8.893 0.000 . 95 50 50 GLU N N 119.111 0.000 . 96 51 51 GLU H H 7.835 0.000 . 97 51 51 GLU N N 121.674 0.000 . 98 52 52 GLN H H 7.729 0.000 . 99 52 52 GLN HE21 H 7.117 0.000 . 100 52 52 GLN HE22 H 6.468 0.000 . 101 52 52 GLN N N 118.097 0.000 . 102 52 52 GLN NE2 N 115.516 0.015 . 103 53 53 ASP H H 8.583 0.000 . 104 53 53 ASP N N 120.156 0.000 . 105 54 54 PHE H H 7.326 0.000 . 106 54 54 PHE N N 120.033 0.000 . 107 55 55 LEU H H 8.007 0.000 . 108 55 55 LEU N N 119.624 0.000 . 109 56 56 THR H H 8.988 0.000 . 110 56 56 THR N N 116.367 0.000 . 111 57 57 LYS H H 7.290 0.000 . 112 57 57 LYS N N 118.206 0.000 . 113 58 58 HIS H H 6.902 0.000 . 114 58 58 HIS N N 114.550 0.000 . 115 59 59 ALA H H 7.324 0.000 . 116 59 59 ALA N N 123.011 0.000 . 117 60 60 SER H H 8.513 0.000 . 118 60 60 SER N N 114.052 0.000 . 119 63 63 GLY H H 7.027 0.000 . 120 63 63 GLY N N 109.372 0.000 . 121 64 64 SER H H 8.571 0.000 . 122 64 64 SER N N 114.429 0.000 . 123 65 65 TRP H H 8.371 0.000 . 124 65 65 TRP HE1 H 10.314 0.000 . 125 65 65 TRP N N 124.425 0.000 . 126 65 65 TRP NE1 N 129.423 0.000 . 127 66 66 ILE H H 8.113 0.000 . 128 66 66 ILE N N 110.105 0.000 . 129 67 67 GLY H H 9.500 0.000 . 130 67 67 GLY N N 109.971 0.000 . 131 68 68 LEU H H 7.353 0.000 . 132 68 68 LEU N N 125.491 0.000 . 133 69 69 ARG H H 7.565 0.000 . 134 69 69 ARG N N 120.234 0.000 . 135 70 70 ASN H H 8.787 0.000 . 136 70 70 ASN HD21 H 6.790 0.000 . 137 70 70 ASN HD22 H 6.306 0.000 . 138 70 70 ASN N N 122.107 0.000 . 139 70 70 ASN ND2 N 108.668 0.015 . 140 71 71 LEU H H 7.866 0.000 . 141 71 71 LEU N N 126.838 0.000 . 142 74 74 LYS H H 7.809 0.000 . 143 74 74 LYS N N 117.160 0.000 . 144 75 75 GLY H H 8.559 0.000 . 145 75 75 GLY N N 108.703 0.000 . 146 76 76 GLU H H 7.519 0.000 . 147 76 76 GLU N N 119.183 0.000 . 148 77 77 PHE H H 8.704 0.000 . 149 77 77 PHE N N 123.672 0.000 . 150 78 78 ILE H H 8.444 0.000 . 151 78 78 ILE N N 122.978 0.000 . 152 79 79 TRP H H 8.671 0.000 . 153 79 79 TRP HE1 H 10.119 0.000 . 154 79 79 TRP N N 130.007 0.000 . 155 79 79 TRP NE1 N 129.096 0.000 . 156 80 80 VAL H H 9.050 0.000 . 157 80 80 VAL N N 117.919 0.000 . 158 81 81 ASP H H 7.774 0.000 . 159 81 81 ASP N N 118.319 0.000 . 160 82 82 GLY H H 8.776 0.000 . 161 82 82 GLY N N 109.883 0.000 . 162 83 83 SER H H 8.545 0.000 . 163 83 83 SER N N 117.816 0.000 . 164 84 84 HIS H H 8.460 0.000 . 165 84 84 HIS N N 118.527 0.000 . 166 85 85 VAL H H 9.222 0.000 . 167 85 85 VAL N N 121.662 0.000 . 168 86 86 ASP H H 9.084 0.000 . 169 86 86 ASP N N 128.952 0.000 . 170 87 87 TYR H H 10.036 0.000 . 171 87 87 TYR N N 125.696 0.000 . 172 88 88 SER H H 7.187 0.000 . 173 88 88 SER N N 118.934 0.000 . 174 89 89 ASN H H 2.619 0.000 . 175 89 89 ASN HD21 H 7.083 0.000 . 176 89 89 ASN HD22 H 6.075 0.000 . 177 89 89 ASN N N 115.296 0.000 . 178 89 89 ASN ND2 N 111.894 0.348 . 179 90 90 TRP H H 7.455 0.000 . 180 90 90 TRP HE1 H 10.218 0.000 . 181 90 90 TRP N N 120.478 0.000 . 182 90 90 TRP NE1 N 127.984 0.000 . 183 91 91 ALA H H 9.404 0.000 . 184 91 91 ALA N N 126.272 0.000 . 185 94 94 GLU H H 7.936 0.000 . 186 94 94 GLU N N 119.278 0.000 . 187 96 96 THR H H 7.729 0.000 . 188 96 96 THR N N 119.900 0.000 . 189 104 104 CYS H H 8.460 0.000 . 190 104 104 CYS N N 118.527 0.000 . 191 105 105 VAL H H 7.446 0.000 . 192 105 105 VAL N N 119.937 0.000 . 193 106 106 MET H H 8.783 0.000 . 194 106 106 MET N N 120.838 0.000 . 195 107 107 MET H H 9.442 0.000 . 196 107 107 MET N N 119.783 0.000 . 197 108 108 ARG H H 9.101 0.000 . 198 108 108 ARG N N 125.644 0.000 . 199 111 111 GLY H H 8.286 0.000 . 200 111 111 GLY N N 112.327 0.000 . 201 112 112 ARG H H 7.265 0.000 . 202 112 112 ARG N N 116.316 0.000 . 203 113 113 TRP H H 8.396 0.000 . 204 113 113 TRP HE1 H 10.933 0.000 . 205 113 113 TRP N N 120.271 0.000 . 206 113 113 TRP NE1 N 130.142 0.000 . 207 114 114 ASN H H 9.216 0.000 . 208 114 114 ASN HD21 H 7.352 0.000 . 209 114 114 ASN HD22 H 6.620 0.000 . 210 114 114 ASN N N 116.317 0.000 . 211 114 114 ASN ND2 N 110.039 0.033 . 212 115 115 ASP H H 9.229 0.000 . 213 115 115 ASP N N 122.861 0.000 . 214 116 116 ALA H H 9.461 0.000 . 215 116 116 ALA N N 126.694 0.000 . 216 117 117 PHE H H 8.475 0.000 . 217 117 117 PHE N N 119.641 0.000 . 218 118 118 CYS H H 9.047 0.000 . 219 118 118 CYS N N 120.581 0.000 . 220 119 119 ASP H H 8.520 0.000 . 221 119 119 ASP N N 117.162 0.000 . 222 120 120 ARG H H 7.925 0.000 . 223 120 120 ARG N N 122.693 0.000 . 224 121 121 LYS H H 8.461 0.000 . 225 121 121 LYS N N 122.152 0.000 . 226 122 122 LEU H H 8.054 0.000 . 227 122 122 LEU N N 124.434 0.000 . 228 124 124 ALA H H 7.442 0.000 . 229 124 124 ALA N N 119.145 0.000 . 230 125 125 TRP H H 7.630 0.000 . 231 125 125 TRP HE1 H 10.383 0.000 . 232 125 125 TRP N N 116.173 0.000 . 233 125 125 TRP NE1 N 132.150 0.000 . 234 126 126 VAL H H 7.290 0.000 . 235 126 126 VAL N N 118.206 0.000 . 236 127 127 CYS H H 9.229 0.000 . 237 127 127 CYS N N 122.861 0.000 . 238 128 128 ASP H H 10.278 0.000 . 239 128 128 ASP N N 120.399 0.000 . 240 129 129 ARG H H 7.992 0.000 . 241 129 129 ARG N N 110.744 0.000 . 242 130 130 LEU H H 8.581 0.000 . 243 130 130 LEU N N 121.390 0.000 . 244 131 131 ALA H H 8.252 0.000 . 245 131 131 ALA N N 124.782 0.000 . 246 132 132 THR H H 8.703 0.000 . 247 132 132 THR N N 114.594 0.000 . 248 133 133 CYS H H 9.219 0.000 . 249 133 133 CYS N N 125.395 0.000 . 250 143 143 GLU H H 7.913 0.000 . 251 143 143 GLU N N 125.229 0.000 . stop_ save_ save_concentration_2 _Saveframe_category assigned_chemical_shifts _Details '1H15N chemical shifts at 2.3mM derCD23 concentration' loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name derCD23 _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 4 4 VAL H H 8.334 0.000 . 2 4 4 VAL N N 121.921 0.000 . 3 6 6 ASN H H 8.591 0.000 . 4 6 6 ASN N N 123.960 0.000 . 5 7 7 THR H H 8.047 0.000 . 6 7 7 THR N N 116.643 0.000 . 7 8 8 CYS H H 9.326 0.000 . 8 8 8 CYS N N 126.711 0.000 . 9 10 10 GLU H H 8.530 0.000 . 10 10 10 GLU N N 121.681 0.000 . 11 11 11 LYS H H 8.788 0.000 . 12 11 11 LYS N N 115.186 0.000 . 13 12 12 TRP H H 8.548 0.000 . 14 12 12 TRP HE1 H 10.434 0.000 . 15 12 12 TRP N N 119.666 0.000 . 16 12 12 TRP NE1 N 132.244 0.000 . 17 13 13 ILE H H 9.852 0.000 . 18 13 13 ILE N N 120.859 0.000 . 19 14 14 ASN H H 9.082 0.000 . 20 14 14 ASN HD21 H 7.207 0.000 . 21 14 14 ASN HD22 H 6.434 0.000 . 22 14 14 ASN N N 125.599 0.000 . 23 14 14 ASN ND2 N 109.289 0.010 . 24 15 15 PHE H H 8.356 0.000 . 25 15 15 PHE N N 124.335 0.000 . 26 16 16 GLN H H 8.603 0.000 . 27 16 16 GLN HE21 H 6.999 0.000 . 28 16 16 GLN HE22 H 6.853 0.000 . 29 16 16 GLN N N 125.319 0.000 . 30 16 16 GLN NE2 N 110.299 0.003 . 31 18 18 LYS H H 8.080 0.000 . 32 18 18 LYS N N 119.029 0.000 . 33 19 19 CYS H H 8.961 0.000 . 34 19 19 CYS N N 119.026 0.000 . 35 20 20 TYR H H 9.772 0.000 . 36 20 20 TYR N N 120.332 0.000 . 37 21 21 TYR H H 8.479 0.000 . 38 21 21 TYR N N 123.403 0.000 . 39 22 22 PHE H H 7.620 0.000 . 40 22 22 PHE N N 127.607 0.000 . 41 23 23 GLY H H 7.781 0.000 . 42 23 23 GLY N N 112.304 0.000 . 43 24 24 LYS H H 7.627 0.000 . 44 24 24 LYS N N 121.045 0.000 . 45 25 25 GLY H H 8.069 0.000 . 46 25 25 GLY N N 114.109 0.000 . 47 28 28 GLN H H 7.338 0.000 . 48 28 28 GLN N N 122.805 0.000 . 49 29 29 TRP H H 7.489 0.000 . 50 29 29 TRP HE1 H 10.447 0.000 . 51 29 29 TRP N N 122.897 0.000 . 52 29 29 TRP NE1 N 128.945 0.000 . 53 30 30 VAL H H 9.256 0.000 . 54 30 30 VAL N N 115.013 0.000 . 55 31 31 HIS H H 6.367 0.000 . 56 31 31 HIS N N 118.072 0.000 . 57 32 32 ALA H H 7.932 0.000 . 58 32 32 ALA N N 126.280 0.000 . 59 33 33 ARG H H 7.707 0.000 . 60 33 33 ARG N N 119.773 0.000 . 61 34 34 TYR H H 7.851 0.000 . 62 34 34 TYR N N 118.437 0.000 . 63 35 35 ALA H H 7.817 0.000 . 64 35 35 ALA N N 122.363 0.000 . 65 36 36 CYS H H 7.818 0.000 . 66 36 36 CYS N N 113.521 0.000 . 67 37 37 ASP H H 7.948 0.000 . 68 37 37 ASP N N 123.749 0.000 . 69 38 38 ASP H H 8.499 0.000 . 70 38 38 ASP N N 120.218 0.000 . 71 39 39 MET H H 7.429 0.000 . 72 39 39 MET N N 116.780 0.000 . 73 40 40 GLU H H 8.073 0.000 . 74 40 40 GLU N N 112.905 0.000 . 75 41 41 GLY H H 8.058 0.000 . 76 41 41 GLY N N 105.829 0.000 . 77 42 42 GLN H H 8.997 0.000 . 78 42 42 GLN HE21 H 7.898 0.000 . 79 42 42 GLN HE22 H 6.644 0.000 . 80 42 42 GLN N N 116.391 0.000 . 81 42 42 GLN NE2 N 112.041 0.001 . 82 43 43 LEU H H 8.597 0.000 . 83 43 43 LEU N N 124.935 0.000 . 84 44 44 VAL H H 8.227 0.000 . 85 44 44 VAL N N 120.601 0.000 . 86 45 45 SER H H 8.050 0.000 . 87 45 45 SER N N 120.804 0.000 . 88 46 46 ILE H H 3.476 0.000 . 89 46 46 ILE N N 117.748 0.000 . 90 47 47 HIS H H 8.793 0.000 . 91 47 47 HIS N N 120.888 0.000 . 92 48 48 SER H H 7.177 0.000 . 93 48 48 SER N N 111.728 0.000 . 94 50 50 GLU H H 8.878 0.000 . 95 50 50 GLU N N 118.816 0.000 . 96 51 51 GLU H H 7.819 0.000 . 97 51 51 GLU N N 121.480 0.000 . 98 52 52 GLN H H 7.716 0.000 . 99 52 52 GLN HE21 H 7.099 0.000 . 100 52 52 GLN HE22 H 6.481 0.000 . 101 52 52 GLN N N 118.042 0.000 . 102 52 52 GLN NE2 N 115.271 0.001 . 103 53 53 ASP H H 8.582 0.000 . 104 53 53 ASP N N 120.142 0.000 . 105 54 54 PHE H H 7.347 0.000 . 106 54 54 PHE N N 119.780 0.000 . 107 55 55 LEU H H 7.995 0.000 . 108 55 55 LEU N N 119.967 0.000 . 109 56 56 THR H H 8.982 0.000 . 110 56 56 THR N N 116.008 0.000 . 111 57 57 LYS H H 7.233 0.000 . 112 57 57 LYS N N 118.590 0.000 . 113 58 58 HIS H H 6.745 0.000 . 114 58 58 HIS N N 115.003 0.000 . 115 59 59 ALA H H 7.338 0.000 . 116 59 59 ALA N N 122.805 0.000 . 117 60 60 SER H H 8.500 0.000 . 118 60 60 SER N N 113.919 0.000 . 119 63 63 GLY H H 7.049 0.000 . 120 63 63 GLY N N 109.158 0.000 . 121 64 64 SER H H 8.527 0.000 . 122 64 64 SER N N 114.167 0.000 . 123 65 65 TRP H H 8.356 0.000 . 124 65 65 TRP HE1 H 10.334 0.000 . 125 65 65 TRP N N 124.335 0.000 . 126 65 65 TRP NE1 N 129.388 0.000 . 127 66 66 ILE H H 8.154 0.000 . 128 66 66 ILE N N 110.069 0.000 . 129 67 67 GLY H H 9.524 0.000 . 130 67 67 GLY N N 109.958 0.000 . 131 68 68 LEU H H 7.370 0.000 . 132 68 68 LEU N N 125.363 0.000 . 133 69 69 ARG H H 7.583 0.000 . 134 69 69 ARG N N 120.292 0.000 . 135 70 70 ASN H H 8.842 0.000 . 136 70 70 ASN HD21 H 6.743 0.000 . 137 70 70 ASN HD22 H 6.283 0.000 . 138 70 70 ASN N N 122.251 0.000 . 139 70 70 ASN ND2 N 108.625 0.011 . 140 71 71 LEU H H 7.861 0.000 . 141 71 71 LEU N N 126.592 0.000 . 142 74 74 LYS H H 7.799 0.000 . 143 74 74 LYS N N 117.303 0.000 . 144 75 75 GLY H H 8.563 0.000 . 145 75 75 GLY N N 108.674 0.000 . 146 76 76 GLU H H 7.461 0.000 . 147 76 76 GLU N N 118.637 0.000 . 148 77 77 PHE H H 8.665 0.000 . 149 77 77 PHE N N 123.022 0.000 . 150 78 78 ILE H H 8.479 0.000 . 151 78 78 ILE N N 123.403 0.000 . 152 79 79 TRP H H 8.699 0.000 . 153 79 79 TRP HE1 H 10.164 0.000 . 154 79 79 TRP N N 129.888 0.000 . 155 79 79 TRP NE1 N 129.223 0.000 . 156 80 80 VAL H H 9.070 0.000 . 157 80 80 VAL N N 117.574 0.000 . 158 81 81 ASP H H 7.772 0.000 . 159 81 81 ASP N N 118.287 0.000 . 160 82 82 GLY H H 8.794 0.000 . 161 82 82 GLY N N 109.782 0.000 . 162 83 83 SER H H 8.528 0.000 . 163 83 83 SER N N 117.774 0.000 . 164 84 84 HIS H H 8.482 0.000 . 165 84 84 HIS N N 118.240 0.000 . 166 85 85 VAL H H 9.123 0.000 . 167 85 85 VAL N N 121.360 0.000 . 168 86 86 ASP H H 9.074 0.000 . 169 86 86 ASP N N 128.878 0.000 . 170 87 87 TYR H H 9.915 0.000 . 171 87 87 TYR N N 125.298 0.000 . 172 88 88 SER H H 7.184 0.000 . 173 88 88 SER N N 118.787 0.000 . 174 89 89 ASN H H 2.639 0.000 . 175 89 89 ASN HD21 H 7.083 0.000 . 176 89 89 ASN HD22 H 6.089 0.000 . 177 89 89 ASN N N 115.215 0.000 . 178 89 89 ASN ND2 N 111.817 0.321 . 179 90 90 TRP H H 7.439 0.000 . 180 90 90 TRP HE1 H 10.227 0.000 . 181 90 90 TRP N N 120.403 0.000 . 182 90 90 TRP NE1 N 127.962 0.000 . 183 91 91 ALA H H 9.410 0.000 . 184 91 91 ALA N N 126.211 0.000 . 185 94 94 GLU H H 7.949 0.000 . 186 94 94 GLU N N 119.269 0.000 . 187 96 96 THR H H 7.707 0.000 . 188 96 96 THR N N 119.773 0.000 . 189 104 104 CYS H H 8.455 0.000 . 190 104 104 CYS N N 118.234 0.000 . 191 105 105 VAL H H 7.469 0.000 . 192 105 105 VAL N N 119.863 0.000 . 193 106 106 MET H H 8.793 0.000 . 194 106 106 MET N N 120.888 0.000 . 195 107 107 MET H H 9.441 0.000 . 196 107 107 MET N N 119.622 0.000 . 197 108 108 ARG H H 9.082 0.000 . 198 108 108 ARG N N 125.599 0.000 . 199 111 111 GLY H H 8.297 0.000 . 200 111 111 GLY N N 112.054 0.000 . 201 112 112 ARG H H 7.272 0.000 . 202 112 112 ARG N N 116.211 0.000 . 203 113 113 TRP H H 8.408 0.000 . 204 113 113 TRP HE1 H 10.941 0.000 . 205 113 113 TRP N N 120.212 0.000 . 206 113 113 TRP NE1 N 130.039 0.000 . 207 114 114 ASN H H 9.219 0.000 . 208 114 114 ASN HD21 H 7.358 0.000 . 209 114 114 ASN HD22 H 6.625 0.000 . 210 114 114 ASN N N 116.502 0.000 . 211 114 114 ASN ND2 N 109.985 0.001 . 212 115 115 ASP H H 9.245 0.000 . 213 115 115 ASP N N 122.884 0.000 . 214 116 116 ALA H H 9.501 0.000 . 215 116 116 ALA N N 126.947 0.000 . 216 117 117 PHE H H 8.459 0.000 . 217 117 117 PHE N N 119.373 0.000 . 218 118 118 CYS H H 9.015 0.000 . 219 118 118 CYS N N 120.495 0.000 . 220 119 119 ASP H H 8.536 0.000 . 221 119 119 ASP N N 117.035 0.000 . 222 120 120 ARG H H 7.922 0.000 . 223 120 120 ARG N N 122.551 0.000 . 224 121 121 LYS H H 8.470 0.000 . 225 121 121 LYS N N 122.052 0.000 . 226 122 122 LEU H H 8.044 0.000 . 227 122 122 LEU N N 124.253 0.000 . 228 124 124 ALA H H 7.455 0.000 . 229 124 124 ALA N N 119.044 0.000 . 230 125 125 TRP H H 7.659 0.000 . 231 125 125 TRP HE1 H 10.372 0.000 . 232 125 125 TRP N N 116.233 0.000 . 233 125 125 TRP NE1 N 131.937 0.000 . 234 126 126 VAL H H 7.300 0.000 . 235 126 126 VAL N N 118.165 0.000 . 236 127 127 CYS H H 9.245 0.000 . 237 127 127 CYS N N 122.884 0.000 . 238 128 128 ASP H H 10.276 0.000 . 239 128 128 ASP N N 120.346 0.000 . 240 129 129 ARG H H 8.002 0.000 . 241 129 129 ARG N N 110.658 0.000 . 242 130 130 LEU H H 8.578 0.000 . 243 130 130 LEU N N 121.367 0.000 . 244 131 131 ALA H H 8.261 0.000 . 245 131 131 ALA N N 124.728 0.000 . 246 132 132 THR H H 8.703 0.000 . 247 132 132 THR N N 114.577 0.000 . 248 133 133 CYS H H 9.220 0.000 . 249 133 133 CYS N N 125.256 0.000 . 250 143 143 GLU H H 7.910 0.000 . 251 143 143 GLU N N 125.140 0.000 . stop_ save_ save_without_Calcium _Saveframe_category assigned_chemical_shifts _Details '1H15N chemical shifts of start point of calcium titration' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name derCD23 _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 4 4 VAL H H 8.355 0.000 . 2 4 4 VAL N N 122.244 0.000 . 3 6 6 ASN H H 8.577 0.000 . 4 6 6 ASN N N 124.070 0.000 . 5 7 7 THR H H 8.045 0.000 . 6 7 7 THR N N 116.786 0.000 . 7 8 8 CYS H H 9.311 0.000 . 8 8 8 CYS N N 126.732 0.000 . 9 10 10 GLU H H 8.538 0.000 . 10 10 10 GLU N N 121.752 0.000 . 11 11 11 LYS H H 8.788 0.000 . 12 11 11 LYS N N 115.220 0.000 . 13 12 12 TRP H H 8.520 0.000 . 14 12 12 TRP HE1 H 10.448 0.000 . 15 12 12 TRP N N 119.799 0.000 . 16 12 12 TRP NE1 N 132.410 0.000 . 17 13 13 ILE H H 9.835 0.000 . 18 13 13 ILE N N 120.590 0.000 . 19 14 14 ASN H H 9.121 0.000 . 20 14 14 ASN HD21 H 7.207 0.000 . 21 14 14 ASN HD22 H 6.405 0.000 . 22 14 14 ASN N N 125.775 0.000 . 23 14 14 ASN ND2 N 109.264 0.019 . 24 15 15 PHE H H 8.374 0.000 . 25 15 15 PHE N N 124.436 0.000 . 26 16 16 GLN H H 8.611 0.000 . 27 16 16 GLN HE21 H 7.008 0.000 . 28 16 16 GLN HE22 H 6.859 0.000 . 29 16 16 GLN N N 125.350 0.000 . 30 16 16 GLN NE2 N 110.384 0.001 . 31 18 18 LYS H H 8.069 0.000 . 32 18 18 LYS N N 119.124 0.000 . 33 19 19 CYS H H 8.936 0.000 . 34 19 19 CYS N N 119.098 0.000 . 35 20 20 TYR H H 9.744 0.000 . 36 20 20 TYR N N 120.271 0.000 . 37 21 21 TYR H H 8.450 0.000 . 38 21 21 TYR N N 122.969 0.000 . 39 22 22 PHE H H 7.609 0.000 . 40 22 22 PHE N N 127.626 0.000 . 41 23 23 GLY H H 7.779 0.000 . 42 23 23 GLY N N 112.484 0.000 . 43 24 24 LYS H H 7.635 0.000 . 44 24 24 LYS N N 121.175 0.000 . 45 25 25 GLY H H 8.049 0.000 . 46 25 25 GLY N N 114.197 0.000 . 47 28 28 GLN H H 7.421 0.000 . 48 28 28 GLN N N 122.936 0.000 . 49 29 29 TRP H H 7.531 0.000 . 50 29 29 TRP HE1 H 10.376 0.000 . 51 29 29 TRP N N 123.041 0.000 . 52 29 29 TRP NE1 N 128.869 0.000 . 53 30 30 VAL H H 9.258 0.000 . 54 30 30 VAL N N 115.095 0.000 . 55 31 31 HIS H H 6.344 0.000 . 56 31 31 HIS N N 118.048 0.000 . 57 32 32 ALA H H 7.951 0.000 . 58 32 32 ALA N N 126.557 0.000 . 59 33 33 ARG H H 7.745 0.000 . 60 33 33 ARG N N 119.885 0.000 . 61 34 34 TYR H H 7.880 0.000 . 62 34 34 TYR N N 118.548 0.000 . 63 35 35 ALA H H 7.802 0.000 . 64 35 35 ALA N N 122.792 0.000 . 65 36 36 CYS H H 7.817 0.000 . 66 36 36 CYS N N 113.754 0.000 . 67 37 37 ASP H H 7.970 0.000 . 68 37 37 ASP N N 123.900 0.000 . 69 38 38 ASP H H 8.509 0.000 . 70 38 38 ASP N N 120.426 0.000 . 71 39 39 MET H H 7.420 0.000 . 72 39 39 MET N N 116.830 0.000 . 73 40 40 GLU H H 8.065 0.000 . 74 40 40 GLU N N 113.028 0.000 . 75 41 41 GLY H H 8.051 0.000 . 76 41 41 GLY N N 105.931 0.000 . 77 42 42 GLN H H 9.001 0.000 . 78 42 42 GLN HE21 H 7.874 0.000 . 79 42 42 GLN HE22 H 6.651 0.000 . 80 42 42 GLN N N 116.348 0.000 . 81 42 42 GLN NE2 N 112.121 0.003 . 82 43 43 LEU H H 8.530 0.000 . 83 43 43 LEU N N 125.404 0.000 . 84 44 44 VAL H H 8.216 0.000 . 85 44 44 VAL N N 120.889 0.000 . 86 45 45 SER H H 8.059 0.000 . 87 45 45 SER N N 120.894 0.000 . 88 46 46 ILE H H 3.472 0.000 . 89 46 46 ILE N N 117.764 0.000 . 90 47 47 HIS H H 8.783 0.000 . 91 47 47 HIS N N 120.776 0.000 . 92 48 48 SER H H 7.156 0.000 . 93 48 48 SER N N 111.823 0.000 . 94 50 50 GLU H H 8.894 0.000 . 95 50 50 GLU N N 119.140 0.000 . 96 51 51 GLU H H 7.835 0.000 . 97 51 51 GLU N N 121.658 0.000 . 98 52 52 GLN H H 7.726 0.000 . 99 52 52 GLN HE21 H 7.126 0.000 . 100 52 52 GLN HE22 H 6.461 0.000 . 101 52 52 GLN N N 118.073 0.000 . 102 52 52 GLN NE2 N 115.459 0.038 . 103 53 53 ASP H H 8.582 0.000 . 104 53 53 ASP N N 120.135 0.000 . 105 54 54 PHE H H 7.330 0.000 . 106 54 54 PHE N N 120.006 0.000 . 107 55 55 LEU H H 8.014 0.000 . 108 55 55 LEU N N 119.639 0.000 . 109 56 56 THR H H 9.001 0.000 . 110 56 56 THR N N 116.348 0.000 . 111 57 57 LYS H H 7.263 0.000 . 112 57 57 LYS N N 118.183 0.000 . 113 58 58 HIS H H 6.920 0.000 . 114 58 58 HIS N N 114.530 0.000 . 115 59 59 ALA H H 7.317 0.000 . 116 59 59 ALA N N 123.059 0.000 . 117 60 60 SER H H 8.504 0.000 . 118 60 60 SER N N 114.165 0.000 . 119 63 63 GLY H H 7.025 0.000 . 120 63 63 GLY N N 109.307 0.000 . 121 64 64 SER H H 8.579 0.000 . 122 64 64 SER N N 114.434 0.000 . 123 65 65 TRP H H 8.374 0.000 . 124 65 65 TRP HE1 H 10.302 0.000 . 125 65 65 TRP N N 124.436 0.000 . 126 65 65 TRP NE1 N 129.307 0.000 . 127 66 66 ILE H H 8.043 0.000 . 128 66 66 ILE N N 110.099 0.000 . 129 67 67 GLY H H 9.478 0.000 . 130 67 67 GLY N N 109.847 0.000 . 131 68 68 LEU H H 7.357 0.000 . 132 68 68 LEU N N 125.639 0.000 . 133 69 69 ARG H H 7.573 0.000 . 134 69 69 ARG N N 120.069 0.000 . 135 70 70 ASN H H 8.630 0.000 . 136 70 70 ASN HD21 H 6.744 0.000 . 137 70 70 ASN HD22 H 6.352 0.000 . 138 70 70 ASN N N 121.490 0.000 . 139 70 70 ASN ND2 N 108.785 0.120 . 140 71 71 LEU H H 7.879 0.000 . 141 71 71 LEU N N 126.806 0.000 . 142 74 74 LYS H H 7.933 0.000 . 143 74 74 LYS N N 117.582 0.000 . 144 75 75 GLY H H 8.472 0.000 . 145 75 75 GLY N N 108.631 0.000 . 146 76 76 GLU H H 7.593 0.000 . 147 76 76 GLU N N 119.435 0.000 . 148 77 77 PHE H H 8.704 0.000 . 149 77 77 PHE N N 123.659 0.000 . 150 78 78 ILE H H 8.450 0.000 . 151 78 78 ILE N N 122.969 0.000 . 152 79 79 TRP H H 8.650 0.000 . 153 79 79 TRP HE1 H 10.116 0.000 . 154 79 79 TRP N N 129.460 0.000 . 155 79 79 TRP NE1 N 129.072 0.000 . 156 80 80 VAL H H 8.995 0.000 . 157 80 80 VAL N N 118.192 0.000 . 158 81 81 ASP H H 7.786 0.000 . 159 81 81 ASP N N 118.180 0.000 . 160 82 82 GLY H H 8.741 0.000 . 161 82 82 GLY N N 109.771 0.000 . 162 83 83 SER H H 8.548 0.000 . 163 83 83 SER N N 117.793 0.000 . 164 84 84 HIS H H 8.435 0.000 . 165 84 84 HIS N N 119.117 0.000 . 166 85 85 VAL H H 9.183 0.000 . 167 85 85 VAL N N 121.650 0.000 . 168 86 86 ASP H H 9.100 0.000 . 169 86 86 ASP N N 128.939 0.000 . 170 87 87 TYR H H 10.030 0.000 . 171 87 87 TYR N N 125.692 0.000 . 172 88 88 SER H H 7.172 0.000 . 173 88 88 SER N N 118.881 0.000 . 174 89 89 ASN H H 2.614 0.000 . 175 89 89 ASN HD21 H 7.075 0.000 . 176 89 89 ASN HD22 H 6.096 0.000 . 177 89 89 ASN N N 115.356 0.000 . 178 89 89 ASN ND2 N 111.888 0.359 . 179 90 90 TRP H H 7.442 0.000 . 180 90 90 TRP HE1 H 10.179 0.000 . 181 90 90 TRP N N 120.428 0.000 . 182 90 90 TRP NE1 N 127.895 0.000 . 183 91 91 ALA H H 9.392 0.000 . 184 91 91 ALA N N 126.192 0.000 . 185 94 94 GLU H H 7.923 0.000 . 186 94 94 GLU N N 119.135 0.000 . 187 96 96 THR H H 7.769 0.000 . 188 96 96 THR N N 119.788 0.000 . 189 104 104 CYS H H 8.435 0.000 . 190 104 104 CYS N N 119.118 0.000 . 191 105 105 VAL H H 7.481 0.000 . 192 105 105 VAL N N 119.970 0.000 . 193 106 106 MET H H 8.813 0.000 . 194 106 106 MET N N 120.797 0.000 . 195 107 107 MET H H 9.425 0.000 . 196 107 107 MET N N 119.817 0.000 . 197 108 108 ARG H H 9.099 0.000 . 198 108 108 ARG N N 125.519 0.000 . 199 111 111 GLY H H 8.286 0.000 . 200 111 111 GLY N N 112.330 0.000 . 201 112 112 ARG H H 7.254 0.000 . 202 112 112 ARG N N 116.368 0.000 . 203 113 113 TRP H H 8.353 0.000 . 204 113 113 TRP HE1 H 10.901 0.000 . 205 113 113 TRP N N 120.356 0.000 . 206 113 113 TRP NE1 N 130.023 0.000 . 207 114 114 ASN H H 9.233 0.000 . 208 114 114 ASN HD21 H 7.352 0.000 . 209 114 114 ASN HD22 H 6.619 0.000 . 210 114 114 ASN N N 115.797 0.000 . 211 114 114 ASN ND2 N 110.009 0.029 . 212 115 115 ASP H H 9.310 0.000 . 213 115 115 ASP N N 122.178 0.000 . 214 116 116 ALA H H 9.366 0.000 . 215 116 116 ALA N N 125.331 0.000 . 216 117 117 PHE H H 8.461 0.000 . 217 117 117 PHE N N 119.363 0.000 . 218 118 118 CYS H H 9.029 0.000 . 219 118 118 CYS N N 120.680 0.000 . 220 119 119 ASP H H 8.397 0.000 . 221 119 119 ASP N N 117.221 0.000 . 222 120 120 ARG H H 7.942 0.000 . 223 120 120 ARG N N 122.841 0.000 . 224 121 121 LYS H H 8.471 0.000 . 225 121 121 LYS N N 122.214 0.000 . 226 122 122 LEU H H 8.033 0.000 . 227 122 122 LEU N N 124.925 0.000 . 228 124 124 ALA H H 7.444 0.000 . 229 124 124 ALA N N 119.125 0.000 . 230 125 125 TRP H H 7.632 0.000 . 231 125 125 TRP HE1 H 10.385 0.000 . 232 125 125 TRP N N 116.195 0.000 . 233 125 125 TRP NE1 N 132.147 0.000 . 234 126 126 VAL H H 7.289 0.000 . 235 126 126 VAL N N 118.196 0.000 . 236 127 127 CYS H H 9.200 0.000 . 237 127 127 CYS N N 123.158 0.000 . 238 128 128 ASP H H 10.282 0.000 . 239 128 128 ASP N N 120.422 0.000 . 240 129 129 ARG H H 7.992 0.000 . 241 129 129 ARG N N 110.755 0.000 . 242 130 130 LEU H H 8.589 0.000 . 243 130 130 LEU N N 121.400 0.000 . 244 131 131 ALA H H 8.253 0.000 . 245 131 131 ALA N N 124.772 0.000 . 246 132 132 THR H H 8.710 0.000 . 247 132 132 THR N N 114.652 0.000 . 248 133 133 CYS H H 9.212 0.000 . 249 133 133 CYS N N 125.335 0.000 . 250 143 143 GLU H H 7.911 0.000 . 251 143 143 GLU N N 125.208 0.000 . stop_ save_ save_without_CD21 _Saveframe_category assigned_chemical_shifts _Details '1H15N chemical shifts of start point of CD21 titration' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name derCD23 _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 4 4 VAL H H 8.343 0.000 . 2 4 4 VAL N N 122.080 0.000 . 3 5 5 CYS H H 7.993 0.000 . 4 5 5 CYS N N 129.515 0.000 . 5 6 6 ASN H H 8.596 0.000 . 6 6 6 ASN N N 124.103 0.000 . 7 7 7 THR H H 8.056 0.000 . 8 7 7 THR N N 116.753 0.000 . 9 8 8 CYS H H 9.321 0.000 . 10 8 8 CYS N N 126.730 0.000 . 11 10 10 GLU H H 8.546 0.000 . 12 10 10 GLU N N 121.647 0.000 . 13 11 11 LYS H H 8.785 0.000 . 14 11 11 LYS N N 115.241 0.000 . 15 12 12 TRP H H 8.501 0.000 . 16 12 12 TRP HE1 H 10.450 0.000 . 17 12 12 TRP N N 120.208 0.000 . 18 12 12 TRP NE1 N 132.347 0.000 . 19 13 13 ILE H H 9.843 0.000 . 20 13 13 ILE N N 120.673 0.000 . 21 14 14 ASN H H 9.100 0.000 . 22 14 14 ASN HD21 H 7.204 0.000 . 23 14 14 ASN HD22 H 6.418 0.000 . 24 14 14 ASN N N 125.261 0.000 . 25 14 14 ASN ND2 N 109.320 0.001 . 26 15 15 PHE H H 8.354 0.000 . 27 15 15 PHE N N 124.426 0.000 . 28 18 18 LYS H H 8.069 0.000 . 29 18 18 LYS N N 119.061 0.000 . 30 19 19 CYS H H 8.967 0.000 . 31 19 19 CYS N N 119.118 0.000 . 32 20 20 TYR H H 9.763 0.000 . 33 20 20 TYR N N 120.307 0.000 . 34 21 21 TYR H H 8.445 0.000 . 35 21 21 TYR N N 123.498 0.000 . 36 22 22 PHE H H 7.607 0.000 . 37 22 22 PHE N N 127.684 0.000 . 38 23 23 GLY H H 7.773 0.000 . 39 23 23 GLY N N 112.414 0.000 . 40 24 24 LYS H H 7.627 0.000 . 41 24 24 LYS N N 121.064 0.000 . 42 25 25 GLY H H 8.050 0.000 . 43 25 25 GLY N N 114.181 0.000 . 44 28 28 GLN H H 7.381 0.000 . 45 28 28 GLN N N 122.887 0.000 . 46 29 29 TRP H H 7.490 0.000 . 47 29 29 TRP HE1 H 10.430 0.000 . 48 29 29 TRP N N 122.935 0.000 . 49 29 29 TRP NE1 N 129.035 0.000 . 50 30 30 VAL H H 9.254 0.000 . 51 30 30 VAL N N 115.095 0.000 . 52 31 31 HIS H H 6.349 0.000 . 53 31 31 HIS N N 118.096 0.000 . 54 32 32 ALA H H 7.940 0.000 . 55 32 32 ALA N N 126.340 0.000 . 56 33 33 ARG H H 7.739 0.000 . 57 33 33 ARG N N 119.942 0.000 . 58 34 34 TYR H H 7.853 0.000 . 59 34 34 TYR N N 118.427 0.000 . 60 35 35 ALA H H 7.812 0.000 . 61 35 35 ALA N N 122.792 0.000 . 62 36 36 CYS H H 7.808 0.000 . 63 36 36 CYS N N 113.704 0.000 . 64 37 37 ASP H H 7.960 0.000 . 65 37 37 ASP N N 123.898 0.000 . 66 38 38 ASP H H 8.536 0.000 . 67 38 38 ASP N N 120.560 0.000 . 68 39 39 MET H H 7.429 0.000 . 69 39 39 MET N N 116.775 0.000 . 70 40 40 GLU H H 8.063 0.000 . 71 40 40 GLU N N 113.083 0.000 . 72 41 41 GLY H H 8.059 0.000 . 73 41 41 GLY N N 105.693 0.000 . 74 42 42 GLN H H 9.039 0.000 . 75 42 42 GLN HE21 H 7.879 0.000 . 76 42 42 GLN HE22 H 6.641 0.000 . 77 42 42 GLN N N 116.449 0.000 . 78 42 42 GLN NE2 N 112.049 0.002 . 79 43 43 LEU H H 8.600 0.000 . 80 43 43 LEU N N 125.213 0.000 . 81 44 44 VAL H H 8.448 0.000 . 82 44 44 VAL N N 121.032 0.000 . 83 45 45 SER H H 8.040 0.000 . 84 45 45 SER N N 120.911 0.000 . 85 46 46 ILE H H 3.463 0.000 . 86 46 46 ILE N N 117.803 0.000 . 87 47 47 HIS H H 8.760 0.000 . 88 47 47 HIS N N 121.022 0.000 . 89 48 48 SER H H 7.165 0.000 . 90 48 48 SER N N 111.756 0.000 . 91 50 50 GLU H H 8.881 0.000 . 92 50 50 GLU N N 119.001 0.000 . 93 51 51 GLU H H 7.816 0.000 . 94 51 51 GLU N N 121.563 0.000 . 95 52 52 GLN H H 7.715 0.000 . 96 52 52 GLN HE21 H 7.104 0.000 . 97 52 52 GLN HE22 H 6.469 0.000 . 98 52 52 GLN N N 118.104 0.000 . 99 52 52 GLN NE2 N 115.381 0.010 . 100 53 53 ASP H H 8.550 0.000 . 101 53 53 ASP N N 119.670 0.000 . 102 54 54 PHE H H 7.336 0.000 . 103 54 54 PHE N N 120.390 0.000 . 104 55 55 LEU H H 8.014 0.000 . 105 55 55 LEU N N 120.336 0.000 . 106 56 56 THR H H 8.994 0.000 . 107 56 56 THR N N 116.381 0.000 . 108 57 57 LYS H H 7.255 0.000 . 109 57 57 LYS N N 118.414 0.000 . 110 58 58 HIS H H 6.800 0.000 . 111 58 58 HIS N N 114.865 0.000 . 112 59 59 ALA H H 7.328 0.000 . 113 59 59 ALA N N 122.981 0.000 . 114 60 60 SER H H 8.616 0.000 . 115 60 60 SER N N 114.537 0.000 . 116 63 63 GLY H H 7.042 0.000 . 117 63 63 GLY N N 109.313 0.000 . 118 64 64 SER H H 8.498 0.000 . 119 64 64 SER N N 114.184 0.000 . 120 65 65 TRP H H 8.373 0.000 . 121 65 65 TRP HE1 H 10.319 0.000 . 122 65 65 TRP N N 124.455 0.000 . 123 65 65 TRP NE1 N 129.452 0.000 . 124 66 66 ILE H H 8.176 0.000 . 125 66 66 ILE N N 110.354 0.000 . 126 67 67 GLY H H 9.562 0.000 . 127 67 67 GLY N N 110.017 0.000 . 128 68 68 LEU H H 7.358 0.000 . 129 68 68 LEU N N 125.483 0.000 . 130 69 69 ARG H H 7.573 0.000 . 131 69 69 ARG N N 120.258 0.000 . 132 70 70 ASN H H 8.796 0.000 . 133 70 70 ASN N N 122.192 0.000 . 134 71 71 LEU H H 7.807 0.000 . 135 71 71 LEU N N 127.365 0.000 . 136 74 74 LYS H H 7.807 0.000 . 137 74 74 LYS N N 117.080 0.000 . 138 75 75 GLY H H 8.563 0.000 . 139 75 75 GLY N N 108.738 0.000 . 140 76 76 GLU H H 7.500 0.000 . 141 76 76 GLU N N 118.958 0.000 . 142 77 77 PHE H H 8.683 0.000 . 143 77 77 PHE N N 123.416 0.000 . 144 78 78 ILE H H 8.481 0.000 . 145 78 78 ILE N N 123.582 0.000 . 146 79 79 TRP H H 8.682 0.000 . 147 79 79 TRP HE1 H 10.135 0.000 . 148 79 79 TRP N N 129.949 0.000 . 149 79 79 TRP NE1 N 129.263 0.000 . 150 80 80 VAL H H 9.056 0.000 . 151 80 80 VAL N N 117.794 0.000 . 152 81 81 ASP H H 7.775 0.000 . 153 81 81 ASP N N 118.353 0.000 . 154 82 82 GLY H H 8.779 0.000 . 155 82 82 GLY N N 109.844 0.000 . 156 83 83 SER H H 8.537 0.000 . 157 83 83 SER N N 117.765 0.000 . 158 84 84 HIS H H 8.446 0.000 . 159 84 84 HIS N N 118.310 0.000 . 160 85 85 VAL H H 9.169 0.000 . 161 85 85 VAL N N 121.536 0.000 . 162 86 86 ASP H H 9.085 0.000 . 163 86 86 ASP N N 128.986 0.000 . 164 87 87 TYR H H 9.983 0.000 . 165 87 87 TYR N N 125.528 0.000 . 166 88 88 SER H H 7.188 0.000 . 167 88 88 SER N N 118.892 0.000 . 168 89 89 ASN H H 2.633 0.000 . 169 89 89 ASN HD21 H 7.084 0.000 . 170 89 89 ASN HD22 H 6.079 0.000 . 171 89 89 ASN N N 115.318 0.000 . 172 89 89 ASN ND2 N 112.133 0.003 . 173 90 90 TRP H H 7.455 0.000 . 174 90 90 TRP HE1 H 10.217 0.000 . 175 90 90 TRP N N 120.562 0.000 . 176 90 90 TRP NE1 N 128.055 0.000 . 177 91 91 ALA H H 9.399 0.000 . 178 91 91 ALA N N 126.204 0.000 . 179 94 94 GLU H H 7.951 0.000 . 180 94 94 GLU N N 119.259 0.000 . 181 104 104 CYS H H 8.477 0.000 . 182 104 104 CYS N N 118.406 0.000 . 183 105 105 VAL H H 7.452 0.000 . 184 105 105 VAL N N 119.868 0.000 . 185 106 106 MET H H 8.787 0.000 . 186 106 106 MET N N 120.876 0.000 . 187 107 107 MET H H 9.432 0.000 . 188 107 107 MET N N 119.704 0.000 . 189 108 108 ARG H H 9.089 0.000 . 190 108 108 ARG N N 125.631 0.000 . 191 111 111 GLY H H 8.287 0.000 . 192 111 111 GLY N N 112.173 0.000 . 193 112 112 ARG H H 7.251 0.000 . 194 112 112 ARG N N 116.345 0.000 . 195 113 113 TRP H H 8.410 0.000 . 196 113 113 TRP HE1 H 10.935 0.000 . 197 113 113 TRP N N 120.202 0.000 . 198 113 113 TRP NE1 N 130.097 0.000 . 199 114 114 ASN H H 9.217 0.000 . 200 114 114 ASN N N 116.440 0.000 . 201 115 115 ASP H H 9.242 0.000 . 202 115 115 ASP N N 122.813 0.000 . 203 116 116 ALA H H 9.470 0.000 . 204 116 116 ALA N N 126.678 0.000 . 205 117 117 PHE H H 8.478 0.000 . 206 117 117 PHE N N 119.556 0.000 . 207 118 118 CYS H H 9.044 0.000 . 208 118 118 CYS N N 120.579 0.000 . 209 119 119 ASP H H 8.606 0.000 . 210 119 119 ASP N N 117.410 0.000 . 211 120 120 ARG H H 7.906 0.000 . 212 120 120 ARG N N 122.642 0.000 . 213 121 121 LYS H H 8.472 0.000 . 214 121 121 LYS N N 122.042 0.000 . 215 122 122 LEU H H 7.978 0.000 . 216 122 122 LEU N N 124.106 0.000 . 217 124 124 ALA H H 7.455 0.000 . 218 124 124 ALA N N 119.044 0.000 . 219 125 125 TRP H H 7.647 0.000 . 220 125 125 TRP HE1 H 9.815 0.000 . 221 125 125 TRP N N 116.224 0.000 . 222 125 125 TRP NE1 N 130.249 0.000 . 223 126 126 VAL H H 7.282 0.000 . 224 126 126 VAL N N 118.361 0.000 . 225 127 127 CYS H H 9.215 0.000 . 226 127 127 CYS N N 123.181 0.000 . 227 128 128 ASP H H 10.270 0.000 . 228 128 128 ASP N N 120.413 0.000 . 229 129 129 ARG H H 8.031 0.000 . 230 129 129 ARG N N 110.652 0.000 . 231 130 130 LEU H H 8.594 0.000 . 232 130 130 LEU N N 121.381 0.000 . 233 131 131 ALA H H 8.252 0.000 . 234 131 131 ALA N N 124.830 0.000 . 235 132 132 THR H H 8.702 0.000 . 236 132 132 THR N N 114.585 0.000 . 237 133 133 CYS H H 9.217 0.000 . 238 133 133 CYS N N 125.371 0.000 . 239 137 137 ALA H H 7.852 0.000 . 240 137 137 ALA N N 129.700 0.000 . 241 139 139 GLU H H 7.979 0.000 . 242 139 139 GLU N N 127.488 0.000 . 243 140 140 GLY H H 7.983 0.000 . 244 140 140 GLY N N 115.987 0.000 . 245 141 141 SER H H 7.836 0.000 . 246 141 141 SER N N 121.340 0.000 . 247 143 143 GLU H H 7.911 0.000 . 248 143 143 GLU N N 125.138 0.000 . stop_ save_ save_without_IgE _Saveframe_category assigned_chemical_shifts _Details '1H15N chemical shifts of start point of IgE titration' loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name derCD23 _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 4 4 VAL H H 8.336 0.000 . 2 4 4 VAL N N 121.911 0.000 . 3 5 5 CYS H H 7.993 0.000 . 4 5 5 CYS N N 129.515 0.000 . 5 6 6 ASN H H 8.602 0.000 . 6 6 6 ASN N N 123.956 0.000 . 7 7 7 THR H H 8.049 0.000 . 8 7 7 THR N N 116.633 0.000 . 9 8 8 CYS H H 9.328 0.000 . 10 8 8 CYS N N 126.701 0.000 . 11 10 10 GLU H H 8.532 0.000 . 12 10 10 GLU N N 121.671 0.000 . 13 11 11 LYS H H 8.790 0.000 . 14 11 11 LYS N N 115.176 0.000 . 15 12 12 TRP H H 8.501 0.000 . 16 12 12 TRP HE1 H 10.436 0.000 . 17 12 12 TRP N N 120.208 0.000 . 18 12 12 TRP NE1 N 132.234 0.000 . 19 13 13 ILE H H 9.857 0.000 . 20 13 13 ILE N N 120.842 0.000 . 21 14 14 ASN H H 9.084 0.000 . 22 14 14 ASN HD21 H 7.209 0.000 . 23 14 14 ASN HD22 H 6.433 0.000 . 24 14 14 ASN N N 125.589 0.000 . 25 14 14 ASN ND2 N 109.284 0.006 . 26 15 15 PHE H H 8.358 0.000 . 27 15 15 PHE N N 124.325 0.000 . 28 18 18 LYS H H 8.080 0.000 . 29 18 18 LYS N N 119.014 0.000 . 30 19 19 CYS H H 8.961 0.000 . 31 19 19 CYS N N 118.999 0.000 . 32 20 20 TYR H H 9.777 0.000 . 33 20 20 TYR N N 120.307 0.000 . 34 21 21 TYR H H 8.447 0.000 . 35 21 21 TYR N N 123.411 0.000 . 36 22 22 PHE H H 7.622 0.000 . 37 22 22 PHE N N 127.597 0.000 . 38 23 23 GLY H H 7.783 0.000 . 39 23 23 GLY N N 112.294 0.000 . 40 24 24 LYS H H 7.629 0.000 . 41 24 24 LYS N N 121.035 0.000 . 42 25 25 GLY H H 8.069 0.000 . 43 25 25 GLY N N 114.109 0.000 . 44 28 28 GLN H H 7.375 0.000 . 45 28 28 GLN N N 122.815 0.000 . 46 29 29 TRP H H 7.491 0.000 . 47 29 29 TRP HE1 H 10.449 0.000 . 48 29 29 TRP N N 122.887 0.000 . 49 29 29 TRP NE1 N 128.935 0.000 . 50 30 30 VAL H H 9.256 0.000 . 51 30 30 VAL N N 115.009 0.000 . 52 31 31 HIS H H 6.366 0.000 . 53 31 31 HIS N N 118.065 0.000 . 54 32 32 ALA H H 7.934 0.000 . 55 32 32 ALA N N 126.249 0.000 . 56 33 33 ARG H H 7.801 0.000 . 57 33 33 ARG N N 119.744 0.000 . 58 34 34 TYR H H 7.853 0.000 . 59 34 34 TYR N N 118.427 0.000 . 60 35 35 ALA H H 7.832 0.000 . 61 35 35 ALA N N 122.792 0.000 . 62 36 36 CYS H H 7.820 0.000 . 63 36 36 CYS N N 113.511 0.000 . 64 37 37 ASP H H 7.950 0.000 . 65 37 37 ASP N N 123.739 0.000 . 66 38 38 ASP H H 8.536 0.000 . 67 38 38 ASP N N 120.560 0.000 . 68 39 39 MET H H 7.429 0.000 . 69 39 39 MET N N 116.775 0.000 . 70 40 40 GLU H H 8.075 0.000 . 71 40 40 GLU N N 112.895 0.000 . 72 41 41 GLY H H 8.069 0.000 . 73 41 41 GLY N N 105.636 0.000 . 74 42 42 GLN H H 8.999 0.000 . 75 42 42 GLN HE21 H 7.900 0.000 . 76 42 42 GLN HE22 H 6.646 0.000 . 77 42 42 GLN N N 116.381 0.000 . 78 42 42 GLN NE2 N 112.031 0.001 . 79 43 43 LEU H H 8.589 0.000 . 80 43 43 LEU N N 124.878 0.000 . 81 44 44 VAL H H 8.448 0.000 . 82 44 44 VAL N N 121.032 0.000 . 83 45 45 SER H H 8.052 0.000 . 84 45 45 SER N N 120.794 0.000 . 85 46 46 ILE H H 3.484 0.000 . 86 46 46 ILE N N 117.841 0.000 . 87 47 47 HIS H H 8.756 0.000 . 88 47 47 HIS N N 120.850 0.000 . 89 48 48 SER H H 7.179 0.000 . 90 48 48 SER N N 111.718 0.000 . 91 50 50 GLU H H 8.880 0.000 . 92 50 50 GLU N N 118.806 0.000 . 93 51 51 GLU H H 7.821 0.000 . 94 51 51 GLU N N 121.470 0.000 . 95 52 52 GLN H H 7.718 0.000 . 96 52 52 GLN HE21 H 7.101 0.000 . 97 52 52 GLN HE22 H 6.483 0.000 . 98 52 52 GLN N N 118.032 0.000 . 99 52 52 GLN NE2 N 115.261 0.000 . 100 53 53 ASP H H 8.550 0.000 . 101 53 53 ASP N N 119.670 0.000 . 102 54 54 PHE H H 7.335 0.000 . 103 54 54 PHE N N 120.491 0.000 . 104 55 55 LEU H H 7.997 0.000 . 105 55 55 LEU N N 119.957 0.000 . 106 56 56 THR H H 8.975 0.000 . 107 56 56 THR N N 115.876 0.000 . 108 57 57 LYS H H 7.243 0.000 . 109 57 57 LYS N N 118.545 0.000 . 110 58 58 HIS H H 6.739 0.000 . 111 58 58 HIS N N 114.983 0.000 . 112 59 59 ALA H H 7.340 0.000 . 113 59 59 ALA N N 122.788 0.000 . 114 60 60 SER H H 8.621 0.000 . 115 60 60 SER N N 114.346 0.000 . 116 63 63 GLY H H 7.051 0.000 . 117 63 63 GLY N N 109.148 0.000 . 118 64 64 SER H H 8.501 0.000 . 119 64 64 SER N N 113.895 0.000 . 120 65 65 TRP H H 8.355 0.000 . 121 65 65 TRP HE1 H 10.307 0.000 . 122 65 65 TRP N N 124.399 0.000 . 123 65 65 TRP NE1 N 129.520 0.000 . 124 66 66 ILE H H 8.198 0.000 . 125 66 66 ILE N N 110.288 0.000 . 126 67 67 GLY H H 9.574 0.000 . 127 67 67 GLY N N 109.971 0.000 . 128 68 68 LEU H H 7.375 0.000 . 129 68 68 LEU N N 125.348 0.000 . 130 69 69 ARG H H 7.585 0.000 . 131 69 69 ARG N N 120.282 0.000 . 132 70 70 ASN H H 8.844 0.000 . 133 70 70 ASN N N 122.241 0.000 . 134 71 71 LEU H H 7.830 0.000 . 135 71 71 LEU N N 127.363 0.000 . 136 74 74 LYS H H 7.773 0.000 . 137 74 74 LYS N N 116.815 0.000 . 138 75 75 GLY H H 8.565 0.000 . 139 75 75 GLY N N 108.664 0.000 . 140 76 76 GLU H H 7.469 0.000 . 141 76 76 GLU N N 118.637 0.000 . 142 77 77 PHE H H 8.667 0.000 . 143 77 77 PHE N N 123.012 0.000 . 144 78 78 ILE H H 8.481 0.000 . 145 78 78 ILE N N 123.393 0.000 . 146 79 79 TRP H H 8.725 0.000 . 147 79 79 TRP HE1 H 10.171 0.000 . 148 79 79 TRP N N 129.988 0.000 . 149 79 79 TRP NE1 N 129.238 0.000 . 150 80 80 VAL H H 9.072 0.000 . 151 80 80 VAL N N 117.564 0.000 . 152 81 81 ASP H H 7.774 0.000 . 153 81 81 ASP N N 118.277 0.000 . 154 82 82 GLY H H 8.796 0.000 . 155 82 82 GLY N N 109.772 0.000 . 156 83 83 SER H H 8.530 0.000 . 157 83 83 SER N N 117.764 0.000 . 158 84 84 HIS H H 8.458 0.000 . 159 84 84 HIS N N 118.164 0.000 . 160 85 85 VAL H H 9.125 0.000 . 161 85 85 VAL N N 121.350 0.000 . 162 86 86 ASP H H 9.076 0.000 . 163 86 86 ASP N N 128.868 0.000 . 164 87 87 TYR H H 9.917 0.000 . 165 87 87 TYR N N 125.288 0.000 . 166 88 88 SER H H 7.186 0.000 . 167 88 88 SER N N 118.777 0.000 . 168 89 89 ASN H H 2.641 0.000 . 169 89 89 ASN HD21 H 7.076 0.000 . 170 89 89 ASN HD22 H 6.091 0.000 . 171 89 89 ASN N N 115.210 0.000 . 172 89 89 ASN ND2 N 112.123 0.005 . 173 90 90 TRP H H 7.441 0.000 . 174 90 90 TRP HE1 H 10.229 0.000 . 175 90 90 TRP N N 120.393 0.000 . 176 90 90 TRP NE1 N 127.952 0.000 . 177 91 91 ALA H H 9.413 0.000 . 178 91 91 ALA N N 126.198 0.000 . 179 94 94 GLU H H 7.951 0.000 . 180 94 94 GLU N N 119.259 0.000 . 181 104 104 CYS H H 8.482 0.000 . 182 104 104 CYS N N 118.236 0.000 . 183 105 105 VAL H H 7.471 0.000 . 184 105 105 VAL N N 119.853 0.000 . 185 106 106 MET H H 8.795 0.000 . 186 106 106 MET N N 120.878 0.000 . 187 107 107 MET H H 9.442 0.000 . 188 107 107 MET N N 119.621 0.000 . 189 108 108 ARG H H 9.105 0.000 . 190 108 108 ARG N N 125.165 0.000 . 191 111 111 GLY H H 8.299 0.000 . 192 111 111 GLY N N 112.044 0.000 . 193 112 112 ARG H H 7.273 0.000 . 194 112 112 ARG N N 116.201 0.000 . 195 113 113 TRP H H 8.410 0.000 . 196 113 113 TRP HE1 H 10.942 0.000 . 197 113 113 TRP N N 120.202 0.000 . 198 113 113 TRP NE1 N 130.027 0.000 . 199 114 114 ASN H H 9.221 0.000 . 200 114 114 ASN N N 116.492 0.000 . 201 115 115 ASP H H 9.245 0.000 . 202 115 115 ASP N N 122.889 0.000 . 203 116 116 ALA H H 9.544 0.000 . 204 116 116 ALA N N 127.217 0.000 . 205 117 117 PHE H H 8.461 0.000 . 206 117 117 PHE N N 119.363 0.000 . 207 118 118 CYS H H 9.017 0.000 . 208 118 118 CYS N N 120.485 0.000 . 209 119 119 ASP H H 8.595 0.000 . 210 119 119 ASP N N 117.194 0.000 . 211 120 120 ARG H H 7.924 0.000 . 212 120 120 ARG N N 122.541 0.000 . 213 121 121 LYS H H 8.472 0.000 . 214 121 121 LYS N N 122.042 0.000 . 215 122 122 LEU H H 7.978 0.000 . 216 122 122 LEU N N 123.840 0.000 . 217 124 124 ALA H H 7.455 0.000 . 218 124 124 ALA N N 119.044 0.000 . 219 125 125 TRP H H 7.661 0.000 . 220 125 125 TRP HE1 H 9.823 0.000 . 221 125 125 TRP N N 116.224 0.000 . 222 125 125 TRP NE1 N 130.160 0.000 . 223 126 126 VAL H H 7.303 0.000 . 224 126 126 VAL N N 118.148 0.000 . 225 127 127 CYS H H 9.216 0.000 . 226 127 127 CYS N N 123.113 0.000 . 227 128 128 ASP H H 10.277 0.000 . 228 128 128 ASP N N 120.328 0.000 . 229 129 129 ARG H H 8.000 0.000 . 230 129 129 ARG N N 110.649 0.000 . 231 130 130 LEU H H 8.580 0.000 . 232 130 130 LEU N N 121.357 0.000 . 233 131 131 ALA H H 8.263 0.000 . 234 131 131 ALA N N 124.718 0.000 . 235 132 132 THR H H 8.705 0.000 . 236 132 132 THR N N 114.567 0.000 . 237 133 133 CYS H H 9.221 0.000 . 238 133 133 CYS N N 125.258 0.000 . 239 137 137 ALA H H 7.847 0.000 . 240 137 137 ALA N N 129.580 0.000 . 241 139 139 GLU H H 7.979 0.000 . 242 139 139 GLU N N 127.488 0.000 . 243 140 140 GLY H H 7.983 0.000 . 244 140 140 GLY N N 115.987 0.000 . 245 141 141 SER H H 7.862 0.000 . 246 141 141 SER N N 121.292 0.000 . 247 143 143 GLU H H 7.911 0.000 . 248 143 143 GLU N N 125.138 0.000 . stop_ save_