*HEADER   PLASMINOGEN ACTIVATOR                   16-SEP-91   1PK2    
*COMPND   TISSUE-TYPE PLASMINOGEN ACTIVATOR (T-PA) (KRINGLE 2         
*COMPND  2 DOMAIN) (E.C.3.4.21.68) (NMR, BEST STRUCTURE)              
*SOURCE   HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED IN          
*SOURCE  2 (ESCHERICHIA COLI)                                         
*AUTHOR   M.LLINAS,I.-J.L.BYEON                                       
*REVDAT  1   31-JAN-94 1PK2    0                                      

List of NMR experimental constraints used for computing
the t-PA Kringle 2 structure.
-------------------------------------------------------

Torsion Angle Constraints
-------------------------

                                 angle (deg)                
                       lower bounds        upper bounds
Leu23-Pro24 w       175                 185
Asn41-Pro42 w       175                 185
Asn53-Pro54 w       175                 185
Lys60-Pro61 w       175                 185
Val77-Pro78 w       175                 185
                                        
Tyr2 f              -160                -80
Phe3 f              -160                -80
Asn5 f              -160                -80
Ser7 f              -90                 -30
Ala8 f              -90                 -30
Tyr9 f              -90                 -30
Arg10 f             -160                -80
Thr12 f             -160                -80
Ser14 f             -160                -80
Leu15 f             -160                -80
Thr16 f             -170                -70
Glu17 f             -90                 -30
Trp25 f             -90                 -30
Ser27 f             -90                 -30
Ile30 f             -90                 -30
Ile32 f             -90                 -30
Lys34 f             -160                -80
Thr37 f             -160                -80
Ala39 f             -90                 -30
Gln40 f             -160                -80
Asn41 f             -90                 -30
Ser43 f             -160                -80
Ala44 f             -90                 -30
Gln44a f            -90                 -30
Ala44b f            -90                 -30
Leu46 f             -160                -80
Lys48 f             -170                -70
His48a f            -170                -70
Asn49 f             -160                -80
Cys51 f             -90                 -30
Arg52 f             -160                -80
Asn53 f             -160                -80
Asp55 f             -160                -80
Ala58 f             -90                 -30
Lys60 f             -90                 -30
Trp62 f             -160                -80
His64 f             -170                -70
Val65 f             -160                -80
Leu66 f             -160                -80
Lys66a f            -160                -80
Asn67 f             -90                 -30
Arg69 f             -170                -70
Glu73 f             -170                -70
Cys75 f             -170                -70
Asp76 f             -160                -80
Thr82 f             -170                -70
                                        
Asp-1 c1            -75                 -45
Cys1 c1             45                  75
Tyr2 c1             45                  75
Asn5 c1             45                  75
Ser7 c1             45                  75
Tyr9 c1             165                 195
Ser14 c1            45                  75
Glu17 c1            45                  75
Ser18 c1            45                  75
Leu23 c1            -75                 -45
Trp25 c1            -75                 -45
Ser27 c1            165                 195
Val35 c1            165                 195
Gln40 c1            -75                 -45
Asn41 c1            165                 195
Ser43 c1            -75                 -45
Leu46 c1            -75                 -45
His48a c1           45                  75
Asn49 c1            45                  75
Tyr50 c1            -75                 -45
Cys51 c1            -75                 -45
Asn53 c1            -75                 -45
Lys60 c1            45                  75
Trp62 c1            45                  75
Cys63 c1            45                  75
His64 c1            -75                 -45
Val65 c1            -75                 -45
Arg69 c1            165                 195
Leu70 c1            165                 195
Trp72 c1            45                  75
Cys75 c1            165                 195

NOTE:  Because of the inability to use greek letters to represent
the angles in the above format, the following symbols are used:

	lower case (l.c.) omega = w
	l.c. phi			= f
	upper case chi 1		= c1

Distance Restraints
-------------------
                                                 distance 
                                                    (_)
residue   atom           residue   atom            upper 
                                                   bounds
Asp-1     NH             Asp-1     CHb2          5.0
Asp-1     NH             Asp-1     CHb3          3.5
Asp-1     CHb3           Cys1      NH            5.0
Asp-1     HA             Cys1      NH            2.7
Cys1      NH             Cys1      Cb            6.0
Cys1      Cb             Tyr2      NH            3.7
Cys1      Cb             Cys80     NH            3.7
Cys1      CHa            Tyr2      NH            2.7
Cys1      CHa            Val77     Cb            4.6
Cys1      CHa            Pro78     Cb            6.0
Cys1      CHa            Pro78     Cg            4.5
Cys1      CHa            Pro78     Cd            4.5
Tyr2      NH             Tyr2      Cb            4.5
Tyr2      NH             Tyr2      Cg            4.7
Tyr2      Cb             Tyr2      Cz            8.0
Tyr2      CHa            Tyr2      Cg            7.0
Tyr2      Cb             Gly6      NH            6.0
Tyr2      Cg             Gly6      NH            4.7
Tyr2      Cz             Gly6      NH            7.0
Tyr2      NH             Val77     Cb            6.4
Tyr2      HN             Ser79     CHa           2.7
Tyr2      Cb             Phe3      NH            3.7
Tyr2      CHa            Phe3      NH            2.7
Tyr2      Cg             Phe3      NH            7.0
Tyr2      Cg             Asn5      NH            8.0
Tyr2      Cz             Val77     Cb            8.4
Tyr2      Cg             Asn5      CHa           5.5
Tyr2      Cz             Asn5      Cb            6.5
Tyr2      Cg             Pro61     Cd            8.0
Tyr2      Cz             Pro61     Cd            8.0
Tyr2      Cg             Gly6      Ca            5.7
Tyr2      Cg             Ser79     CHa           5.5
Tyr2      Cg             Pro61     Cg            8.0
Tyr2      Cg             Val77     Cb            7.6
Tyr2      Cg             Val77     CHb           4.7
Tyr2      Cz             Val77     CHb           5.5
Tyr2      Cz             Ser79     Cb            8.0
Tyr2      Cz             Ser79     CHa           7.0
Tyr2      Cz             Asn5      CHa           5.5
Tyr2      CHa            Gly6      Ca            6.0
Tyr2      Cb             Gly6      Ca            5.5
Phe3      NH             Phe3      Cb            4.5
Phe3      Cg             Phe3      CHa           5.5
Phe3      NH             Phe3      Cg            7.0
Phe3      Cb             Gly4      NH            6.0
Phe3      CHa            Gly4      NH            2.7
Phe3      Cg             Gly4      NH            7.0
Phe3      Cz             Ala8      Cb            8.5
Phe3      CHz            Ala8      Cb            6.5
Gly4      Ca             Gly6      NH            6.0
Gly4      Ca             Asn5      HN            3.7
Asn5      NH             Asn5      Cb            6.0
Asn5      NH             Gly6      NH            3.5
Asn5      Cb             Ala58     CHa           6.0
Asn5      CHa            Lys60     CHa           5.0
Asn5      CHa            Gly6      NH            3.5
Asn5      Cb             Asn53     Nd            5.5
Gly6      NH             Ser7      NH            3.5
Gly6      Ca             Tyr9      NH            6.0
Gly6      Ca             Ser7      NH            4.5
Ser7      NH             Ser7      Cb            4.5
Ser7      NH             Ala8      NH            5.0
Ser7      CHa            Asn53     CHb2          3.5
Ser7      CHa            Asn53     CHb3          5.0
Ala8      Cb             Tyr9      NH            6.5
Ala8      NH             Tyr9      NH            5.0
Tyr9      NH             Tyr9      CHb2          2.7
Tyr9      NH             Tyr9      CHb3          2.7
Gly11     Ca             Thr12     NH            3.7
Thr12     NH             Thr12     Cg2           5.0
Thr12     CHa            Thr12     Cg2           4.2
Thr12     CHa            His13     NH            3.5
Thr12     Cg2            Tyr50     Cz            6.2
Thr12     CHa            Tyr50     Cz            7.0
Thr12     CHa            Tyr50     Cg            5.5
Thr12     CHb            Tyr50     Cg            7.0
Thr12     Cg             Tyr50     Cg            8.5
Thr12     CHb            Tyr50     Cz            5.5
His13     Cb             His13     CH4           4.5
His13     Cb             His13     NH            3.7
His13     CHa            Ser14     NH            5.0
His13     CH4            Val77     Cb            5.6
His13     CH4            Cys75     CHb3          2.7
His13     CH4            Cys75     CHa           5.0
His13     CH4            Leu15     NH            2.7
His13     CH4            Asp76     NH            5.0
His13     NH             Val77     Cb            7.9
His13     CHe            Leu15     Cb            6.0
His13     Cb             Val77     Cb            8.9
Ser14     CHa            Cys51     NH            5.0
Ser14     NH             Leu15     NH            2.7
Ser14     Cb             Tyr50     Cg            8.0
Ser14     CHa            Tyr50     CHa           5.0
Ser14     CHa            Tyr50     Cg            7.0
Ser14     CHa            Leu15     NH            5.0
Ser14     CHa            Tyr50     CHb3          5.0
Ser14     CHa            Tyr50     CHb2          5.0
Leu15     Cg             Thr16     NH            7.9
Leu15     Cb             Thr16     NH            4.5
Leu15     CHa            Thr16     NH            2.7
Leu15     Cg             Cys22     NH            6.4
Leu15     CHa            Cys22     NH            3.5
Leu15     CHa            Ser21     CHa           2.7
Leu15     Cg             Ser21     CHa           5.6
Leu15     CHa            Thr16     Cg            6.5
Leu15     Cg             Glu73     NH            7.9
Leu15     NH             Leu15     Cb            3.7
Thr16     Cg             Glu17     NH            6.5
Thr16     CHa            Glu17     NH            2.7
Thr16     CHb            Glu17     NH            2.7
Thr16     CHa            Cys75     CHa           2.7
Thr16     CHa            Cys75     CHb3          5.0
Thr16     Cg             Val75     Cb            9.4
Thr16     CHb            Cys75     CHa           3.5
Thr16     NH             Ala20     NH            5.0
Thr16     CHa            Asp76     NH            5.0
Thr16     NH             Ser21     CHa           5.0
Thr16     CHg            Ala20     Cb            4.2
Thr16     CHg            Glu73     Cb            6.0
Thr16     Cg             Glu73     NH            6.5
Thr16     Cg             Glu73     Cb            7.5
Thr16     NH             Thr16     Cg            4.2
Thr16     CHa            Thr16     Cg            4.2
Glu17     NH             Glu17     Cb            4.5
Glu17     NH             Glu17     Cg            6.0
Glu17     NH             Glu73     Cb            4.5
Glu17     NH             Cys75     CHa           2.7
Glu17     CHa            Gly19     NH            5.0
Glu17     CHa            Asp76     Cb            4.5
Glu17     NH             Ser18     NH            3.5
Glu17     Cb             Ser18     NH            4.5
Glu17     CHa            Ser18     NH            5.0
Ser18     NH             Gly19     NH            3.5
Ser18     NH             Ser18     Cb            6.0
Gly19     NH             Ala20     NH            2.7
Gly19     Ca             Ala20     NH            6.0
Ala20     NH             Ala20     Cb            4.2
Al20      Cb             Ser21     NH            4.2
Ala20     CHa            Ser21     NH            2.7
Ser21     NH             Ser21     Cb            3.7
Ser21     Cb             Cys22     NH            4.5
Ser21     CHa            Cys22     NH            2.7
Cys22     NH             Cys22     Cb            3.7
Cys22     Cb             Leu23     NH            6.0
Cys22     CHa            Leu23     NH            5.0
Leu23     NH             Leu23     CHg           2.7
Leu23     NH             Leu23     CHb3          5.0
Leu23     NH             Leu23     CHb2          2.7
Leu23     CHg            Leu66     NH            5.0
Leu23     Cg             Leu31     Cg            10.8
Leu23     CHg            Leu31     Cg            6.4
Leu23     Cg             Leu66     Cb            7.4
Leu23     Cg             His64     CHb2          7.9
Leu23     Cg             His64     CHb3          6.4
Leu23     CHa            Pro24     Cd            3.7
Leu23     Cg             Pro24     Cd            7.4
Leu23     NH             Val65     Cb            6.4
Leu23     CHg            His64     CHe           5.0
Pro24     Cb             Asn26     NH            4.5
Pro24     Cb             Trp25     NH            6.0
Pro24     CHa            Trp25     NH            2.7
Pro24     CHa            Asn49     CHa           2.7
Pro24     Cb             Ser27     NH            4.5
Trp25     NH1            Trp25     CH7           3.5
Trp25     CHb3           Trp25     CH4           3.5
Trp25     NH             Trp25     CHb3          5.0
Trp25     NH             Trp25     CHb2          2.7
Trp25     CHb2           Trp25     CH4           5.0
Trp25     NH             Trp25     CH2           3.5
Trp25     CHb3           Trp25     CH2           3.5
Trp25     CHb2           Trp25     CH2           2.7
Trp25     NH1            Leu46     Cg            7.9
Trp25     NH1            Arg52     Cg            6.0
Trp25     NH1            Arg52     Cb            7.0
Trp25     NH1            Tyr50     Cb            6.0
Trp25     NH1            Asn49     CHa           5.0
Trp25     NH1            Tyr50     NH            3.5
Trp25     CH2            Tyr50     NH            3.5
Trp25     NH1            His48a    CH2           2.7
Trp25     CH7            Arg52     NH            3.5
Trp25     NH             Asn26     NH            6.0
Trp25     CH5            Leu46     Cg            7.9
Trp25     CH4            Leu46     Cg            6.4
Trp25     CH4            Leu31     Cg            6.4
trp25     CH7            Leu46     Cg            7.9
Trp25     CH7            Arg52     Cb            3.7
Trp25     CH7            Arg52     Cg            6.0
Trp25     CHb3           Ala39     NH            2.7
Trp25     CH7            Arg52     Cg            4.5
Trp25     CH4            Thr37     CHb           5.0
Trp25     NH             Asn49     CHa           5.0
Trp25     CH4            Thr37     CHa           2.7
Trp25     CH7            Arg52     CHa           5.0
Trp25     CH7            Cys63     CHa           5.0
Trp25     CH6            Cys63     CHa           2.7
Trp25     CH5            Trp62     CH5           5.0
Trp25     CH4            His64     CH4           3.5
Trp25     CH2            His48a    CH2           5.0
Trp25     NH             His48a    NH            5.0
Trp25     CH2            Leu53     Cg            7.9
Trp25     CH2            Leu53     CHb3          6.0
Trp25     CH2            Tyr50     CHb2          5.0
Trp25     CH2            Leu46     CHa           6.0
Trp25     CH5            Tyr36     Cb            6.0
Trp25     CH2            Gly47     NH            3.5
Trp25     CH2            Asn49     CHa           3.5
Trp25     CH6            Leu46     Cg            7.9
Trp25     CH6            Arg52     Cb            6.0
Trp25     CHb2           Thr37     CHa           5.0
Trp25     CHb3           Thr37     CHa           3.5
Trp25     CHa            Thr37     CHa           5.0
Trp25     CHb2           Gly47     NH            3.5
Trp25     CHb2           Ala39     NH            6.0
Trp25     CHa            Ala39     NH            5.0
Trp25     CHa            Leu31     Cg            5.6
Trp25     CH7            Arg52     Cd            4.5
Trp25     CHb3           Leu53     CHb3          5.0
Asn26     NH             Asn26     Cb            4.5
Asn26     NH             Ala39     Cb            6.5
Asn26     CHa            Ala39     NH            3.5
Asn26     CHa            Ser27     NH            3.5
Asn26     NH             Ser27     NH            2.7
Asn26     Nd             Lys48     Cg            7.0
Asn26     Nd             Lys48     Cb            7.0
Asn26     Nd             Lys48     CHa           6.0
Asn26     CHa            Ala39     Cb            4.2
Asn26     Cb             Ala39     Cb            5.2
Asn26     Cb             Ser27     CHa           6.0
Asn26     Cb             Ser27     NH            7.0
Ser27     NH             Ser27     CHb3          2.7
Ser27     NH             Ser27     CHb2          2.7
Ser27     CHa            Met28     NH            3.5
Ser27     NH             Leu31     Cg            5.6
Ser27     NH             Leu31     Cb            6.0
Met28     CHa            Ile30     NH            6.0
Ile30     NH             Ile30     Cg2           5.0
Ile30     NH             Ile30     Cg1           4.5
Ile30     NH             Ile30     CHb           2.7
Ile30     NH             Leu31     NH            3.5
Ile30     CHa            Leu31     NH            6.0
Ile30     CGg2           Leu31     NH            6.5
Leu31     NH             Leu31     CHg           2.7
Leu31     NH             Leu31     Cb            3.7
Leu31     Cg             His64     CH4           6.4
Leu31     Cb             Ile32     NH            6.0
Leu31     CHa            Ile32     NH            6.0
Leu31     Cg             Leu70     Cg            8.5
Leu31     Cg             His64     CHb2          6.4
Leu31     Cg             His64     CHb3          6.4
Leu31     CHa            Leu70     Cg            7.9
Leu31     CHg            Leu70     Cg            8.9
Leu31     NH             Ile32     NH            6.0
Leu31     Cg             His64     CH2           7.9
Leu31     Cg             Thr37     CHa           6.4
Ile32     NH             Ile32     Cg1           4.5
Ile32     NH             Ile32     CHb           2.7
Ile32     NH             Ile32     Cg2           4.2
Ile32     Cg2            Gly33     NH            5.0
Ile32     CHa            Gly33     NH            2.7
Ile32     CHa            Lys34     NH            5.0
Gly33     NH             Lys34     NH            3.5
Gly33     Ca             Lys34     NH            6.0
Lys34     NH             Lys34     Cg            4.5
Lys34     NH             Lys34     Cb            3.7
Lys34     Ce             Leu70     Cg            7.4
Lys34     Cb             Val35     NH            6.0
Lys34     CHa            Val35     NH            2.7
Lys34     Cg             His64     Ne            7.0
Lys34     Cb             His64     Ne            7.0
Val35     NH             Val35     CHb           3.5
Val35     Cb             Asn41     Nd            7.4
Val35     Cb             Tyr36     Cg            8.4
Val35     Cb             Tyr36     Cz            8.4
Val35     NH             Tyr36     NH            5.0
Val35     Cb             His64     Ne            8.9
Val35     CHb            His64     Ne            3.5
Val35     CHb            Tyr36     Cg            5.5
Val35     NH             His64     Ne            6.0
Tyr36     Cz             Leu46     Cg            9.9
Tyr36     Cg             Leu46     Cg            7.6
Tyr36     Cz             Asp55     Cb            5.7
Tyr36     CHa            Thr37     NH            2.7
Tyr36     Cg             His64     Ne            6.5
Tyr36     Cz             Leu44c    Cg            8.4
Tyr36     Cg             Leu44c    Cg            7.6
Tyr36     Cb             Trp62     CH7           6.0
Tyr36     Cb             Trp62     CH6           3.7
Tyr36     Cb             Trp62     CH5           6.0
Tyr36     Cg             Trp62     CH7           7.0
Tyr36     Cb             His64     Ne            5.5
Tyr36     Cb             Leu46     Cg            7.4
Thr37     NH             Thr37     Cg            5.0
Thr37     NH             Leu46     Cg            6.4
Thr37     CHb            Ala39     NH            2.7
Thr37     CHb            Gln40     NH            5.0
Thr37     CHa            Ala39     NH            2.7
Thr37     NH             Asn41     CHb2          2.7
Thr37     NH             Asn41     CHb3          5.0
Thr37     CHa            Leu46     Cg            6.4
Thr37     NH             Leu44c    CHa           5.0
Ala39     NH             Ala39     Cb            4.2
Ala39     Cb             Gln40     NH            5.0
Ala39     CHa            Ala44     Cb            4.2
Ala39     CHa            Leu46     CHb2          5.0
Ala39     Cb             Asn41     NH            6.5
Ala39     Cb             Gly47     NH            6.5
Ala39     CHa            Asn41     NH            3.5
Ala39     CHa            Leu46     CHb3          5.0
Gln40     NH             Gln40     CHb3          5.0
Gln40     NH             Gln40     CHb2          2.7
Gln40     NH             Gln40     Cg            6.0
Gln40     CHb3           Asn41     NH            5.0
Gln40     CHb2           Asn41     NH            5.0
Gln40     CHa            Asn41     NH            3.5
Gln40     NH             Asn41     NH            2.7
Asn41     NH             Asn41     CHb2          2.7
Asn41     NH             Asn41     CHb3          2.7
Asn41     NH             Leu46     Cg            7.9
Asn41     CHb3           Ala44     NH            3.5
Asn41     CHb2           Ala44     NH            5.0
Asn41     CHa            Pro42     Cd            3.7
Asn41     CHb3           Ala44     Cb            6.5
Asn41     CHb2           Ala44     Cb            6.5
Asn41     NH             Ala44     Cb            4.2
Asn41     CHb3           Ser43     NH            6.0
Pro42     Cd             Ser43     NH            6.0
Pro42     Cg             Ser43     NH            4.5
Ser43     NH             Ser43     CHb2          2.7
Ser43     NH             Leu44c    Cg            8.9
Ser43     CHb3           Ala44     NH            5.0
Ser43     CHa            Ala44b    NH            5.0
Ser43     CHa            Ala44b    Cb            6.5
Ser43     NH             Ala44     NH            2.7
Ala44     NH             Ala44     Cb            4.2
Ala44     Cb             Gln44a    NH            4.2
Ala44     NH             Gln44a    NH            3.5
Ala44     Cb             Leu46     NH            6.5
Ala44     CHa            Leu44c    NH            5.0
Ala44     Cb             Leu46     Cg            9.4
Ala44     CHa            Leu46     Cg            6.4
Ala44     CHa            Leu44c    Cb            4.5
Ala44     Cb             Leu46     CHb2          7.5
Gln44a    NH             Gln44a    Cb            3.7
Gln44a    NH             Ala44b    NH            3.5
Gln44a    CHa            Leu46     NH            5.0
Gln44a    CHa            Gly45     NH            5.0
Gln44a    Cb             Ala44b    NH            3.7
Ala44b    NH             Ala44b    Cb            4.2
Ala44b    Cb             Leu44c    NH            4.2
Ala44b    CHa            Leu44c    NH            3.5
Ala44b    NH             Leu44c    NH            2.7
Leu44c    NH             Leu44c    CHg           2.7
Leu44c    HN             Gly45     NH            3.5
Gly45     Ca             Leu46     NH            4.5
Gly45     Ca             Arg52     CHe           6.0
Gly45     NH             Leu46     NH            2.7
Leu46     NH             Leu46     CHb3          3.5
Leu46     NH             Leu46     CHb2          2.7
Leu46     Cg             His48a    CH2           6.4
Leu46     Cg             Arg52     Cg            6.6
Leu46     Cg             Arg52     Cb            6.6
Leu46     CHa            His48a    CH2           2.7
Leu46     Cg             Gly47     NH            7.9
Leu46     CHb3           Gly47     NH            3.5
Leu46     CHa            Gly47     NH            2.7
Leu46     CHb2           Gly47     NH            5.0
Gly47     Ca             Lys48     NH            4.5
Gly47     NH             His48a    CH2           3.5
Gly47     Ca             His48a    CH4           4.5
Lys48     NH             Lys48     Cg            4.5
Lys48     NH             Lys48     Cb            4.5
Lys48     CHa            His48a    NH            2.7
Lys48     Cb             His48a    NH            6.0
His48a    CH4            His48a    Cb            4.5
His48a    Cb             Tyr50     NH            6.0
His48a    CH2            Tyr50     CHb2          2.7
His48a    CH2            Tyr50     CHb3          3.5
His48a    CH2            Arg52     Cg            3.7
His48a    CH2            Tyr50     Cg            7.0
His48a    Cb             Asn49     NH            3.7
His48a    Cb             Tyr50     Cz            6.5
His48a    CH4            Tyr50     Cg            7.0
His48a    CHa            Asn49     HN            2.7
His48a    CH2            Tyr50     NH            3.5
His48a    Cb             Tyr50     Cg            8.0
His48a    CH2            Arg52     Cg            3.7
Asn49     CHb2           Asn49     Nd            3.7
Asn49     CHb3           Asn49     Nd            6.0
Asn49     CHa            Tyr50     NH            3.5
Asn49     NH             Tyr50     NH            3.5
Tyr50     NH             Tyr50     CHb2          2.7
Tyr50     NH             Tyr50     CHb3          5.0
Tyr50     CHb3           Cys51     NH            3.5
Tyr50     CHa            Cys51     NH            2.7
Tyr50     Cg             Cys51     NH            7.0
Cys51     CHb2           Cys51     NH            2.7
Cys51     CHb3           Cys51     NH            3.5
Cys51     CHb2           Arg52     NH            5.0
Cys51     CHa            Arg52     NH            2.7
Cys51     CHa            Cys63     Cb            4.5
Arg52     NH             Arg52     Cb            4.5
Arg52     CHa            Arg52     Cd            4.5
Arg52     NH             Trp62     NH            3.5
Arg52     Cb             Asn53     NH            4.5
Arg52     Ca             Asn53     NH            2.7
Asn53     CHb3           Asn53     NH            5.0
Asn53     CHb2           Asn53     NH            3.5
Asn53     CHb3           Asn53     Nd            4.5
Asn53     CHb2           Asn53     Nd            3.7
Asn53     CHa            Trp62     NH1           2.7
Asn53     CHa            Trp62     CH2           2.7
Asn53     CHa            Pro54     Cd            3.7
Asn53     CHa            Pro61     CHa           5.0
Asn53     CHb2           Pro61     CHa           3.5
Asn53     CHb3           Pro61     CHa           3.5
Asn53     CHb2           Trp62     CH4           5.0
Asn53     CHb3           Trp62     CH4           5.0
Asn53     Nd             Asp57     NH            4.5
Pro54     Cd             Trp62     NH1           3.7
Pro54     Cd             Trp62     CH7           3.7
Pro54     Cg             Trp62     CH7           3.7
Pro54     Cd             Asp55     NH            4.5
Pro54     Cg             Asp55     NH            4.5
Asp55     NH             Asp55     Cb            4.5
Asp55     NH             Gly56     NH            2.7
Asp55     NH             Trp62     NH1           3.5
Gly56     Ca             Asp57     NH            4.5
Gly56     NH             Asp57     NH            2.7
Asp57     NH             Asp57     Cb            3.7
Asp57     Cb             Trp62     NH1           4.5
Asp57     CHa            Ala58     HN            2.7
Asp57     Cb             Ala58     NH            4.5
Asp57     Cb             Trp62     CH2           3.7
Asp57     Cb             Tyr74     Cz            6.5
Asp57     NH             Trp62     NH1           5.0
Ala58     NH             Ala58     Cb            4.2
Ala58     NH             Lys60     NH            3.5
Ala58     NH             Tyr74     Cz            5.5
Ala58     Cb             Lys60     NH            4.2
Ala58     CHa            Lys60     NH            3.5
Ala58     NH             Trp62     CH2           5.0
Lys60     NH             Lys60     Cb            4.5
Lys60     Cb             Tyr74     Cg            5.7
Lys60     Cb             Tyr74     Cz            8.0
Lys60     Cg             Tyr74     Cg            5.7
Lys60     Cg             Tyr74     Cz            5.7
Lys60     CHa            Pro61     Cd            3.7
Pro61     Cb             Trp62     NH            6.0
Pro61     CHa            Trp62     NH            2.7
Pro61     CHa            Trp62     CH2           2.7
Trp62     NH1            Trp62     CH7           3.5
Trp62     NH             Trp62     CH2           3.5
Trp62     Cb             Trp62     CH2           3.7
Trp62     Cb             Trp62     CH4           4.5
Trp62     Cb             Cys75     NH            6.0
Trp62     CHa            Cys75     NH            2.7
Trp62     CH4            Cys63     NH            2.7
Trp62     Cb             Cys63     NH            3.7
Trp62     CHa            Cys63     NH            2.7
Trp62     CH4            Glu73     NH            5.0
Trp62     CH2            Trp72     CH5           6.0
Trp62     CH2            Tyr74     Cg            7.0
Trp62     CH2            Tyr74     Cz            7.0
Trp62     CH4            Trp72     Cb            3.7
Trp62     Cb             Tyr74     Cg            5.7
Trp62     Cb             Tyr74     Cz            8.0
Trp62     Cb             Trp72     CH4           3.7
Trp62     CHa            Tyr74     Cg            7.0
Trp62     CH4            Trp72     CHa           3.5
Trp62     CH4            Cys63     CHa           3.5
Trp62     CH5            Trp72     Cb            6.0
Trp62     Cb             Trp72     CH5           4.5
Trp62     CHa            Glu73     Cb            6.0
Trp62     CHa            Tyr74     CHa           2.7
Trp62     Cb             Tyr74     CHa           3.7
Trp62     CH5            His64     CH2           5.0
Cys63     NH             Trp72     CH4           5.0
Cys63     Cb             His64     NH            4.5
Cys63     Ca             His64     NH            3.5
Cys63     NH             Tyr74     NH            6.0
Cys63     NH             Glu73     NH            5.0
Cys63     NH             Tyr74     CHa           5.0
His64     NH             His64     CHb2          2.7
His64     NH             His64     CHb3          5.0
His64     CHb2           His64     CH4           3.5
His64     CHb3           His64     CH4           3.5
His64     CHb3           Val65     NH            3.5
His64     CHb2           Val65     HN            5.0
His64     CHa            Val65     NH            2.7
His64     CHa            Glu73     NH            5.0
His64     CHa            Trp72     CH2           6.0
His64     CHa            Trp72     Cb            4.5
His64     CHb3           Trp72     CHa           6.0
His64     CHa            Trp72     CHa           2.7
Val65     NH             Val65     Cb            5.6
Val65     Cb             Thr71     NH            7.9
Val65     NH             Thr71     NH            3.5
Val65     Cb             Glu73     NH            7.9
Val65     Cb             Leu66     NH            6.4
Val65     CHb            Leu66     NH            2.7
Val65     Cb             Trp72     CHa           5.6
Val65     Cb             Thr71     Cg            9.4
val65     Cb             Glu73     Cb            8.9
Val65     NH             Trp72     CHa           2.7
Val65     CHa            Leu66     NH            3.5
Leu66     NH             Leu66     Cb            3.7
Leu66     CHa            Thr71     NH            5.0
Leu66     CHa            Lys66a    NH            2.7
Leu66     Cg             Leu70     CHa           5.6
Leu66     CHa            Leu70     CHa           2.7
Leu66     Cg             Lys66a    NH            6.4
Leu66     Cg             Leu70     NH            7.9
Lys66a    NH             Lys66a    Cb            3.7
Lys66a    NH             Arg69     NH            3.5
Lys66a    NH             Thr71     Cg            5.0
Lys66a    NH             Leu70     CHa           6.0
Asn67     Cb             Arg68     NH            6.0
Asn67     CHa            Arg68     NH            3.5
Asn67     CHa            Arg69     NH            6.0
Arg68     NH             Arg68     Cg            4.5
Arg68     CHa            Arg68     Cg            4.5
Arg68     NH             Arg69     NH            3.5
Arg68     CHa            Arg69     NH            5.0
Arg69     NH             Arg69     CHb3          2.7
Arg69     NH             Arg69     Cg            6.0
Arg69     NH             Arg69     CHb2          3.5
Arg69     CHb2           Leu70     NH            3.5
Arg69     CHa            Leu70     NH            3.5
Leu70     NH             Leu70     CHb2          2.7
Leu70     NH             Leu70     CHb3          2.7
Leu70     CHb2           Thr71     NH            5.0
Leu70     CHb3           Thr71     NH            5.0
Leu70     CHg            Thr71     NH            5.0
Leu70     CHa            Thr71     NH            2.7
Leu70     NH             Thr71     NH            5.0
Leu70     Cg             Thr71     CHa           7.9
Leu70     Cg             Thr71     NH            5.6
Thr71     NH             Thr71     Cg            4.2
Thr71     CHb            Trp72     NH            3.5
Thr71     CHa            Trp72     NH            2.7
Thr71     CHa            Trp72     CH2           3.5
Thr71     Cg             Trp72     CHa           6.5
Thr71     Cg             Trp72     NH            4.2
Trp72     CH7            Trp72     NH1           2.7
Trp72     NH             Trp72     CH2           3.5
Trp72     Cb             Trp72     CH4           3.7
Trp72     Cb             Trp72     CH2           3.7
Trp72     Cb             Glu73     NH            4.5
Trp72     CHa            Glu73     NH            2.7
Trp72     CH4            Glu73     NH            3.5
Trp72     CH4            Glu73     CHa           3.5
Trp72     CH5            Tyr74     Cg            5.5
Trp72     CH5            Tyr74     Cz            4.7
Trp72     CH5            Glu73     CHa           5.0
Glu73     NH             Glu73     Cb            4.5
Glu73     CHa            Tyr74     NH            2.7
Glu73     Cb             Tyr74     NH            3.7
Tyr74     NH             Tyr74     Cb            3.7
Tyr74     Cb             Cys75     NH            6.0
Tyr74     CHa            Cys75     NH            2.7
Tyr74     Cg             Cys75     NH            7.0
Cys75     NH             Cys75     CHb2          2.7
Cys75     NH             Cys75     CHb3          2.7
Cys75     CHa            Asp76     NH            2.7
Cys75     CHb3           Asp76     NH            3.5
Cys75     CHb3           Val77     NH            5.0
Cys75     CHb2           Val77     Cb            5.6
Cys75     CHb3           Val77     Cb            6.4
Cys75     CHb2           Val77     NH            5.0
Asp76     NH             Asp76     Cb            4.5
Asp76     CHa            Val77     NH            2.7
Val77     NH             Val77     CHb           2.7
Val77     NH             Val77     Cb            5.6
Val77     Cb             Pro78     Cd            7.4
Val77     CHa            Pro78     Cd            3.7
Pro78     Cb             Ser79     NH            6.0
Pro78     CHa            Ser79     NH            2.7
Ser79     CHa            Cys80     NH            2.7
Ser79     Cb             Cys80     NH            6.0
Cys80     NH             Cys80     Cb            3.7
Cys80     Cb             Ser81     NH            6.0
Cys80     CHa            Ser81     NH            3.5
SEr81     NH             Ser81     Cb            4.5
Ser81     CHa            Thr82     NH            4.5
Tyr36     Cz             6-AHA     Ca            8.0
Tyr36     Cg             6-AHA     Ca            8.0
Tyr36     Ca             6-AHA     Cb            8.0
Trp62     CH6            6-AHA     Cb            4.5
Trp62     CH6            6-AHA     Ca            4.5
Trp62     CH5            6-AHA     Cb            6.0
Trp62     CH5            6-AHA     Ca            6.0
His64     CH2            6-AHA     Cg            4.5
His64     CH2            6-AHA     Cb            3.7
His64     CH2            6-AHA     Ca            3.7
Trp72     CH2            6-AHA     Cg            4.5
Trp72     CH2            6-AHA     Ca            4.5
Trp72     CH2            6-AHA     Cb            4.5
Trp72     NH1            6-AHA     Cg            6.0
                                                 
Thr16     NH             Ala20     O             2.2b
Thr16     N              Ala20     O             3.4b
Trp25     NH             His48a    O             2.2b
Trp25     N              His48a    O             3.4b
Ser43     O              Leu44c    NH            2.2b
Ser43     O              Leu44c    N             3.4b
Ala44     O              Gly45     NH            2.2b
Ala44     O              Gly45     N             3.4b
Arg52     O              Trp62     NH            2.2b
Arg52     O              Trp62     N             3.4b
Cys63     NH             Glu73     O             2.2b
Cys63     N              Glu73     O             3.4b
Cys63     O              Glu73     NH            2.2b
Cys63     O              Glu73     N             3.4b
Val65     NH             Thr71     O             2.2b
Val65     N              Thr71     O             3.4b
Val65     O              Thr71     NH            2.2b
Val65     O              Thr71     N             3.4b
Lys66a    NH             Arg69     O             2.2b
Lys66a    N              Arg69     O             3.4b
Lys66a    O              Arg69     NH            2.2b
Lys66a    O              Arg69     N             3.4b
                                                 
Cys1      Sg             Cys80     Sg            2.12c
Cys22     Sg             Cys63     Sg            2.12c
Cys51     Sg             Cys75     Sg            2.12c

Distance upper bounds derived from NOE intensities unless 
otherwise indicated.  Lower bounds are 1.8 Angstroms for NOE-derived 
distances.

Estimated from secondary structure H-bonds (Byeon et al.,1991a): 
lower bounds are 1.6 Angstroms for O-NH atom pairs, and 2.4 Angstroms
for O-N atom pairs. 

Estimated from kringle 2 disulfide bonds: lower bounds are 
1.92 Angstroms for Sg-Sg bonds.

NOTE ON NOTATION:
Because of the inability to use greek letters to represent
the names of some atoms, ie, alpha carbon, the first letter of the 
lower-case english spelling of the greek letter is used in place of
the greek letter.  For example, the alpha carbon is represented as
Ca, a gamma sulphur is represented Sg, the hydrogen on the alpha 
carbon is represented CHa, etc.



  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 668 H/Q atoms
    1   1H    SER   1           HT1      SER   1  21.896   2.056  -4.456
    2   2H    SER   1           HT2      SER   1  20.961   1.852  -5.862
    3   3H    SER   1           HT3      SER   1  21.114   3.394  -5.161
    4    HA   SER   1           HA       SER   1  22.732   3.739  -6.641
    5   1HB   SER   1           HB1      SER   1  24.262   3.560  -4.787
    6   2HB   SER   1           HB2      SER   1  24.939   2.374  -5.926
    7    HG   SER   1           HG       SER   1  24.579   1.059  -4.280
    8    H    GLU   2           HN       GLU   2  24.120   2.859  -8.375
    9    HA   GLU   2           HA       GLU   2  24.186   1.526 -10.323
   10   1HB   GLU   2           HB1      GLU   2  24.122  -0.788  -8.332
   11   2HB   GLU   2           HB2      GLU   2  25.511   0.288  -8.428
   12   1HG   GLU   2           HG1      GLU   2  26.203  -0.572 -10.432
   13   2HG   GLU   2           HG2      GLU   2  24.561  -0.714 -11.050
   14    H    GLY   3           HN       GLY   3  23.031  -1.421  -9.711
   15   1HA   GLY   3           HA1      GLY   3  20.961  -2.512 -10.089
   16   2HA   GLY   3           HA2      GLY   3  20.701  -1.233 -11.276
   17    H    ASN   4           HN       ASN   4  21.146  -0.644  -7.878
   18    HA   ASN   4           HA       ASN   4  19.714   0.133  -6.202
   19   1HB   ASN   4           HB1      ASN   4  18.200   1.477  -8.473
   20   2HB   ASN   4           HB2      ASN   4  19.810   2.013  -8.003
   21   1HD2  ASN   4          HD21      ASN   4  16.450   1.850  -6.988
   22   2HD2  ASN   4          HD22      ASN   4  16.629   2.835  -5.618
   23    H    SER   5           HN       SER   5  18.908  -2.225  -6.247
   24    HA   SER   5           HA       SER   5  16.364  -2.843  -7.379
   25   1HB   SER   5           HB1      SER   5  16.388  -4.753  -5.808
   26   2HB   SER   5           HB2      SER   5  17.598  -3.940  -4.790
   27    HG   SER   5           HG       SER   5  18.792  -5.160  -6.170
   28    H    ASP   6           HN       ASP   6  14.581  -1.733  -7.004
   29    HA   ASP   6           HA       ASP   6  13.830   0.148  -5.240
   30   1HB   ASP   6           HB1      ASP   6  11.535  -0.563  -5.558
   31   2HB   ASP   6           HB2      ASP   6  11.999  -2.248  -5.730
   32    H    CYS   7           HN       CYS   7  14.422   0.246  -3.128
   33    HA   CYS   7           HA       CYS   7  13.301  -1.865  -1.357
   34   1HB   CYS   7           HB1      CYS   7  15.782  -2.221  -1.872
   35   2HB   CYS   7           HB2      CYS   7  15.357  -2.157  -0.186
   36    OH   TYR   8           OH       TYR   8  11.605  -4.310   5.135
   37    H    TYR   8           HN       TYR   8  13.952  -1.116   1.046
   38    HA   TYR   8           HA       TYR   8  13.459   1.794   1.382
   39   1HB   TYR   8           HB1      TYR   8  11.229   0.493   1.291
   40   2HB   TYR   8           HB2      TYR   8  11.488   1.381   2.788
   41    HD1  TYR   8           HD1      TYR   8  11.702  -1.991   1.247
   42    HD2  TYR   8           HD2      TYR   8  11.737   0.210   4.884
   43    HE1  TYR   8           HE1      TYR   8  11.605  -4.088   2.516
   44    HE2  TYR   8           HE2      TYR   8  11.642  -1.891   6.151
   45    HH   TYR   8           HH       TYR   8  12.520  -4.574   5.292
   46    H    PHE   9           HN       PHE   9  13.717   2.465   3.650
   47    HA   PHE   9           HA       PHE   9  15.593   0.640   5.092
   48   1HB   PHE   9           HB1      PHE   9  16.364   2.999   4.188
   49   2HB   PHE   9           HB2      PHE   9  16.783   2.585   5.845
   50    HD1  PHE   9           HD2      PHE   9  14.417   4.535   3.752
   51    HD2  PHE   9           HD1      PHE   9  15.834   3.798   7.704
   52    HE1  PHE   9           HE2      PHE   9  13.217   6.520   4.558
   53    HE2  PHE   9           HE1      PHE   9  14.629   5.785   8.502
   54    HZ   PHE   9           HZ       PHE   9  13.317   7.142   6.931
   55    H    GLY  10           HN       GLY  10  15.134   0.064   7.139
   56   1HA   GLY  10           HA1      GLY  10  13.522   1.534   8.984
   57   2HA   GLY  10           HA2      GLY  10  13.882  -0.185   9.121
   58    H    ASN  11           HN       ASN  11  11.711   2.155   7.625
   59    HA   ASN  11           HA       ASN  11   9.791  -0.028   6.992
   60   1HB   ASN  11           HB1      ASN  11   9.191   0.700   9.266
   61   2HB   ASN  11           HB2      ASN  11   7.979   1.321   8.154
   62   1HD2  ASN  11          HD21      ASN  11   8.237   2.628  10.566
   63   2HD2  ASN  11          HD22      ASN  11   8.987   4.136  10.351
   64    H    GLY  12           HN       GLY  12  11.437   2.311   5.691
   65   1HA   GLY  12           HA1      GLY  12   9.845   2.694   3.413
   66   2HA   GLY  12           HA2      GLY  12  11.073   3.852   3.927
   67    H    SER  13           HN       SER  13  10.073   4.763   6.261
   68    HA   SER  13           HA       SER  13   7.279   5.481   6.153
   69   1HB   SER  13           HB1      SER  13   8.374   5.515   8.322
   70   2HB   SER  13           HB2      SER  13   8.142   7.231   7.927
   71    HG   SER  13           HG       SER  13  10.456   5.661   7.878
   72    H    ALA  14           HN       ALA  14  10.074   7.671   6.047
   73    HA   ALA  14           HA       ALA  14   8.522   9.726   4.699
   74   1HB   ALA  14           HB1      ALA  14  11.474   9.370   5.381
   75   2HB   ALA  14           HB2      ALA  14  10.320  10.475   6.123
   76   3HB   ALA  14           HB3      ALA  14  10.902  10.778   4.488
   77    OH   TYR  15           OH       TYR  15  13.778   5.472  -3.789
   78    H    TYR  15           HN       TYR  15  11.121   7.527   3.668
   79    HA   TYR  15           HA       TYR  15  11.368   8.493   1.015
   80   1HB   TYR  15           HB1      TYR  15  11.643   5.594   1.966
   81   2HB   TYR  15           HB2      TYR  15  12.906   6.814   2.127
   82    HD1  TYR  15           HD2      TYR  15  13.378   8.147  -0.176
   83    HD2  TYR  15           HD1      TYR  15  11.767   4.219   0.067
   84    HE1  TYR  15           HE2      TYR  15  14.105   7.703  -2.474
   85    HE2  TYR  15           HE1      TYR  15  12.503   3.780  -2.233
   86    HH   TYR  15           HH       TYR  15  14.250   4.637  -3.791
   87    NH1  ARG  16           NH1      ARG  16   6.827   9.336  -5.490
   88    NH2  ARG  16           NH2      ARG  16   6.730  11.578  -5.406
   89    H    ARG  16           HN       ARG  16  10.548   7.679  -0.960
   90    HA   ARG  16           HA       ARG  16   7.752   6.681  -0.689
   91   1HB   ARG  16           HB1      ARG  16   7.434   7.591  -2.967
   92   2HB   ARG  16           HB2      ARG  16   9.159   7.897  -3.122
   93   1HG   ARG  16           HG1      ARG  16   8.929   9.413  -1.055
   94   2HG   ARG  16           HG2      ARG  16   7.189   9.282  -1.277
   95   1HD   ARG  16           HD1      ARG  16   8.972  10.077  -3.588
   96   2HD   ARG  16           HD2      ARG  16   8.428  11.283  -2.416
   97    HE   ARG  16           HE       ARG  16   6.047  10.405  -3.024
   98   1HH1  ARG  16          HH11      ARG  16   6.878   8.469  -5.002
   99   2HH1  ARG  16          HH12      ARG  16   6.793   9.346  -6.487
  100   1HH2  ARG  16          HH21      ARG  16   6.712  12.406  -4.854
  101   2HH2  ARG  16          HH22      ARG  16   6.682  11.637  -6.399
  102    H    GLY  17           HN       GLY  17   7.418   4.598  -1.063
  103   1HA   GLY  17           HA1      GLY  17   7.881   2.377  -1.743
  104   2HA   GLY  17           HA2      GLY  17   9.436   2.934  -2.358
  105    H    THR  18           HN       THR  18   9.026   1.597  -4.216
  106    HA   THR  18           HA       THR  18   7.278   2.964  -6.232
  107    HB   THR  18           HB       THR  18   8.845   1.579  -7.852
  108    HG1  THR  18           HG1      THR  18  10.587   0.709  -6.818
  109   1HG2  THR  18          HG21      THR  18  10.887   3.074  -7.270
  110   2HG2  THR  18          HG22      THR  18   9.954   3.681  -5.906
  111   3HG2  THR  18          HG23      THR  18   9.398   3.970  -7.552
  112    H    HIS  19           HN       HIS  19   7.415   0.168  -4.360
  113    HA   HIS  19           HA       HIS  19   6.249  -1.634  -6.344
  114   1HB   HIS  19           HB1      HIS  19   6.140  -2.073  -3.342
  115   2HB   HIS  19           HB2      HIS  19   7.671  -2.211  -4.206
  116    HD1  HIS  19           HD1      HIS  19   6.842  -3.628  -6.648
  117    HD2  HIS  19           HD2      HIS  19   5.300  -4.646  -3.037
  118    HE1  HIS  19           HE1      HIS  19   5.988  -5.887  -6.945
  119    H    SER  20           HN       SER  20   4.161  -2.460  -6.399
  120    HA   SER  20           HA       SER  20   2.082  -1.019  -4.791
  121   1HB   SER  20           HB1      SER  20   2.064   0.176  -6.903
  122   2HB   SER  20           HB2      SER  20   0.744  -0.992  -7.072
  123    HG   SER  20           HG       SER  20   1.858  -1.847  -8.634
  124    H    LEU  21           HN       LEU  21   2.934  -3.692  -4.301
  125    HA   LEU  21           HA       LEU  21   0.341  -5.107  -4.635
  126   1HB   LEU  21           HB1      LEU  21   2.920  -6.294  -5.782
  127   2HB   LEU  21           HB2      LEU  21   1.595  -5.652  -6.750
  128    HG   LEU  21           HG       LEU  21   0.471  -7.472  -4.831
  129   1HD1  LEU  21          HD11      LEU  21   0.901  -8.069  -7.752
  130   2HD1  LEU  21          HD12      LEU  21  -0.187  -6.774  -7.263
  131   3HD1  LEU  21          HD13      LEU  21  -0.503  -8.430  -6.753
  132   1HD2  LEU  21          HD21      LEU  21   2.611  -8.776  -6.528
  133   2HD2  LEU  21          HD22      LEU  21   1.654  -9.508  -5.243
  134   3HD2  LEU  21          HD23      LEU  21   2.900  -8.327  -4.850
  135    H    THR  22           HN       THR  22   0.154  -6.940  -3.258
  136    HA   THR  22           HA       THR  22   1.972  -6.807  -0.996
  137    HB   THR  22           HB       THR  22   0.402  -8.269   0.129
  138    HG1  THR  22           HG1      THR  22  -1.136  -8.229  -2.240
  139   1HG2  THR  22          HG21      THR  22  -1.487  -6.784   0.106
  140   2HG2  THR  22          HG22      THR  22  -1.304  -6.444  -1.612
  141   3HG2  THR  22          HG23      THR  22  -0.185  -5.741  -0.448
  142    H    GLU  23           HN       GLU  23   3.132  -8.438  -0.093
  143    HA   GLU  23           HA       GLU  23   4.842  -9.935  -1.592
  144   1HB   GLU  23           HB1      GLU  23   5.149  -9.929   0.791
  145   2HB   GLU  23           HB2      GLU  23   4.861 -11.615   0.384
  146   1HG   GLU  23           HG1      GLU  23   2.419 -11.264   0.961
  147   2HG   GLU  23           HG2      GLU  23   2.835  -9.652   1.526
  148    H    SER  24           HN       SER  24   1.658 -11.199  -0.586
  149    HA   SER  24           HA       SER  24   1.584 -12.834  -3.004
  150   1HB   SER  24           HB1      SER  24   3.078 -14.177  -1.432
  151   2HB   SER  24           HB2      SER  24   1.577 -15.039  -1.826
  152    HG   SER  24           HG       SER  24   2.206 -13.523   0.491
  153    H    GLY  25           HN       GLY  25  -0.038 -10.947  -1.143
  154   1HA   GLY  25           HA1      GLY  25  -2.268 -10.878  -0.276
  155   2HA   GLY  25           HA2      GLY  25  -2.420 -12.603  -0.606
  156    H    ALA  26           HN       ALA  26  -1.594  -9.839  -2.647
  157    HA   ALA  26           HA       ALA  26  -2.702 -10.582  -5.059
  158   1HB   ALA  26           HB1      ALA  26  -4.925 -10.919  -4.324
  159   2HB   ALA  26           HB2      ALA  26  -5.009  -9.211  -4.737
  160   3HB   ALA  26           HB3      ALA  26  -4.799  -9.701  -3.064
  161    H    SER  27           HN       SER  27  -3.980  -8.385  -6.039
  162    HA   SER  27           HA       SER  27  -1.811  -6.427  -6.036
  163   1HB   SER  27           HB1      SER  27  -3.286  -7.003  -8.074
  164   2HB   SER  27           HB2      SER  27  -3.227  -5.261  -7.734
  165    HG   SER  27           HG       SER  27  -5.336  -5.496  -7.601
  166    H    CYS  28           HN       CYS  28  -2.375  -4.089  -5.850
  167    HA   CYS  28           HA       CYS  28  -3.637  -3.663  -3.224
  168   1HB   CYS  28           HB1      CYS  28  -2.434  -1.575  -3.270
  169   2HB   CYS  28           HB2      CYS  28  -2.172  -1.703  -4.988
  170    H    LEU  29           HN       LEU  29  -5.643  -2.865  -2.989
  171    HA   LEU  29           HA       LEU  29  -7.302  -2.115  -5.157
  172   1HB   LEU  29           HB1      LEU  29  -8.769  -1.089  -3.392
  173   2HB   LEU  29           HB2      LEU  29  -7.441  -1.133  -2.250
  174    HG   LEU  29           HG       LEU  29  -8.113  -3.189  -1.584
  175   1HD1  LEU  29          HD11      LEU  29 -10.364  -2.502  -2.314
  176   2HD1  LEU  29          HD12      LEU  29 -10.132  -4.225  -2.591
  177   3HD1  LEU  29          HD13      LEU  29 -10.037  -3.097  -3.939
  178   1HD2  LEU  29          HD21      LEU  29  -7.500  -3.888  -4.475
  179   2HD2  LEU  29          HD22      LEU  29  -8.123  -5.096  -3.365
  180   3HD2  LEU  29          HD23      LEU  29  -6.590  -4.310  -3.031
  181    HA   PRO  30           HA       PRO  30  -5.603   1.776  -6.288
  182   1HB   PRO  30           HB1      PRO  30  -6.939   2.340  -8.091
  183   2HB   PRO  30           HB2      PRO  30  -8.290   2.734  -7.026
  184   1HG   PRO  30           HG1      PRO  30  -7.902   0.321  -8.634
  185   2HG   PRO  30           HG2      PRO  30  -9.316   0.778  -7.683
  186   1HD   PRO  30           HD1      PRO  30  -8.741  -0.745  -6.071
  187   2HD   PRO  30           HD2      PRO  30  -7.338  -1.228  -7.047
  188    CH2  TRP  31           CH2      TRP  31  -2.854   1.889   0.314
  189    H    TRP  31           HN       TRP  31  -5.117   3.320  -4.845
  190    HA   TRP  31           HA       TRP  31  -6.475   3.740  -2.418
  191   1HB   TRP  31           HB1      TRP  31  -5.219   5.913  -2.323
  192   2HB   TRP  31           HB2      TRP  31  -4.855   5.772  -4.035
  193    HD1  TRP  31           HD1      TRP  31  -2.449   5.068  -4.353
  194    HE1  TRP  31           HE1      TRP  31  -0.859   3.554  -3.055
  195    HE3  TRP  31           HE3      TRP  31  -5.559   3.560  -0.790
  196    HZ2  TRP  31           HZ2      TRP  31  -0.916   1.926  -0.602
  197    HZ3  TRP  31           HZ3      TRP  31  -4.860   2.066   1.027
  198    HH2  TRP  31           HH2      TRP  31  -2.548   1.231   1.116
  199    H    ASN  32           HN       ASN  32  -6.763   5.608  -5.426
  200    HA   ASN  32           HA       ASN  32  -8.925   7.237  -4.298
  201   1HB   ASN  32           HB1      ASN  32  -7.403   8.246  -5.969
  202   2HB   ASN  32           HB2      ASN  32  -9.014   8.165  -6.671
  203   1HD2  ASN  32          HD21      ASN  32  -7.979   8.150  -8.821
  204   2HD2  ASN  32          HD22      ASN  32  -7.281   6.724  -9.418
  205    H    SER  33           HN       SER  33  -8.984   4.166  -4.973
  206    HA   SER  33           HA       SER  33 -10.997   3.709  -6.923
  207   1HB   SER  33           HB1      SER  33 -10.507   2.156  -4.319
  208   2HB   SER  33           HB2      SER  33  -9.655   1.874  -5.846
  209    HG   SER  33           HG       SER  33 -11.327   0.622  -6.233
  210    H    MET  34           HN       MET  34 -13.208   3.336  -6.740
  211    HA   MET  34           HA       MET  34 -14.573   5.180  -4.964
  212   1HB   MET  34           HB1      MET  34 -16.637   4.196  -6.063
  213   2HB   MET  34           HB2      MET  34 -15.617   2.992  -6.841
  214   1HG   MET  34           HG1      MET  34 -14.330   5.367  -7.434
  215   2HG   MET  34           HG2      MET  34 -16.009   5.830  -7.492
  216   1HE   MET  34           HE1      MET  34 -16.143   6.487 -10.188
  217   2HE   MET  34           HE2      MET  34 -17.370   5.796  -9.124
  218   3HE   MET  34           HE3      MET  34 -17.162   5.165 -10.758
  219    H    ILE  35           HN       ILE  35 -14.038   1.706  -5.024
  220    HA   ILE  35           HA       ILE  35 -15.992   0.987  -3.065
  221    HB   ILE  35           HB       ILE  35 -13.252  -0.278  -3.617
  222   1HG1  ILE  35          HG11      ILE  35 -15.066   0.069  -5.523
  223   2HG1  ILE  35          HG12      ILE  35 -15.875  -1.272  -4.722
  224   1HG2  ILE  35          HG21      ILE  35 -14.525  -2.361  -2.796
  225   2HG2  ILE  35          HG22      ILE  35 -15.827  -1.288  -2.291
  226   3HG2  ILE  35          HG23      ILE  35 -14.238  -1.160  -1.543
  227   1HD1  ILE  35          HD11      ILE  35 -13.168  -1.228  -6.054
  228   2HD1  ILE  35          HD12      ILE  35 -14.490  -2.368  -6.284
  229   3HD1  ILE  35          HD13      ILE  35 -13.521  -2.426  -4.814
  230    H    LEU  36           HN       LEU  36 -13.083   2.755  -2.739
  231    HA   LEU  36           HA       LEU  36 -12.945   2.155   0.177
  232   1HB   LEU  36           HB1      LEU  36 -10.813   3.566   0.007
  233   2HB   LEU  36           HB2      LEU  36 -11.097   3.684  -1.725
  234    HG   LEU  36           HG       LEU  36 -11.130   1.156  -1.813
  235   1HD1  LEU  36          HD11      LEU  36  -8.517   1.973  -0.577
  236   2HD1  LEU  36          HD12      LEU  36  -9.041   2.794  -2.044
  237   3HD1  LEU  36          HD13      LEU  36  -8.814   1.049  -2.046
  238   1HD2  LEU  36          HD21      LEU  36  -9.739   0.363   0.410
  239   2HD2  LEU  36          HD22      LEU  36 -11.487   0.229   0.256
  240   3HD2  LEU  36          HD23      LEU  36 -10.780   1.600   1.105
  241    H    ILE  37           HN       ILE  37 -15.013   3.895  -1.278
  242    HA   ILE  37           HA       ILE  37 -14.723   6.628  -0.781
  243    HB   ILE  37           HB       ILE  37 -17.092   4.724  -0.567
  244   1HG1  ILE  37          HG11      ILE  37 -15.935   5.793  -2.723
  245   2HG1  ILE  37          HG12      ILE  37 -16.956   7.166  -2.308
  246   1HG2  ILE  37          HG21      ILE  37 -17.735   6.381   1.076
  247   2HG2  ILE  37          HG22      ILE  37 -18.479   6.953  -0.413
  248   3HG2  ILE  37          HG23      ILE  37 -16.991   7.693   0.167
  249   1HD1  ILE  37          HD11      ILE  37 -17.858   4.314  -2.838
  250   2HD1  ILE  37          HD12      ILE  37 -18.230   5.741  -3.800
  251   3HD1  ILE  37          HD13      ILE  37 -18.917   5.563  -2.190
  252    H    GLY  38           HN       GLY  38 -13.900   7.537   0.981
  253   1HA   GLY  38           HA1      GLY  38 -15.211   7.658   3.472
  254   2HA   GLY  38           HA2      GLY  38 -13.502   8.031   3.253
  255    H    LYS  39           HN       LYS  39 -12.386   5.670   2.583
  256    HA   LYS  39           HA       LYS  39 -13.134   3.898   4.877
  257   1HB   LYS  39           HB1      LYS  39 -11.746   3.099   2.277
  258   2HB   LYS  39           HB2      LYS  39 -13.479   2.957   2.545
  259   1HG   LYS  39           HG1      LYS  39 -12.668   1.682   4.751
  260   2HG   LYS  39           HG2      LYS  39 -11.234   1.393   3.769
  261   1HD   LYS  39           HD1      LYS  39 -12.782   0.539   1.945
  262   2HD   LYS  39           HD2      LYS  39 -14.097   0.633   3.113
  263   1HE   LYS  39           HE1      LYS  39 -12.898  -0.889   4.624
  264   2HE   LYS  39           HE2      LYS  39 -11.528  -0.941   3.515
  265   1HZ   LYS  39           HZ1      LYS  39 -12.534  -2.455   2.267
  266   2HZ   LYS  39           HZ2      LYS  39 -13.988  -1.574   2.216
  267   3HZ   LYS  39           HZ3      LYS  39 -13.672  -2.623   3.518
  268    H    VAL  40           HN       VAL  40 -11.330   2.448   5.556
  269    HA   VAL  40           HA       VAL  40  -9.428   3.383   7.087
  270    HB   VAL  40           HB       VAL  40  -8.578   1.326   4.982
  271   1HG1  VAL  40          HG11      VAL  40  -6.928   0.794   6.458
  272   2HG1  VAL  40          HG12      VAL  40  -8.020   0.866   7.834
  273   3HG1  VAL  40          HG13      VAL  40  -7.276   2.341   7.225
  274   1HG2  VAL  40          HG21      VAL  40  -9.653  -0.328   6.610
  275   2HG2  VAL  40          HG22      VAL  40 -10.787   0.643   5.681
  276   3HG2  VAL  40          HG23      VAL  40 -10.454   1.049   7.361
  277    OH   TYR  41           OH       TYR  41  -4.196   3.595   9.355
  278    H    TYR  41           HN       TYR  41  -7.994   2.616   3.924
  279    HA   TYR  41           HA       TYR  41  -6.640   5.263   4.056
  280   1HB   TYR  41           HB1      TYR  41  -4.547   4.082   3.245
  281   2HB   TYR  41           HB2      TYR  41  -5.392   2.546   3.433
  282    HD1  TYR  41           HD2      TYR  41  -4.863   5.686   5.401
  283    HD2  TYR  41           HD1      TYR  41  -5.035   1.446   5.466
  284    HE1  TYR  41           HE2      TYR  41  -4.413   5.714   7.811
  285    HE2  TYR  41           HE1      TYR  41  -4.598   1.462   7.879
  286    HH   TYR  41           HH       TYR  41  -3.625   2.838   9.546
  287    H    THR  42           HN       THR  42  -6.818   6.430   2.289
  288    HA   THR  42           HA       THR  42  -6.746   5.178  -0.356
  289    HB   THR  42           HB       THR  42  -9.018   5.041  -0.819
  290    HG1  THR  42           HG1      THR  42 -10.039   7.251   0.193
  291   1HG2  THR  42          HG21      THR  42  -9.445   4.380   1.518
  292   2HG2  THR  42          HG22      THR  42 -10.639   5.610   1.126
  293   3HG2  THR  42          HG23      THR  42  -9.223   6.032   2.077
  294    H    ALA  43           HN       ALA  43  -7.256   6.808  -2.097
  295    HA   ALA  43           HA       ALA  43  -5.755   9.266  -1.418
  296   1HB   ALA  43           HB1      ALA  43  -5.096   8.111  -3.476
  297   2HB   ALA  43           HB2      ALA  43  -5.904   9.596  -3.965
  298   3HB   ALA  43           HB3      ALA  43  -6.757   8.061  -4.046
  299    H    GLN  44           HN       GLN  44  -8.957   8.218  -1.758
  300    HA   GLN  44           HA       GLN  44  -9.990  10.946  -2.374
  301   1HB   GLN  44           HB1      GLN  44 -12.224   9.725  -2.401
  302   2HB   GLN  44           HB2      GLN  44 -11.373   8.230  -2.021
  303   1HG   GLN  44           HG1      GLN  44 -10.765   7.951  -4.187
  304   2HG   GLN  44           HG2      GLN  44 -10.114   9.584  -4.276
  305   1HE2  GLN  44          HE21      GLN  44 -12.239   7.704  -5.821
  306   2HE2  GLN  44          HE22      GLN  44 -13.418   8.843  -6.260
  307    H    ASN  45           HN       ASN  45  -8.880   9.345   0.171
  308    HA   ASN  45           HA       ASN  45 -10.952   9.845   2.159
  309   1HB   ASN  45           HB1      ASN  45  -7.954   9.377   2.561
  310   2HB   ASN  45           HB2      ASN  45  -9.068   8.057   2.249
  311   1HD2  ASN  45          HD21      ASN  45  -9.854   7.086   4.109
  312   2HD2  ASN  45          HD22      ASN  45  -9.982   7.846   5.620
  313    HA   PRO  46           HA       PRO  46 -10.151  14.133   2.729
  314   1HB   PRO  46           HB1      PRO  46 -11.664  14.630   4.401
  315   2HB   PRO  46           HB2      PRO  46 -10.613  13.902   5.618
  316   1HG   PRO  46           HG1      PRO  46 -13.051  12.798   4.479
  317   2HG   PRO  46           HG2      PRO  46 -12.031  12.095   5.736
  318   1HD   PRO  46           HD1      PRO  46 -11.263  10.551   4.236
  319   2HD   PRO  46           HD2      PRO  46 -12.255  11.281   2.962
  320    H    SER  47           HN       SER  47  -8.572  11.619   4.482
  321    HA   SER  47           HA       SER  47  -6.439  13.500   5.406
  322   1HB   SER  47           HB1      SER  47  -5.701  11.493   6.791
  323   2HB   SER  47           HB2      SER  47  -7.081  10.589   6.136
  324    HG   SER  47           HG       SER  47  -8.419  12.332   6.867
  325    H    ALA  48           HN       ALA  48  -6.967  12.172   2.633
  326    HA   ALA  48           HA       ALA  48  -5.179  10.278   1.818
  327   1HB   ALA  48           HB1      ALA  48  -5.499  13.030   0.507
  328   2HB   ALA  48           HB2      ALA  48  -6.568  11.651   0.255
  329   3HB   ALA  48           HB3      ALA  48  -4.897  11.584  -0.301
  330    H    GLN  49           HN       GLN  49  -4.286  13.619   2.638
  331    HA   GLN  49           HA       GLN  49  -1.536  13.462   1.955
  332   1HB   GLN  49           HB1      GLN  49  -1.284  15.277   3.753
  333   2HB   GLN  49           HB2      GLN  49  -2.965  14.995   4.196
  334   1HG   GLN  49           HG1      GLN  49  -3.770  15.785   2.100
  335   2HG   GLN  49           HG2      GLN  49  -2.191  15.631   1.336
  336   1HE2  GLN  49          HE21      GLN  49  -0.532  17.241   1.950
  337   2HE2  GLN  49          HE22      GLN  49  -0.994  18.736   2.599
  338    H    ALA  50           HN       ALA  50  -2.989  13.052   5.199
  339    HA   ALA  50           HA       ALA  50  -0.605  12.065   6.430
  340   1HB   ALA  50           HB1      ALA  50  -2.068  11.463   8.271
  341   2HB   ALA  50           HB2      ALA  50  -3.456  11.285   7.202
  342   3HB   ALA  50           HB3      ALA  50  -2.806  12.886   7.542
  343    H    LEU  51           HN       LEU  51  -3.186  10.492   4.670
  344    HA   LEU  51           HA       LEU  51  -2.612   7.787   5.298
  345   1HB   LEU  51           HB1      LEU  51  -3.732   7.306   3.129
  346   2HB   LEU  51           HB2      LEU  51  -3.597   8.998   2.681
  347    HG   LEU  51           HG       LEU  51  -5.340   9.624   4.040
  348   1HD1  LEU  51          HD11      LEU  51  -6.596   8.056   2.932
  349   2HD1  LEU  51          HD12      LEU  51  -6.801   7.472   4.579
  350   3HD1  LEU  51          HD13      LEU  51  -5.623   6.716   3.512
  351   1HD2  LEU  51          HD21      LEU  51  -4.422   7.488   5.995
  352   2HD2  LEU  51          HD22      LEU  51  -5.809   8.533   6.267
  353   3HD2  LEU  51          HD23      LEU  51  -4.197   9.224   6.161
  354    H    GLY  52           HN       GLY  52  -1.154  10.062   3.074
  355   1HA   GLY  52           HA1      GLY  52   1.233   8.367   2.815
  356   2HA   GLY  52           HA2      GLY  52   1.026   9.975   2.126
  357    H    LEU  53           HN       LEU  53  -1.651   8.788   1.120
  358    HA   LEU  53           HA       LEU  53  -0.664   7.029  -1.058
  359   1HB   LEU  53           HB1      LEU  53  -3.243   7.071  -1.554
  360   2HB   LEU  53           HB2      LEU  53  -3.396   7.931  -0.035
  361    HG   LEU  53           HG       LEU  53  -2.445   5.107  -0.510
  362   1HD1  LEU  53          HD11      LEU  53  -0.718   6.078   0.906
  363   2HD1  LEU  53          HD12      LEU  53  -1.753   5.055   1.889
  364   3HD1  LEU  53          HD13      LEU  53  -1.938   6.799   1.939
  365   1HD2  LEU  53          HD21      LEU  53  -4.069   4.668   1.301
  366   2HD2  LEU  53          HD22      LEU  53  -4.822   5.522  -0.036
  367   3HD2  LEU  53          HD23      LEU  53  -4.388   6.394   1.425
  368    H    GLY  54           HN       GLY  54  -2.461   7.661  -3.015
  369   1HA   GLY  54           HA1      GLY  54  -1.154   9.715  -4.465
  370   2HA   GLY  54           HA2      GLY  54  -2.633  10.393  -3.781
  371    H    LYS  55           HN       LYS  55  -2.617  10.352  -6.434
  372    HA   LYS  55           HA       LYS  55  -4.787   8.530  -7.064
  373   1HB   LYS  55           HB1      LYS  55  -3.153  10.113  -9.095
  374   2HB   LYS  55           HB2      LYS  55  -4.291  10.921  -8.024
  375   1HG   LYS  55           HG1      LYS  55  -6.069   9.299  -8.829
  376   2HG   LYS  55           HG2      LYS  55  -4.920   8.725 -10.029
  377   1HD   LYS  55           HD1      LYS  55  -5.855  11.608  -9.737
  378   2HD   LYS  55           HD2      LYS  55  -6.431  10.481 -10.960
  379   1HE   LYS  55           HE1      LYS  55  -3.634  11.609 -10.643
  380   2HE   LYS  55           HE2      LYS  55  -4.717  11.780 -12.022
  381   1HZ   LYS  55           HZ1      LYS  55  -3.331   9.315 -11.105
  382   2HZ   LYS  55           HZ2      LYS  55  -3.124  10.141 -12.581
  383   3HZ   LYS  55           HZ3      LYS  55  -4.574   9.309 -12.269
  384    H    HIS  56           HN       HIS  56  -3.466   6.578  -6.478
  385    HA   HIS  56           HA       HIS  56  -2.607   5.247  -8.915
  386   1HB   HIS  56           HB1      HIS  56  -0.531   6.469  -8.472
  387   2HB   HIS  56           HB2      HIS  56  -0.250   4.793  -8.022
  388    HD1  HIS  56           HD1      HIS  56  -0.715   4.459  -5.339
  389    HD2  HIS  56           HD2      HIS  56   0.087   8.254  -6.500
  390    HE1  HIS  56           HE1      HIS  56   0.126   5.547  -3.333
  391    H    ASN  57           HN       ASN  57  -1.209   3.130  -8.007
  392    HA   ASN  57           HA       ASN  57  -2.966   1.953  -5.873
  393   1HB   ASN  57           HB1      ASN  57  -3.424   0.984  -8.114
  394   2HB   ASN  57           HB2      ASN  57  -2.623  -0.227  -7.118
  395   1HD2  ASN  57          HD21      ASN  57  -1.040  -1.288  -8.282
  396   2HD2  ASN  57          HD22      ASN  57  -0.054  -0.581  -9.470
  397    OH   TYR  58           OH       TYR  58   4.564   4.060  -9.930
  398    H    TYR  58           HN       TYR  58  -0.146   3.195  -5.976
  399    HA   TYR  58           HA       TYR  58   1.786   1.206  -5.389
  400   1HB   TYR  58           HB1      TYR  58   2.852   3.219  -4.092
  401   2HB   TYR  58           HB2      TYR  58   1.468   4.111  -4.650
  402    HD1  TYR  58           HD2      TYR  58   3.940   1.707  -6.117
  403    HD2  TYR  58           HD1      TYR  58   1.754   5.318  -6.625
  404    HE1  TYR  58           HE2      TYR  58   4.999   2.048  -8.304
  405    HE2  TYR  58           HE1      TYR  58   2.804   5.647  -8.816
  406    HH   TYR  58           HH       TYR  58   4.747   3.196 -10.304
  407    H    CYS  59           HN       CYS  59   2.787   0.698  -3.394
  408    HA   CYS  59           HA       CYS  59   0.814   0.261  -1.241
  409   1HB   CYS  59           HB1      CYS  59   2.624  -1.185  -0.349
  410   2HB   CYS  59           HB2      CYS  59   3.707  -0.611  -1.580
  411    NH1  ARG  60           NH1      ARG  60   3.173   8.013  -1.284
  412    NH2  ARG  60           NH2      ARG  60   4.912   6.854  -0.461
  413    H    ARG  60           HN       ARG  60   1.077   1.057   0.859
  414    HA   ARG  60           HA       ARG  60   3.391   2.857   1.368
  415   1HB   ARG  60           HB1      ARG  60   1.950   4.746   1.950
  416   2HB   ARG  60           HB2      ARG  60   0.505   3.749   1.847
  417   1HG   ARG  60           HG1      ARG  60   0.557   5.037  -0.177
  418   2HG   ARG  60           HG2      ARG  60   1.058   3.416  -0.631
  419   1HD   ARG  60           HD1      ARG  60   2.635   4.890  -1.664
  420   2HD   ARG  60           HD2      ARG  60   3.470   4.220  -0.262
  421    HE   ARG  60           HE       ARG  60   2.333   6.521   0.752
  422   1HH1  ARG  60          HH11      ARG  60   2.177   8.129  -1.345
  423   2HH1  ARG  60          HH12      ARG  60   3.781   8.655  -1.739
  424   1HH2  ARG  60          HH21      ARG  60   5.240   6.099   0.098
  425   2HH2  ARG  60          HH22      ARG  60   5.556   7.464  -0.906
  426    H    ASN  61           HN       ASN  61   3.206   3.752   3.674
  427    HA   ASN  61           HA       ASN  61   2.115   1.617   5.474
  428   1HB   ASN  61           HB1      ASN  61   4.043   2.472   7.004
  429   2HB   ASN  61           HB2      ASN  61   4.719   3.206   5.587
  430   1HD2  ASN  61          HD21      ASN  61   6.513   1.832   5.399
  431   2HD2  ASN  61          HD22      ASN  61   6.370   0.160   5.152
  432    HA   PRO  62           HA       PRO  62   0.262   5.888   6.296
  433   1HB   PRO  62           HB1      PRO  62  -1.878   5.696   5.487
  434   2HB   PRO  62           HB2      PRO  62  -2.245   4.411   6.637
  435   1HG   PRO  62           HG1      PRO  62  -1.685   4.163   3.796
  436   2HG   PRO  62           HG2      PRO  62  -2.131   2.887   4.927
  437   1HD   PRO  62           HD1      PRO  62   0.021   2.114   4.891
  438   2HD   PRO  62           HD2      PRO  62   0.464   3.419   3.785
  439    H    ASP  63           HN       ASP  63  -0.008   2.707   7.768
  440    HA   ASP  63           HA       ASP  63  -0.778   3.889  10.372
  441   1HB   ASP  63           HB1      ASP  63  -1.416   1.719  10.919
  442   2HB   ASP  63           HB2      ASP  63   0.071   1.025  10.294
  443    H    GLY  64           HN       GLY  64   2.049   3.184   8.661
  444   1HA   GLY  64           HA1      GLY  64   3.689   3.754  11.056
  445   2HA   GLY  64           HA2      GLY  64   4.274   3.703   9.393
  446    H    ASP  65           HN       ASP  65   2.967   1.203   8.835
  447    HA   ASP  65           HA       ASP  65   3.864  -0.850  10.640
  448   1HB   ASP  65           HB1      ASP  65   3.549  -1.864   7.964
  449   2HB   ASP  65           HB2      ASP  65   2.358  -0.587   8.161
  450    H    ALA  66           HN       ALA  66   5.100  -2.712   9.098
  451    HA   ALA  66           HA       ALA  66   7.848  -1.792   9.130
  452   1HB   ALA  66           HB1      ALA  66   8.248  -4.120   8.089
  453   2HB   ALA  66           HB2      ALA  66   6.500  -4.335   8.075
  454   3HB   ALA  66           HB3      ALA  66   7.351  -4.150   9.604
  455    H    LYS  67           HN       LYS  67   7.058  -3.675   6.345
  456    HA   LYS  67           HA       LYS  67   8.106  -1.498   4.670
  457   1HB   LYS  67           HB1      LYS  67   8.885  -3.815   4.219
  458   2HB   LYS  67           HB2      LYS  67   7.960  -3.252   2.836
  459   1HG   LYS  67           HG1      LYS  67   6.748  -5.167   3.055
  460   2HG   LYS  67           HG2      LYS  67   6.002  -4.397   4.449
  461   1HD   LYS  67           HD1      LYS  67   6.843  -6.568   5.160
  462   2HD   LYS  67           HD2      LYS  67   7.861  -5.332   5.885
  463   1HE   LYS  67           HE1      LYS  67   9.696  -6.092   4.800
  464   2HE   LYS  67           HE2      LYS  67   8.859  -6.072   3.249
  465   1HZ   LYS  67           HZ1      LYS  67   9.658  -8.302   4.529
  466   2HZ   LYS  67           HZ2      LYS  67   8.412  -8.249   3.363
  467   3HZ   LYS  67           HZ3      LYS  67   8.029  -8.206   5.023
  468    HA   PRO  68           HA       PRO  68   4.248   0.321   3.644
  469   1HB   PRO  68           HB1      PRO  68   4.790   1.674   1.824
  470   2HB   PRO  68           HB2      PRO  68   5.039   0.290   0.759
  471   1HG   PRO  68           HG1      PRO  68   7.054   1.896   2.177
  472   2HG   PRO  68           HG2      PRO  68   7.307   0.657   0.944
  473   1HD   PRO  68           HD1      PRO  68   7.972  -0.827   2.558
  474   2HD   PRO  68           HD2      PRO  68   7.732   0.424   3.794
  475    CH2  TRP  69           CH2      TRP  69  -3.346  -0.493   4.262
  476    H    TRP  69           HN       TRP  69   2.497  -0.823   3.527
  477    HA   TRP  69           HA       TRP  69   2.350  -3.313   1.869
  478   1HB   TRP  69           HB1      TRP  69   1.903  -3.515   4.320
  479   2HB   TRP  69           HB2      TRP  69   0.419  -3.814   3.419
  480    HD1  TRP  69           HD1      TRP  69   2.209  -0.971   5.346
  481    HE1  TRP  69           HE1      TRP  69   0.332   0.561   6.166
  482    HE3  TRP  69           HE3      TRP  69  -1.632  -3.108   3.001
  483    HZ2  TRP  69           HZ2      TRP  69  -2.540   0.996   5.566
  484    HZ3  TRP  69           HZ3      TRP  69  -3.874  -2.094   2.957
  485    HH2  TRP  69           HH2      TRP  69  -4.346  -0.066   4.260
  486    H    CYS  70           HN       CYS  70  -0.298  -3.626   1.727
  487    HA   CYS  70           HA       CYS  70  -1.729  -1.288   0.860
  488   1HB   CYS  70           HB1      CYS  70  -0.014  -1.655  -0.971
  489   2HB   CYS  70           HB2      CYS  70  -1.669  -1.563  -1.484
  490    H    HIS  71           HN       HIS  71  -3.799  -1.797  -0.047
  491    HA   HIS  71           HA       HIS  71  -5.132  -3.906   1.344
  492   1HB   HIS  71           HB1      HIS  71  -6.977  -3.279  -0.316
  493   2HB   HIS  71           HB2      HIS  71  -5.865  -2.143  -1.017
  494    HD1  HIS  71           HD1      HIS  71  -7.433  -2.838   2.242
  495    HD2  HIS  71           HD2      HIS  71  -5.917   0.246   0.133
  496    HE1  HIS  71           HE1      HIS  71  -8.268  -0.866   3.312
  497    H    VAL  72           HN       VAL  72  -6.283  -5.656   0.519
  498    HA   VAL  72           HA       VAL  72  -5.707  -6.566  -2.238
  499    HB   VAL  72           HB       VAL  72  -5.129  -8.887  -1.304
  500   1HG1  VAL  72          HG11      VAL  72  -3.257  -6.575  -0.745
  501   2HG1  VAL  72          HG12      VAL  72  -3.420  -7.438  -2.269
  502   3HG1  VAL  72          HG13      VAL  72  -2.763  -8.262  -0.858
  503   1HG2  VAL  72          HG21      VAL  72  -4.901  -9.249   0.928
  504   2HG2  VAL  72          HG22      VAL  72  -5.842  -7.779   1.109
  505   3HG2  VAL  72          HG23      VAL  72  -4.090  -7.709   1.188
  506    H    LEU  73           HN       LEU  73  -7.183  -8.022  -2.999
  507    HA   LEU  73           HA       LEU  73  -9.677  -8.163  -1.383
  508   1HB   LEU  73           HB1      LEU  73  -9.473  -9.049  -4.271
  509   2HB   LEU  73           HB2      LEU  73  -9.415  -7.328  -3.907
  510    HG   LEU  73           HG       LEU  73 -11.540  -8.557  -2.373
  511   1HD1  LEU  73          HD11      LEU  73 -11.273  -6.145  -3.080
  512   2HD1  LEU  73          HD12      LEU  73 -12.858  -6.816  -3.457
  513   3HD1  LEU  73          HD13      LEU  73 -11.652  -6.636  -4.728
  514   1HD2  LEU  73          HD21      LEU  73 -11.455  -9.135  -5.349
  515   2HD2  LEU  73          HD22      LEU  73 -12.963  -9.091  -4.440
  516   3HD2  LEU  73          HD23      LEU  73 -11.726 -10.275  -4.033
  517    H    LYS  74           HN       LYS  74 -10.185  -9.976  -0.392
  518    HA   LYS  74           HA       LYS  74  -8.952 -12.523  -1.342
  519   1HB   LYS  74           HB1      LYS  74 -10.282 -12.603   1.291
  520   2HB   LYS  74           HB2      LYS  74  -9.070 -11.328   1.216
  521   1HG   LYS  74           HG1      LYS  74  -7.943 -13.627  -0.060
  522   2HG   LYS  74           HG2      LYS  74  -8.664 -14.179   1.448
  523   1HD   LYS  74           HD1      LYS  74  -7.108 -13.094   2.719
  524   2HD   LYS  74           HD2      LYS  74  -7.188 -11.639   1.732
  525   1HE   LYS  74           HE1      LYS  74  -4.977 -12.500   1.431
  526   2HE   LYS  74           HE2      LYS  74  -5.855 -12.919  -0.039
  527   1HZ   LYS  74           HZ1      LYS  74  -4.776 -14.874   0.570
  528   2HZ   LYS  74           HZ2      LYS  74  -6.355 -15.101   1.158
  529   3HZ   LYS  74           HZ3      LYS  74  -5.105 -14.668   2.225
  530    H    ASN  75           HN       ASN  75 -10.505 -14.406  -0.257
  531    HA   ASN  75           HA       ASN  75 -12.648 -14.712  -2.052
  532   1HB   ASN  75           HB1      ASN  75 -13.383 -16.553  -0.555
  533   2HB   ASN  75           HB2      ASN  75 -12.421 -15.891   0.763
  534   1HD2  ASN  75          HD21      ASN  75 -12.339 -18.132  -1.753
  535   2HD2  ASN  75          HD22      ASN  75 -10.659 -18.329  -1.855
  536    NH1  ARG  76           NH2      ARG  76 -21.329 -12.935   0.671
  537    NH2  ARG  76           NH1      ARG  76 -21.221 -15.173   0.507
  538    H    ARG  76           HN       ARG  76 -13.987 -12.946  -2.182
  539    HA   ARG  76           HA       ARG  76 -15.796 -11.553  -1.654
  540   1HB   ARG  76           HB1      ARG  76 -16.908 -13.124   0.542
  541   2HB   ARG  76           HB2      ARG  76 -16.364 -14.197  -0.742
  542   1HG   ARG  76           HG1      ARG  76 -17.606 -12.704  -2.384
  543   2HG   ARG  76           HG2      ARG  76 -18.292 -11.867  -0.995
  544   1HD   ARG  76           HD1      ARG  76 -18.527 -14.859  -1.476
  545   2HD   ARG  76           HD2      ARG  76 -19.788 -13.682  -1.860
  546    HE   ARG  76           HE       ARG  76 -18.767 -13.892   0.944
  547   1HH1  ARG  76          HH21      ARG  76 -20.857 -12.056   0.626
  548   2HH1  ARG  76          HH22      ARG  76 -22.303 -12.972   0.873
  549   1HH2  ARG  76          HH11      ARG  76 -20.670 -15.987   0.340
  550   2HH2  ARG  76          HH12      ARG  76 -22.193 -15.260   0.705
  551    NH1  ARG  77           NH2      ARG  77 -10.898 -12.184   7.525
  552    NH2  ARG  77           NH1      ARG  77  -9.236 -10.705   7.152
  553    H    ARG  77           HN       ARG  77 -13.256 -11.577   0.134
  554    HA   ARG  77           HA       ARG  77 -14.426  -9.736   2.169
  555   1HB   ARG  77           HB1      ARG  77 -12.261 -11.826   2.718
  556   2HB   ARG  77           HB2      ARG  77 -13.950 -12.022   3.176
  557   1HG   ARG  77           HG1      ARG  77 -13.855 -10.102   4.653
  558   2HG   ARG  77           HG2      ARG  77 -12.257  -9.662   4.067
  559   1HD   ARG  77           HD1      ARG  77 -12.008 -12.338   4.915
  560   2HD   ARG  77           HD2      ARG  77 -12.973 -11.535   6.160
  561    HE   ARG  77           HE       ARG  77 -10.730  -9.860   5.438
  562   1HH1  ARG  77          HH21      ARG  77 -11.790 -12.546   7.267
  563   2HH1  ARG  77          HH22      ARG  77 -10.403 -12.580   8.295
  564   1HH2  ARG  77          HH11      ARG  77  -8.868  -9.947   6.613
  565   2HH2  ARG  77          HH12      ARG  77  -8.711 -11.074   7.911
  566    H    LEU  78           HN       LEU  78 -12.968  -8.137   2.934
  567    HA   LEU  78           HA       LEU  78 -10.867  -7.462   0.955
  568   1HB   LEU  78           HB1      LEU  78 -11.730  -5.828   3.391
  569   2HB   LEU  78           HB2      LEU  78 -12.672  -5.828   1.906
  570    HG   LEU  78           HG       LEU  78  -9.776  -5.371   1.495
  571   1HD1  LEU  78          HD11      LEU  78 -10.784  -3.498   0.091
  572   2HD1  LEU  78          HD12      LEU  78 -12.366  -4.099   0.577
  573   3HD1  LEU  78          HD13      LEU  78 -11.284  -5.126  -0.357
  574   1HD2  LEU  78          HD21      LEU  78 -11.178  -3.884   3.551
  575   2HD2  LEU  78          HD22      LEU  78 -10.748  -2.820   2.216
  576   3HD2  LEU  78          HD23      LEU  78  -9.505  -3.746   3.035
  577    H    THR  79           HN       THR  79  -8.735  -6.780   1.654
  578    HA   THR  79           HA       THR  79  -7.832  -7.466   4.363
  579    HB   THR  79           HB       THR  79  -5.990  -9.000   2.888
  580    HG1  THR  79           HG1      THR  79  -7.840  -8.482   1.241
  581   1HG2  THR  79          HG21      THR  79  -7.098 -10.927   3.834
  582   2HG2  THR  79          HG22      THR  79  -8.680 -10.160   3.745
  583   3HG2  THR  79          HG23      THR  79  -7.514  -9.640   4.958
  584    CH2  TRP  80           CH2      TRP  80  -1.229  -4.555   8.150
  585    H    TRP  80           HN       TRP  80  -5.145  -7.680   3.921
  586    HA   TRP  80           HA       TRP  80  -4.003  -5.744   2.113
  587   1HB   TRP  80           HB1      TRP  80  -5.269  -4.212   3.705
  588   2HB   TRP  80           HB2      TRP  80  -3.541  -3.935   3.709
  589    HD1  TRP  80           HD1      TRP  80  -6.323  -5.493   5.900
  590    HE1  TRP  80           HE1      TRP  80  -5.322  -5.590   8.252
  591    HE3  TRP  80           HE3      TRP  80  -1.676  -4.224   4.820
  592    HZ2  TRP  80           HZ2      TRP  80  -2.765  -5.125   9.526
  593    HZ3  TRP  80           HZ3      TRP  80   0.078  -4.012   6.544
  594    HH2  TRP  80           HH2      TRP  80  -0.459  -4.478   8.907
  595    H    GLU  81           HN       GLU  81  -1.857  -6.322   1.928
  596    HA   GLU  81           HA       GLU  81  -0.606  -7.459   4.421
  597   1HB   GLU  81           HB1      GLU  81   0.553  -8.872   2.284
  598   2HB   GLU  81           HB2      GLU  81  -1.143  -8.767   1.827
  599   1HG   GLU  81           HG1      GLU  81  -0.476  -9.541   4.667
  600   2HG   GLU  81           HG2      GLU  81  -0.274 -10.748   3.407
  601    OH   TYR  82           OH       TYR  82   3.885  -5.771   9.622
  602    H    TYR  82           HN       TYR  82   1.778  -7.673   4.225
  603    HA   TYR  82           HA       TYR  82   2.949  -5.160   3.633
  604   1HB   TYR  82           HB1      TYR  82   5.143  -6.555   3.679
  605   2HB   TYR  82           HB2      TYR  82   4.122  -7.972   3.908
  606    HD1  TYR  82           HD1      TYR  82   4.048  -4.475   5.296
  607    HD2  TYR  82           HD2      TYR  82   4.143  -8.645   6.147
  608    HE1  TYR  82           HE1      TYR  82   3.907  -3.993   7.693
  609    HE2  TYR  82           HE2      TYR  82   4.004  -8.148   8.549
  610    HH   TYR  82           HH       TYR  82   3.339  -4.982   9.740
  611    H    CYS  83           HN       CYS  83   3.854  -4.344   1.786
  612    HA   CYS  83           HA       CYS  83   3.184  -5.733  -0.667
  613   1HB   CYS  83           HB1      CYS  83   5.040  -3.379  -0.440
  614   2HB   CYS  83           HB2      CYS  83   3.349  -3.160  -0.127
  615    H    ASP  84           HN       ASP  84   4.779  -6.363  -2.300
  616    HA   ASP  84           HA       ASP  84   7.027  -7.712  -0.999
  617   1HB   ASP  84           HB1      ASP  84   6.720  -7.489  -4.011
  618   2HB   ASP  84           HB2      ASP  84   5.576  -8.468  -3.100
  619    H    VAL  85           HN       VAL  85   7.785  -5.499  -0.275
  620    HA   VAL  85           HA       VAL  85   9.378  -4.098  -2.361
  621    HB   VAL  85           HB       VAL  85   9.144  -3.361   0.597
  622   1HG1  VAL  85          HG11      VAL  85   9.413  -1.042  -0.437
  623   2HG1  VAL  85          HG12      VAL  85   9.749  -1.850  -1.969
  624   3HG1  VAL  85          HG13      VAL  85  10.819  -2.092  -0.590
  625   1HG2  VAL  85          HG21      VAL  85   6.899  -3.156   0.223
  626   2HG2  VAL  85          HG22      VAL  85   7.085  -3.283  -1.525
  627   3HG2  VAL  85          HG23      VAL  85   7.337  -1.736  -0.722
  628    HA   PRO  86           HA       PRO  86  12.717  -6.802  -1.010
  629   1HB   PRO  86           HB1      PRO  86  13.819  -6.998  -3.027
  630   2HB   PRO  86           HB2      PRO  86  14.433  -5.351  -2.876
  631   1HG   PRO  86           HG1      PRO  86  12.325  -6.303  -4.626
  632   2HG   PRO  86           HG2      PRO  86  12.958  -4.660  -4.492
  633   1HD   PRO  86           HD1      PRO  86  11.054  -4.011  -3.419
  634   2HD   PRO  86           HD2      PRO  86  10.424  -5.662  -3.546
  635    H    SER  87           HN       SER  87  13.326  -6.127   0.973
  636    HA   SER  87           HA       SER  87  14.036  -3.489   1.749
  637   1HB   SER  87           HB1      SER  87  15.091  -6.109   2.954
  638   2HB   SER  87           HB2      SER  87  13.518  -5.386   3.352
  639    HG   SER  87           HG       SER  87  15.716  -4.776   4.513
  640    H    CYS  88           HN       CYS  88  16.112  -2.637   2.353
  641    HA   CYS  88           HA       CYS  88  18.130  -3.226   0.283
  642   1HB   CYS  88           HB1      CYS  88  19.134  -1.191   0.949
  643   2HB   CYS  88           HB2      CYS  88  18.575  -1.332   2.594
  644    H    SER  89           HN       SER  89  17.605  -3.891   3.640
  645    HA   SER  89           HA       SER  89  18.771  -5.188   5.195
  646   1HB   SER  89           HB1      SER  89  20.562  -6.778   4.066
  647   2HB   SER  89           HB2      SER  89  19.908  -6.151   2.539
  648    HG   SER  89           HG       SER  89  18.810  -8.043   3.652
  649    H    THR  90           HN       THR  90  21.489  -4.710   2.953
  650    HA   THR  90           HA       THR  90  22.714  -2.801   4.866
  651    HB   THR  90           HB       THR  90  24.232  -5.319   3.941
  652    HG1  THR  90           HG1      THR  90  23.087  -4.741   6.477
  653   1HG2  THR  90          HG21      THR  90  25.659  -4.700   5.921
  654   2HG2  THR  90          HG22      THR  90  24.624  -3.312   6.239
  655   3HG2  THR  90          HG23      THR  90  25.613  -3.357   4.783
  656   1H2   AHA  91           HA1      ACA  91  -7.867  -2.649   4.060
  657   2H2   AHA  91           HA2      ACA  91  -6.806  -3.891   4.682
  658   1H3   AHA  91           HB1      ACA  91  -7.341  -2.857   7.017
  659   2H3   AHA  91           HB2      ACA  91  -7.882  -1.459   6.099
  660   1H4   AHA  91           HG1      ACA  91  -5.763  -0.851   5.560
  661   2H4   AHA  91           HG2      ACA  91  -5.291  -2.502   5.185
  662   1H5   AHA  91           HD1      ACA  91  -5.070  -2.988   7.609
  663   2H5   AHA  91           HD2      ACA  91  -5.538  -1.333   7.982
  664   1H6   AHA  91           HE1      ACA  91  -3.598  -0.464   6.827
  665   2H6   AHA  91           HE2      ACA  91  -3.164  -2.065   6.240
  666   1H    AHA  91           HZ1      ACA  91  -3.387  -2.213   9.012
  667   2H    AHA  91           HZ2      ACA  91  -2.469  -0.816   8.661
  668   3H    AHA  91           HZ3      ACA  91  -1.977  -2.345   8.063