NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
583480 |
2mkm   |
19784 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 4 DT H3' 4 DT H1' 5.49 (#peak 33)
&rst
ixpk= 33, nxpk= 0, iat= 124, 108, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 4 DT H2' 4 DT H1' 4.51 (#peak 34)
&rst
ixpk= 34, nxpk= 0, iat= 126, 108, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 4 DT H2'' 4 DT H1' 4.97 (#peak 35)
&rst
ixpk= 35, nxpk= 0, iat= 127, 108, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 4 DT H3' 4 DT H2'' 4.73 (#peak 46)
&rst
ixpk= 46, nxpk= 0, iat= 124, 127, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 4 DT H2'' 4 DT H6 4.21 (#peak 55)
&rst
ixpk= 55, nxpk= 0, iat= 127, 111, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 4 DT H3' 4 DT H2' 5.14 (#peak 60)
&rst
ixpk= 60, nxpk= 0, iat= 124, 126, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 4 DT H2' 4 DT Q7 5.75 (#peak 64)
&rst
ixpk= 64, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 114, 115, 116,
&end
#
# 4 DT H2' 4 DT H6 4.24 (#peak 68)
&rst
ixpk= 68, nxpk= 0, iat= 126, 111, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 4 DT H4' 4 DT H3' 4.80 (#peak 73)
&rst
ixpk= 73, nxpk= 0, iat= 105, 124, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 4 DT H5'' 4 DT H3' 4.92 (#peak 74)
&rst
ixpk= 74, nxpk= 0, iat= 103, 124, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 4 DT H5' 4 DT H3' 5.36 (#peak 75)
&rst
ixpk= 75, nxpk= 0, iat= 102, 124, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 4 DT H5'' 4 DT H4' 4.68 (#peak 88)
&rst
ixpk= 88, nxpk= 0, iat= 103, 105, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 4 DT H5' 5 DG H8 5.59 (#peak 94)
&rst
ixpk= 94, nxpk= 0, iat= 102, 143, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 4 DT H5'' 4 DT H6 6.67 (#peak 107)
&rst
ixpk= 107, nxpk= 0, iat= 103, 111, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17, &end
#
# 4 DT H4' 5 DG H8 6.21 (#peak 118)
&rst
ixpk= 118, nxpk= 0, iat= 105, 143, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 8 DG H2'' 8 DG H1' 4.59 (#peak 183)
&rst
ixpk= 183, nxpk= 0, iat= 258, 238, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 8 DG H2' 8 DG H1' 5.06 (#peak 184)
&rst
ixpk= 184, nxpk= 0, iat= 257, 238, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 8 DG H1' 9 DT H6 5.51 (#peak 189)
&rst
ixpk= 189, nxpk= 0, iat= 238, 274, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 8 DG H1' 9 DT Q7 4.27 (#peak 192)
&rst
ixpk= 192, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 277, 278, 279,
&end
#
# 8 DG H5' 8 DG H2' 6.46 (#peak 194)
&rst
ixpk= 194, nxpk= 0, iat= 232, 257, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 8 DG H5' 8 DG H2' 6.53 (#peak 195)
&rst
ixpk= 195, nxpk= 0, iat= 233, 257, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, &end
#
# 8 DG H4' 8 DG H2' 5.62 (#peak 196)
&rst
ixpk= 196, nxpk= 0, iat= 235, 257, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 8 DG H2' 8 DG H2'' 4.19 (#peak 204)
&rst
ixpk= 204, nxpk= 0, iat= 257, 258, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 8 DG H2' 8 DG H8 3.92 (#peak 207)
&rst
ixpk= 207, nxpk= 0, iat= 257, 241, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 8 DG H2' 9 DT Q7 5.97 (#peak 209)
&rst
ixpk= 209, nxpk= 0, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2= 277, 278, 279,
&end
#
# 8 DG H5' 8 DG H2'' 6.24 (#peak 212)
&rst
ixpk= 212, nxpk= 0, iat= 233, 258, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 8 DG H4' 8 DG H2'' 4.81 (#peak 213)
&rst
ixpk= 213, nxpk= 0, iat= 235, 258, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 8 DG H2'' 9 DT H6 5.44 (#peak 223)
&rst
ixpk= 223, nxpk= 0, iat= 258, 274, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 8 DG H3' 8 DG H8 6.59 (#peak 235)
&rst
ixpk= 235, nxpk= 0, iat= 255, 241, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, &end
#
# 1 DG5 H5'' 1 DG5 H4' 4.48 (#peak 248)
&rst
ixpk= 248, nxpk= 0, iat= 5, 7, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 1 DG5 H5' 1 DG5 H4' 4.18 (#peak 249)
&rst
ixpk= 249, nxpk= 0, iat= 4, 7, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 1 DG5 H4' 1 DG5 H2'' 5.64 (#peak 252)
&rst
ixpk= 252, nxpk= 0, iat= 7, 30, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 1 DG5 H4' 1 DG5 H2' 5.53 (#peak 253)
&rst
ixpk= 253, nxpk= 0, iat= 7, 29, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 1 DG5 H4' 1 DG5 H3' 4.43 (#peak 256)
&rst
ixpk= 256, nxpk= 0, iat= 7, 27, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 1 DG5 H5' 1 DG5 H2'' 6.35 (#peak 273)
&rst
ixpk= 273, nxpk= 0, iat= 4, 30, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end
#
# 1 DG5 H5' 1 DG5 H3' 4.62 (#peak 277)
&rst
ixpk= 277, nxpk= 0, iat= 4, 27, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 1 DG5 H5' 2 DG H8 6.56 (#peak 278)
&rst
ixpk= 278, nxpk= 0, iat= 4, 46, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, &end
#
# 8 DG H4' 8 DG H8 6.03 (#peak 296)
&rst
ixpk= 296, nxpk= 0, iat= 235, 241, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 8 DG H4' 9 DT H6 5.52 (#peak 297)
&rst
ixpk= 297, nxpk= 0, iat= 235, 274, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 8 DG H5' 8 DG H8 6.10 (#peak 307)
&rst
ixpk= 307, nxpk= 0, iat= 233, 241, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 1 DG5 H5'' 1 DG5 H3' 5.37 (#peak 330)
&rst
ixpk= 330, nxpk= 0, iat= 5, 27, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 3 DT H5'' 3 DT H2'' 6.16 (#peak 393)
&rst
ixpk= 393, nxpk= 0, iat= 71, 95, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66, &end
#
# 3 DT H3' 3 DT H2'' 4.78 (#peak 396)
&rst
ixpk= 396, nxpk= 0, iat= 92, 95, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 3 DT H2'' 4 DT H6 5.29 (#peak 399)
&rst
ixpk= 399, nxpk= 0, iat= 95, 111, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 3 DT H2'' 3 DT H6 4.87 (#peak 401)
&rst
ixpk= 401, nxpk= 0, iat= 95, 79, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 3 DT H2'' 3 DT H2' 4.27 (#peak 409)
&rst
ixpk= 409, nxpk= 0, iat= 95, 94, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 11 DG3 H4' 11 DG3 H1' 5.46 (#peak 428)
&rst
ixpk= 428, nxpk= 0, iat= 333, 336, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 11 DG3 H3' 11 DG3 H1' 6.24 (#peak 429)
&rst
ixpk= 429, nxpk= 0, iat= 353, 336, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, &end
#
# 11 DG3 H2'' 11 DG3 H1' 5.60 (#peak 430)
&rst
ixpk= 430, nxpk= 0, iat= 356, 336, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 11 DG3 H2' 11 DG3 H1' 4.70 (#peak 431)
&rst
ixpk= 431, nxpk= 0, iat= 355, 336, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 11 DG3 H1' 11 DG3 H8 5.76 (#peak 434)
&rst
ixpk= 434, nxpk= 0, iat= 336, 339, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 11 DG3 H5'' 11 DG3 H2' 5.02 (#peak 437)
&rst
ixpk= 437, nxpk= 0, iat= 331, 355, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 11 DG3 H4' 11 DG3 H2' 5.48 (#peak 439)
&rst
ixpk= 439, nxpk= 0, iat= 333, 355, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 11 DG3 H2'' 11 DG3 H2' 4.55 (#peak 441)
&rst
ixpk= 441, nxpk= 0, iat= 356, 355, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 11 DG3 H2' 11 DG3 H8 5.18 (#peak 451)
&rst
ixpk= 451, nxpk= 0, iat= 355, 339, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 11 DG3 H5'' 11 DG3 H2'' 5.34 (#peak 454)
&rst
ixpk= 454, nxpk= 0, iat= 331, 356, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 11 DG3 H4' 11 DG3 H2'' 6.21 (#peak 456)
&rst
ixpk= 456, nxpk= 0, iat= 333, 356, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71, &end
#
# 11 DG3 H2'' 11 DG3 H8 4.56 (#peak 466)
&rst
ixpk= 466, nxpk= 0, iat= 356, 339, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 6 DG H4' 6 DG H1' 4.62 (#peak 477)
&rst
ixpk= 477, nxpk= 0, iat= 170, 173, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 6 DG H3' 6 DG H1' 6.04 (#peak 478)
&rst
ixpk= 478, nxpk= 0, iat= 190, 173, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, &end
#
# 6 DG H2'' 6 DG H1' 4.46 (#peak 479)
&rst
ixpk= 479, nxpk= 0, iat= 193, 173, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 6 DG H2' 6 DG H1' 4.84 (#peak 480)
&rst
ixpk= 480, nxpk= 0, iat= 192, 173, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 6 DG H1' 6 DG H8 5.10 (#peak 483)
&rst
ixpk= 483, nxpk= 0, iat= 173, 176, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 6 DG H1' 7 DT Q7 6.11 (#peak 487)
&rst
ixpk= 487, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr2= 212, 213, 214,
&end
#
# 10 DG H8 11 DG3 H4' 5.81 (#peak 513)
&rst
ixpk= 513, nxpk= 0, iat= 306, 333, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 11 DG3 H5' 11 DG3 H8 6.19 (#peak 524)
&rst
ixpk= 524, nxpk= 0, iat= 330, 339, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 10 DG H1' 11 DG3 H5' 5.17 (#peak 525)
&rst
ixpk= 525, nxpk= 0, iat= 303, 330, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 8 DG HX' 10 DG H8 6.15 (#peak 526)
&rst
ixpk= 526, nxpk= 0, iat= 233, 306, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 11 DG3 H5'' 11 DG3 H8 5.10 (#peak 536)
&rst
ixpk= 536, nxpk= 0, iat= 331, 339, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 3 DT H5'' 3 DT H4' 4.79 (#peak 544)
&rst
ixpk= 544, nxpk= 0, iat= 71, 73, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 3 DT H4' 3 DT H2' 6.19 (#peak 563)
&rst
ixpk= 563, nxpk= 0, iat= 73, 94, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 3 DT H4' 3 DT H6 5.80 (#peak 567)
&rst
ixpk= 567, nxpk= 0, iat= 73, 79, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 4 DT H6 4 DT Q7 4.01 (#peak 573)
&rst
ixpk= 573, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 114, 115, 116,
&end
#
# 3 DT H6 4 DT Q7 5.33 (#peak 581)
&rst
ixpk= 581, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 114, 115, 116,
&end
#
# 7 DT H6 8 DG H8 6.69 (#peak 595)
&rst
ixpk= 595, nxpk= 0, iat= 209, 241, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, &end
#
# 6 DG H8 7 DT H6 5.70 (#peak 596)
&rst
ixpk= 596, nxpk= 0, iat= 176, 209, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 7 DT H5' 7 DT H6 6.48 (#peak 602)
&rst
ixpk= 602, nxpk= 0, iat= 200, 209, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 7 DT HX' 7 DT H6 6.48 (#peak 603)
&rst
ixpk= 603, nxpk= 0, iat= 203, 209, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, &end
#
# 7 DT H5'' 7 DT H6 5.95 (#peak 604)
&rst
ixpk= 604, nxpk= 0, iat= 201, 209, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 7 DT H3' 7 DT H6 5.13 (#peak 605)
&rst
ixpk= 605, nxpk= 0, iat= 222, 209, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 7 DT H1' 7 DT H6 5.56 (#peak 606)
&rst
ixpk= 606, nxpk= 0, iat= 206, 209, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 7 DT H6 7 DT Q7 4.04 (#peak 607)
&rst
ixpk= 607, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 212, 213, 214,
&end
#
# 7 DT H2' 7 DT H6 4.80 (#peak 608)
&rst
ixpk= 608, nxpk= 0, iat= 224, 209, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 7 DT H2'' 7 DT H6 5.04 (#peak 609)
&rst
ixpk= 609, nxpk= 0, iat= 225, 209, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 6 DG H2' 7 DT H6 4.97 (#peak 611)
&rst
ixpk= 611, nxpk= 0, iat= 192, 209, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 6 DG H3' 7 DT H6 6.77 (#peak 613)
&rst
ixpk= 613, nxpk= 0, iat= 190, 209, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27, &end
#
# 6 DG H2'' 7 DT H6 4.43 (#peak 616)
&rst
ixpk= 616, nxpk= 0, iat= 193, 209, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 6 DG H2' 7 DT Q7 5.33 (#peak 629)
&rst
ixpk= 629, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 212, 213, 214,
&end
#
# 6 DG H8 7 DT Q7 4.53 (#peak 630)
&rst
ixpk= 630, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 212, 213, 214,
&end
#
# 1 DG5 H3' 1 DG5 H2'' 4.35 (#peak 654)
&rst
ixpk= 654, nxpk= 0, iat= 27, 30, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 1 DG5 H2'' 2 DG H8 4.58 (#peak 655)
&rst
ixpk= 655, nxpk= 0, iat= 30, 46, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 1 DG5 H2' 1 DG5 H2'' 4.20 (#peak 663)
&rst
ixpk= 663, nxpk= 0, iat= 29, 30, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 1 DG5 H2'' 1 DG5 H1' 5.19 (#peak 664)
&rst
ixpk= 664, nxpk= 0, iat= 30, 10, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 6 DG H5' 6 DG H8 6.35 (#peak 683)
&rst
ixpk= 683, nxpk= 0, iat= 167, 176, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end
#
# 6 DG H3' 6 DG H8 6.09 (#peak 685)
&rst
ixpk= 685, nxpk= 0, iat= 190, 176, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 6 DG H2' 6 DG H8 4.26 (#peak 687)
&rst
ixpk= 687, nxpk= 0, iat= 192, 176, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 5 DG H2'' 6 DG H8 4.45 (#peak 692)
&rst
ixpk= 692, nxpk= 0, iat= 160, 176, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 5 DG H8 6 DG H8 6.19 (#peak 694)
&rst
ixpk= 694, nxpk= 0, iat= 143, 176, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, &end
#
# 5 DG H3' 6 DG H8 5.76 (#peak 695)
&rst
ixpk= 695, nxpk= 0, iat= 157, 176, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 5 DG H2' 6 DG H8 5.03 (#peak 698)
&rst
ixpk= 698, nxpk= 0, iat= 159, 176, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 7 DT H3' 8 DG H8 5.17 (#peak 708)
&rst
ixpk= 708, nxpk= 0, iat= 222, 241, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 7 DT H2'' 8 DG H8 5.45 (#peak 709)
&rst
ixpk= 709, nxpk= 0, iat= 225, 241, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 8 DG H8 9 DT Q7 5.93 (#peak 711)
&rst
ixpk= 711, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 277, 278, 279,
&end
#
# 7 DT HX' 7 DT H2'' 5.35 (#peak 755)
&rst
ixpk= 755, nxpk= 0, iat= 203, 225, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 7 DT H5'' 7 DT H2'' 5.66 (#peak 756)
&rst
ixpk= 756, nxpk= 0, iat= 201, 225, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 7 DT H3' 7 DT H2'' 4.83 (#peak 757)
&rst
ixpk= 757, nxpk= 0, iat= 222, 225, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 7 DT H2'' 7 DT H1' 4.89 (#peak 758)
&rst
ixpk= 758, nxpk= 0, iat= 225, 206, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 7 DT H2'' 7 DT H2' 4.62 (#peak 765)
&rst
ixpk= 765, nxpk= 0, iat= 225, 224, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 7 DT HX' 7 DT H2' 6.10 (#peak 769)
&rst
ixpk= 769, nxpk= 0, iat= 203, 224, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 7 DT H5'' 7 DT H2' 6.46 (#peak 770)
&rst
ixpk= 770, nxpk= 0, iat= 201, 224, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96, &end
#
# 7 DT H3' 7 DT H2' 4.91 (#peak 771)
&rst
ixpk= 771, nxpk= 0, iat= 222, 224, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 7 DT H2' 7 DT H1' 5.78 (#peak 772)
&rst
ixpk= 772, nxpk= 0, iat= 224, 206, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 7 DT H5'' 7 DT H1' 6.27 (#peak 786)
&rst
ixpk= 786, nxpk= 0, iat= 201, 206, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 7 DT H3' 7 DT H1' 6.15 (#peak 787)
&rst
ixpk= 787, nxpk= 0, iat= 222, 206, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, &end
#
# 9 DT H1' 9 DT H6 4.99 (#peak 821)
&rst
ixpk= 821, nxpk= 0, iat= 271, 274, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 9 DT H4' 9 DT H1' 6.12 (#peak 824)
&rst
ixpk= 824, nxpk= 0, iat= 268, 271, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 9 DT H5'' 9 DT H1' 6.13 (#peak 825)
&rst
ixpk= 825, nxpk= 0, iat= 266, 271, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, &end
#
# 9 DT H3' 9 DT H1' 5.44 (#peak 827)
&rst
ixpk= 827, nxpk= 0, iat= 287, 271, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 9 DT H2'' 9 DT H1' 4.36 (#peak 830)
&rst
ixpk= 830, nxpk= 0, iat= 290, 271, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 9 DT H2' 9 DT H1' 4.75 (#peak 831)
&rst
ixpk= 831, nxpk= 0, iat= 289, 271, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 9 DT H4' 9 DT H6 6.50 (#peak 840)
&rst
ixpk= 840, nxpk= 0, iat= 268, 274, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 9 DT H5'' 9 DT H6 5.44 (#peak 841)
&rst
ixpk= 841, nxpk= 0, iat= 266, 274, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 9 DT H5' 9 DT H6 5.30 (#peak 842)
&rst
ixpk= 842, nxpk= 0, iat= 265, 274, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 9 DT H3' 9 DT H6 5.41 (#peak 843)
&rst
ixpk= 843, nxpk= 0, iat= 287, 274, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 9 DT H6 9 DT Q7 3.95 (#peak 844)
&rst
ixpk= 844, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 277, 278, 279,
&end
#
# 9 DT H2'' 9 DT H6 5.09 (#peak 846)
&rst
ixpk= 846, nxpk= 0, iat= 290, 274, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 9 DT H2' 9 DT H6 4.55 (#peak 847)
&rst
ixpk= 847, nxpk= 0, iat= 289, 274, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 9 DT H5'' 9 DT Q7 5.13 (#peak 854)
&rst
ixpk= 854, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 277, 278, 279,
&end
#
# 10 DG H2' 10 DG H8 6.70 (#peak 897)
&rst
ixpk= 897, nxpk= 0, iat= 322, 306, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20, &end
#
# 10 DG H2'' 10 DG H8 6.26 (#peak 898)
&rst
ixpk= 898, nxpk= 0, iat= 323, 306, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, &end
#
# 10 DG H1' 10 DG H8 4.58 (#peak 899)
&rst
ixpk= 899, nxpk= 0, iat= 303, 306, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 10 DG H1' 11 DG3 H8 5.99 (#peak 905)
&rst
ixpk= 905, nxpk= 0, iat= 303, 339, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 10 DG H4' 10 DG H1' 5.40 (#peak 909)
&rst
ixpk= 909, nxpk= 0, iat= 300, 303, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 10 DG H3' 10 DG H1' 5.87 (#peak 910)
&rst
ixpk= 910, nxpk= 0, iat= 320, 303, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 10 DG H2' 10 DG H1' 5.35 (#peak 911)
&rst
ixpk= 911, nxpk= 0, iat= 322, 303, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 10 DG H2'' 10 DG H1' 4.92 (#peak 912)
&rst
ixpk= 912, nxpk= 0, iat= 323, 303, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 10 DG H5' 10 DG H2'' 5.90 (#peak 915)
&rst
ixpk= 915, nxpk= 0, iat= 297, 323, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 10 DG H4' 10 DG H2'' 5.96 (#peak 916)
&rst
ixpk= 916, nxpk= 0, iat= 300, 323, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 9 DT H3' 9 DT H2'' 4.45 (#peak 929)
&rst
ixpk= 929, nxpk= 0, iat= 287, 290, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 9 DT H2'' 9 DT H2' 4.10 (#peak 935)
&rst
ixpk= 935, nxpk= 0, iat= 290, 289, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 10 DG H5' 10 DG H2' 5.36 (#peak 937)
&rst
ixpk= 937, nxpk= 0, iat= 297, 322, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 10 DG H4' 10 DG H2' 5.56 (#peak 938)
&rst
ixpk= 938, nxpk= 0, iat= 300, 322, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 10 DG H3' 10 DG H2' 5.19 (#peak 939)
&rst
ixpk= 939, nxpk= 0, iat= 320, 322, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 10 DG H2' 11 DG3 H8 5.40 (#peak 940)
&rst
ixpk= 940, nxpk= 0, iat= 322, 339, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 10 DG H5' 10 DG H4' 4.00 (#peak 954)
&rst
ixpk= 954, nxpk= 0, iat= 297, 300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 1 DG5 H8 2 DG H8 6.10 (#peak 983)
&rst
ixpk= 983, nxpk= 0, iat= 13, 46, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, &end
#
# 1 DG5 H1' 1 DG5 H8 3.94 (#peak 989)
&rst
ixpk= 989, nxpk= 0, iat= 10, 13, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 1 DG5 H8 2 DG H1' 5.71 (#peak 992)
&rst
ixpk= 992, nxpk= 0, iat= 13, 43, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 1 DG5 H8 2 DG H5'' 5.50 (#peak 994)
&rst
ixpk= 994, nxpk= 0, iat= 13, 38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 1 DG5 H1' 2 DG H8 5.63 (#peak 1000)
&rst
ixpk= 1000, nxpk= 0, iat= 10, 46, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 1 DG5 H3' 1 DG5 H1' 5.76 (#peak 1003)
&rst
ixpk= 1003, nxpk= 0, iat= 27, 10, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 1 DG5 H2' 1 DG5 H1' 4.71 (#peak 1004)
&rst
ixpk= 1004, nxpk= 0, iat= 29, 10, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 1 DG5 H1' 2 DG H5'' 4.96 (#peak 1006)
&rst
ixpk= 1006, nxpk= 0, iat= 10, 38, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 1 DG5 H1' 2 DG H5' 5.49 (#peak 1009)
&rst
ixpk= 1009, nxpk= 0, iat= 10, 37, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 1 DG5 H3' 1 DG5 H2' 4.55 (#peak 1013)
&rst
ixpk= 1013, nxpk= 0, iat= 27, 29, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 1 DG5 H2' 2 DG H8 4.30 (#peak 1014)
&rst
ixpk= 1014, nxpk= 0, iat= 29, 46, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 1 DG5 H3' 2 DG H8 5.23 (#peak 1026)
&rst
ixpk= 1026, nxpk= 0, iat= 27, 46, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 5 DG H4' 5 DG H2' 4.94 (#peak 1057)
&rst
ixpk= 1057, nxpk= 0, iat= 137, 159, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 5 DG H5' 5 DG H2' 5.43 (#peak 1058)
&rst
ixpk= 1058, nxpk= 0, iat= 134, 159, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 5 DG H2' 5 DG H2'' 4.25 (#peak 1067)
&rst
ixpk= 1067, nxpk= 0, iat= 159, 160, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 5 DG H2' 5 DG H1' 5.04 (#peak 1071)
&rst
ixpk= 1071, nxpk= 0, iat= 159, 140, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 5 DG H2' 5 DG H8 5.94 (#peak 1072)
&rst
ixpk= 1072, nxpk= 0, iat= 159, 143, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 5 DG H5' 5 DG H8 6.12 (#peak 1104)
&rst
ixpk= 1104, nxpk= 0, iat= 134, 143, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, &end
#
# 5 DG H1' 5 DG H8 3.79 (#peak 1108)
&rst
ixpk= 1108, nxpk= 0, iat= 140, 143, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 5 DG H8 6 DG H4' 5.52 (#peak 1112)
&rst
ixpk= 1112, nxpk= 0, iat= 143, 170, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 5 DG H5' 5 DG H1' 5.12 (#peak 1119)
&rst
ixpk= 1119, nxpk= 0, iat= 134, 140, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 5 DG H3' 5 DG H1' 5.57 (#peak 1121)
&rst
ixpk= 1121, nxpk= 0, iat= 157, 140, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 5 DG H2'' 5 DG H1' 4.48 (#peak 1122)
&rst
ixpk= 1122, nxpk= 0, iat= 160, 140, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 5 DG H4' 5 DG H2'' 5.44 (#peak 1124)
&rst
ixpk= 1124, nxpk= 0, iat= 137, 160, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 5 DG H5' 5 DG H2'' 5.68 (#peak 1125)
&rst
ixpk= 1125, nxpk= 0, iat= 134, 160, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 2 DG H5'' 2 DG H8 6.20 (#peak 1144)
&rst
ixpk= 1144, nxpk= 0, iat= 38, 46, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 2 DG H2' 2 DG H8 4.12 (#peak 1149)
&rst
ixpk= 1149, nxpk= 0, iat= 62, 46, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 2 DG H1' 2 DG H8 5.34 (#peak 1150)
&rst
ixpk= 1150, nxpk= 0, iat= 43, 46, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 5 DG H5'' 5 DG H4' 3.85 (#peak 1165)
&rst
ixpk= 1165, nxpk= 0, iat= 135, 137, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 5 DG H5' 5 DG H4' 4.23 (#peak 1170)
&rst
ixpk= 1170, nxpk= 0, iat= 134, 137, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 3 DT H5'' 3 DT H2' 5.60 (#peak 1185)
&rst
ixpk= 1185, nxpk= 0, iat= 71, 94, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 3 DT H3' 3 DT H2' 4.59 (#peak 1186)
&rst
ixpk= 1186, nxpk= 0, iat= 92, 94, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 3 DT H2' 3 DT H6 5.43 (#peak 1188)
&rst
ixpk= 1188, nxpk= 0, iat= 94, 79, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 3 DT H5'' 3 DT H6 5.11 (#peak 1203)
&rst
ixpk= 1203, nxpk= 0, iat= 71, 79, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 3 DT H3' 3 DT H6 5.65 (#peak 1204)
&rst
ixpk= 1204, nxpk= 0, iat= 92, 79, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 3 DT H6 3 DT Q7 4.33 (#peak 1205)
&rst
ixpk= 1205, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 82, 83, 84,
&end
#
# 3 DT H1' 3 DT H6 6.44 (#peak 1207)
&rst
ixpk= 1207, nxpk= 0, iat= 76, 79, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, &end
#
# 2 DG H2' 3 DT H6 5.77 (#peak 1209)
&rst
ixpk= 1209, nxpk= 0, iat= 62, 79, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 2 DG H3' 3 DT H6 6.72 (#peak 1210)
&rst
ixpk= 1210, nxpk= 0, iat= 60, 79, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, &end
#
# 2 DG H2'' 3 DT H6 5.10 (#peak 1211)
&rst
ixpk= 1211, nxpk= 0, iat= 63, 79, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 2 DG H1' 3 DT H6 6.18 (#peak 1212)
&rst
ixpk= 1212, nxpk= 0, iat= 43, 79, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68, &end
#
# 6 DG H4' 6 DG H2' 5.59 (#peak 1232)
&rst
ixpk= 1232, nxpk= 0, iat= 170, 192, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 6 DG H2'' 6 DG H2' 4.06 (#peak 1234)
&rst
ixpk= 1234, nxpk= 0, iat= 193, 192, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 6 DG H5' 6 DG H2'' 6.62 (#peak 1242)
&rst
ixpk= 1242, nxpk= 0, iat= 167, 193, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, &end
#
# 6 DG H4' 6 DG H2'' 5.63 (#peak 1243)
&rst
ixpk= 1243, nxpk= 0, iat= 170, 193, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 6 DG H5' 6 DG H4' 3.79 (#peak 1260)
&rst
ixpk= 1260, nxpk= 0, iat= 167, 170, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 2 DG H4' 2 DG H1' 4.84 (#peak 1293)
&rst
ixpk= 1293, nxpk= 0, iat= 40, 43, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 2 DG H3' 2 DG H1' 5.47 (#peak 1294)
&rst
ixpk= 1294, nxpk= 0, iat= 60, 43, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 2 DG H2'' 2 DG H1' 4.58 (#peak 1295)
&rst
ixpk= 1295, nxpk= 0, iat= 63, 43, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 2 DG H2' 2 DG H1' 5.02 (#peak 1296)
&rst
ixpk= 1296, nxpk= 0, iat= 62, 43, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 2 DG H5' 2 DG H2' 6.03 (#peak 1300)
&rst
ixpk= 1300, nxpk= 0, iat= 37, 62, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, &end
#
# 2 DG H4' 2 DG H2' 5.56 (#peak 1301)
&rst
ixpk= 1301, nxpk= 0, iat= 40, 62, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 2 DG H2'' 2 DG H2' 4.11 (#peak 1303)
&rst
ixpk= 1303, nxpk= 0, iat= 63, 62, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 2 DG H4' 2 DG H2'' 5.53 (#peak 1314)
&rst
ixpk= 1314, nxpk= 0, iat= 40, 63, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 2 DG H5'' 2 DG H4' 4.12 (#peak 1335)
&rst
ixpk= 1335, nxpk= 0, iat= 38, 40, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 2 DG H5' 2 DG H4' 4.00 (#peak 1336)
&rst
ixpk= 1336, nxpk= 0, iat= 37, 40, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 DT H5'' 3 DT Q7 6.62 (#peak 1349)
&rst
ixpk= 1349, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr2= 82, 83, 84,
&end
#
# 3 DT H5'' 3 DT H3' 4.62 (#peak 1351)
&rst
ixpk= 1351, nxpk= 0, iat= 71, 92, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 9 DT H5' 9 DT H2' 6.27 (#peak 1369)
&rst
ixpk= 1369, nxpk= 0, iat= 265, 289, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, &end
#
# 9 DT H4' 9 DT H3' 4.95 (#peak 1370)
&rst
ixpk= 1370, nxpk= 0, iat= 268, 287, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 9 DT H5'' 9 DT H3' 5.16 (#peak 1371)
&rst
ixpk= 1371, nxpk= 0, iat= 266, 287, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 9 DT H5' 9 DT H3' 4.48 (#peak 1372)
&rst
ixpk= 1372, nxpk= 0, iat= 265, 287, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 9 DT H3' 9 DT H2' 4.21 (#peak 1374)
&rst
ixpk= 1374, nxpk= 0, iat= 287, 289, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 7 DT H6 8 DG H8 5.70 (#peak 1375)
&rst
ixpk= 1375, nxpk= 0, iat= 209, 241, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 1 DG5 H4' 1 DG5 H1' 5.60 (#peak 1376)
&rst
ixpk= 1376, nxpk= 0, iat= 7, 10, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 3 DT H3' 4 DT Q7 5.14 (#peak 1378)
&rst
ixpk= 1378, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 114, 115, 116,
&end
#
# 8 DG H1' 8 DG H8 5.29 (#peak 1379)
&rst
ixpk= 1379, nxpk= 0, iat= 238, 241, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 9 DT H4' 10 DG H4' 6.07 (#peak 1380)
&rst
ixpk= 1380, nxpk= 0, iat= 268, 300, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, &end
#
# 5 DG H8 6 DG H22 6.50 (#peak 1381)
&rst
ixpk= 1381, nxpk= 0, iat= 143, 186, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 3 DT H5'' 4 DT Q7 6.27 (#peak 1382)
&rst
ixpk= 1382, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr2= 114, 115, 116,
&end
#
# 3 DT H3' 3 DT Q7 6.03 (#peak 1383)
&rst
ixpk= 1383, nxpk= 0, iat= 92, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr2= 82, 83, 84,
&end
#
# 4 DT H3' 4 DT Q7 6.37 (#peak 1384)
&rst
ixpk= 1384, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
igr2= 114, 115, 116,
&end
#
# 1 DG5 H2' 2 DG H5' 5.90 (#peak 1385)
&rst
ixpk= 1385, nxpk= 0, iat= 29, 37, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 1 DG5 H2' 2 DG H5'' 5.67 (#peak 1386)
&rst
ixpk= 1386, nxpk= 0, iat= 29, 38, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 2 DG H1' 3 DT H4' 4.93 (#peak 1388)
&rst
ixpk= 1388, nxpk= 0, iat= 43, 73, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 1 DG5 H21 5 DG H2' 7.50 (#peak 2)
&rst
ixpk= 2, nxpk= 0, iat= 22, 159, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 3 DT H2'' 11 DG3 H21 7.50 (#peak 6)
&rst
ixpk= 6, nxpk= 0, iat= 95, 348, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 5 DG H2'' 5 DG H1 7.50 (#peak 129)
&rst
ixpk= 129, nxpk= 0, iat= 160, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 4 DT H2' 4 DT H3 7.50 (#peak 207)
&rst
ixpk= 207, nxpk= 0, iat= 126, 120, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H2' 5 DG Q2 7.50 (#peak 226)
&rst
ixpk= 226, nxpk= 0, iat= 29, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 152, 153,
&end
#
# 1 DG5 H2' 5 DG H1 7.50 (#peak 227)
&rst
ixpk= 227, nxpk= 0, iat= 29, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H2' 1 DG5 H21 7.50 (#peak 229)
&rst
ixpk= 229, nxpk= 0, iat= 29, 22, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H2' 1 DG5 H1 7.50 (#peak 230)
&rst
ixpk= 230, nxpk= 0, iat= 29, 19, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H2'' 5 DG Q2 7.50 (#peak 248)
&rst
ixpk= 248, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 152, 153,
&end
#
# 1 DG5 H2'' 5 DG H1 7.50 (#peak 249)
&rst
ixpk= 249, nxpk= 0, iat= 30, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H2'' 1 DG5 H21 7.50 (#peak 251)
&rst
ixpk= 251, nxpk= 0, iat= 30, 22, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H5'' 8 DG H1 7.50 (#peak 270)
&rst
ixpk= 270, nxpk= 0, iat= 5, 247, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 6 DG H2' 7 DT H6 7.50 (#peak 971)
&rst
ixpk= 971, nxpk= 0, iat= 192, 209, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 6 DG H1' 6 DG H1 7.50 (#peak 1095)
&rst
ixpk= 1095, nxpk= 0, iat= 173, 182, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 6 DG H1 6 DG H8 7.50 (#peak 1096)
&rst
ixpk= 1096, nxpk= 0, iat= 182, 176, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 6 DG H1 7 DT H1' 7.50 (#peak 1098)
&rst
ixpk= 1098, nxpk= 0, iat= 182, 206, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 6 DG H1 11 DG3 H21 7.50 (#peak 1102)
&rst
ixpk= 1102, nxpk= 0, iat= 182, 348, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 6 DG H1 11 DG3 H1 7.50 (#peak 1103)
&rst
ixpk= 1103, nxpk= 0, iat= 182, 345, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 5 DG H1 6 DG H1 7.50 (#peak 1104)
&rst
ixpk= 1104, nxpk= 0, iat= 149, 182, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H1 6 DG H1 7.50 (#peak 1105)
&rst
ixpk= 1105, nxpk= 0, iat= 19, 182, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 6 DG H1 7 DT H3 7.50 (#peak 1106)
&rst
ixpk= 1106, nxpk= 0, iat= 182, 218, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 4 DT H4' 11 DG3 H21 7.50 (#peak 1116)
&rst
ixpk= 1116, nxpk= 0, iat= 105, 348, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 4 DT H5'' 11 DG3 H21 7.50 (#peak 1117)
&rst
ixpk= 1117, nxpk= 0, iat= 103, 348, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 4 DT H5' 11 DG3 H21 7.50 (#peak 1118)
&rst
ixpk= 1118, nxpk= 0, iat= 102, 348, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 6 DG H1' 11 DG3 H21 7.50 (#peak 1123)
&rst
ixpk= 1123, nxpk= 0, iat= 173, 348, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 5 DG H8 11 DG3 H21 7.50 (#peak 1126)
&rst
ixpk= 1126, nxpk= 0, iat= 143, 348, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 4 DT H4' 11 DG3 H1 7.50 (#peak 1131)
&rst
ixpk= 1131, nxpk= 0, iat= 105, 345, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 4 DT H5'' 11 DG3 H1 7.50 (#peak 1132)
&rst
ixpk= 1132, nxpk= 0, iat= 103, 345, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 4 DT H5' 11 DG3 H1 7.50 (#peak 1133)
&rst
ixpk= 1133, nxpk= 0, iat= 102, 345, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 3 DT H6 11 DG3 H1 7.50 (#peak 1142)
# &rst
# ixpk= 1142, nxpk= 0, iat= 79, 345, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H3' 5 DG Q2 7.50 (#peak 1154)
&rst
ixpk= 1154, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 152, 153,
&end
#
# 1 DG5 H5'' 5 DG Q2 7.50 (#peak 1161)
&rst
ixpk= 1161, nxpk= 0, iat= 5, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 152, 153,
&end
#
# 4 DT H4' 5 DG H1 7.50 (#peak 1162)
&rst
ixpk= 1162, nxpk= 0, iat= 105, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 4 DT H5' 5 DG H1 7.50 (#peak 1163)
&rst
ixpk= 1163, nxpk= 0, iat= 102, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H3' 5 DG H1 7.50 (#peak 1169)
&rst
ixpk= 1169, nxpk= 0, iat= 27, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 2 DG H8 5 DG H1 7.50 (#peak 1170)
&rst
ixpk= 1170, nxpk= 0, iat= 46, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 4 DT H1' 5 DG H1 7.50 (#peak 1171)
&rst
ixpk= 1171, nxpk= 0, iat= 108, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 4 DT H6 5 DG H1 7.50 (#peak 1172)
&rst
ixpk= 1172, nxpk= 0, iat= 111, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H22 5 DG H1 7.50 (#peak 1173)
&rst
ixpk= 1173, nxpk= 0, iat= 23, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 5 DG H1 11 DG3 H1 7.50 (#peak 1176)
&rst
ixpk= 1176, nxpk= 0, iat= 149, 345, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 5 DG H1 5 DG Q2 7.50 (#peak 1177)
&rst
ixpk= 1177, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 152, 153,
&end
#
# 1 DG5 H21 5 DG H1 7.50 (#peak 1179)
&rst
ixpk= 1179, nxpk= 0, iat= 22, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H1 5 DG H1 7.50 (#peak 1180)
&rst
ixpk= 1180, nxpk= 0, iat= 19, 149, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H5' 1 DG5 H21 7.50 (#peak 1191)
&rst
ixpk= 1191, nxpk= 0, iat= 4, 22, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H4' 1 DG5 H21 7.50 (#peak 1192)
&rst
ixpk= 1192, nxpk= 0, iat= 7, 22, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H3' 1 DG5 H21 7.50 (#peak 1193)
&rst
ixpk= 1193, nxpk= 0, iat= 27, 22, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H21 6 DG H8 7.50 (#peak 1194)
&rst
ixpk= 1194, nxpk= 0, iat= 22, 176, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H21 7 DT Q7 7.50 (#peak 1197)
&rst
ixpk= 1197, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr2= 212, 213, 214,
&end
#
# 1 DG5 H21 5 DG Q2 7.50 (#peak 1198)
&rst
ixpk= 1198, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 152, 153,
&end
#
# 1 DG5 H5'' 1 DG5 H21 7.50 (#peak 1204)
&rst
ixpk= 1204, nxpk= 0, iat= 5, 22, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H5' 1 DG5 H1 7.50 (#peak 1205)
&rst
ixpk= 1205, nxpk= 0, iat= 4, 19, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H1 6 DG H8 7.50 (#peak 1208)
&rst
ixpk= 1208, nxpk= 0, iat= 19, 176, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H1 7 DT Q7 7.50 (#peak 1211)
&rst
ixpk= 1211, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr2= 212, 213, 214,
&end
#
# 1 DG5 H1 5 DG Q2 7.50 (#peak 1214)
&rst
ixpk= 1214, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 152, 153,
&end
#
# 1 DG5 H1 7 DT H3 7.50 (#peak 1219)
&rst
ixpk= 1219, nxpk= 0, iat= 19, 218, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H1 8 DG H1 7.50 (#peak 1220)
&rst
ixpk= 1220, nxpk= 0, iat= 19, 247, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H5'' 1 DG5 H1 7.50 (#peak 1221)
&rst
ixpk= 1221, nxpk= 0, iat= 5, 19, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 7 DT Q7 10 DG Q2 7.50 (#peak 1226)
&rst
ixpk= 1226, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
igr1= 212, 213, 214,
igr2= 315, 316,
&end
#
# 9 DT H1' 10 DG Q2 7.50 (#peak 1227)
&rst
ixpk= 1227, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 315, 316,
&end
#
# 8 DG H4' 10 DG H1 7.50 (#peak 1235)
&rst
ixpk= 1235, nxpk= 0, iat= 235, 312, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 9 DT Q7 10 DG H1 7.50 (#peak 1240)
&rst
ixpk= 1240, nxpk= 0, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1= 277, 278, 279,
&end
#
# 7 DT Q7 10 DG H1 7.50 (#peak 1241)
&rst
ixpk= 1241, nxpk= 0, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1= 212, 213, 214,
&end
#
# 9 DT H6 10 DG H1 7.50 (#peak 1243)
&rst
ixpk= 1243, nxpk= 0, iat= 274, 312, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 9 DT H2'' 10 DG H1 7.50 (#peak 1244)
&rst
ixpk= 1244, nxpk= 0, iat= 290, 312, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 9 DT H1' 10 DG H1 7.50 (#peak 1245)
&rst
ixpk= 1245, nxpk= 0, iat= 271, 312, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 10 DG H2'' 10 DG H1 7.50 (#peak 1246)
&rst
ixpk= 1246, nxpk= 0, iat= 323, 312, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 8 DG H1 10 DG H1 7.50 (#peak 1250)
&rst
ixpk= 1250, nxpk= 0, iat= 247, 312, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 7 DT H1' 7 DT H3 7.50 (#peak 1272)
&rst
ixpk= 1272, nxpk= 0, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 7 DT H3 7 DT Q7 7.50 (#peak 1273)
&rst
ixpk= 1273, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr2= 212, 213, 214,
&end
#
# 7 DT H2'' 7 DT H3 7.50 (#peak 1275)
&rst
ixpk= 1275, nxpk= 0, iat= 225, 218, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 7 DT H3 7 DT H6 7.50 (#peak 1276)
&rst
ixpk= 1276, nxpk= 0, iat= 218, 209, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 7 DT H3 8 DG H1 7.50 (#peak 1280)
&rst
ixpk= 1280, nxpk= 0, iat= 218, 247, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H5' 8 DG H1 7.50 (#peak 1285)
&rst
ixpk= 1285, nxpk= 0, iat= 4, 247, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H4' 8 DG H1 7.50 (#peak 1286)
&rst
ixpk= 1286, nxpk= 0, iat= 7, 247, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 6 DG H8 8 DG H1 7.50 (#peak 1290)
&rst
ixpk= 1290, nxpk= 0, iat= 176, 247, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 7 DT Q7 8 DG H1 7.50 (#peak 1291)
&rst
ixpk= 1291, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1= 212, 213, 214,
&end
#
# 7 DT H6 8 DG H1 7.50 (#peak 1292)
&rst
ixpk= 1292, nxpk= 0, iat= 209, 247, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H22 8 DG H1 7.50 (#peak 1293)
&rst
ixpk= 1293, nxpk= 0, iat= 23, 247, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H21 8 DG H1 7.50 (#peak 1294)
&rst
ixpk= 1294, nxpk= 0, iat= 22, 247, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 8 DG H1 10 DG Q2 7.50 (#peak 1296)
&rst
ixpk= 1296, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 315, 316,
&end
#
# 4 DT H1' 4 DT H3 7.50 (#peak 1307)
&rst
ixpk= 1307, nxpk= 0, iat= 108, 120, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 1 DG5 H5' 5 DG Q2 7.50 (#peak 1308)
&rst
ixpk= 1308, nxpk= 0, iat= 4, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 152, 153,
&end
#
# 5 DG H8 11 DG3 H1 7.50 (#peak 1311)
&rst
ixpk= 1311, nxpk= 0, iat= 143, 345, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
# LOL
# 1 DG5 O6 10 DG H1 4.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 17, 312, r1= 3.50, r2= 4.00, r3= 10.0, r4= 10.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 1 DG5 O6 10 DG H21 4.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 17, 315, r1= 3.50, r2= 4.0, r3= 10.0, r4= 10.50, &end
#
# 2 DG H1 11 DG3 O6 4.00 10.00
&rst
ixpk= 0, nxpk= 0, iat= 52, 343, r1= 3.50, r2= 4.00, r3= 10.00, r4= 10.50, &end
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