============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 16 0.840 200.698 138.304-115.263 -99.200 -91.000 PHE 27 1.000 213.068 141.817-103.861 -99.200 -91.000 HIS 58 0.900 176.311 126.829-122.348 -99.200 -91.000 TYR 59 0.840 176.610 132.395-123.366 -99.200 -91.000 TYR 60 0.840 175.930 127.269-133.212 -99.200 -91.000 HIS 61 0.900 173.912 122.516-126.906 -99.200 -91.000 HIS 64 0.900 172.150 124.647-134.327 -99.200 -91.000 PHE 68 1.000 169.080 131.466-125.630 -99.200 -91.000 HIS 102 0.900 197.858 150.294-117.277 -99.200 -91.000 PHE 104 1.000 205.351 142.666-116.604 -99.200 -91.000 HIS 111 0.900 208.418 143.134-122.418 -99.200 -91.000 TYR 115 0.840 215.112 131.194-126.232 -99.200 -91.000 PHE 152 1.000 200.766 109.152-130.083 -99.200 -91.000 TRP 194 1.040 187.118 122.946-132.439 -99.200 -91.000 TRP6 194 1.020 186.538 124.666-133.959 -99.200 -91.000 PHE 206 1.000 198.203 103.182-122.495 -99.200 -91.000 HIS 209 0.900 191.050 108.354-115.229 -99.200 -91.000 PHE 223 1.000 183.557 115.943-117.689 -99.200 -91.000 PHE 232 1.000 184.377 114.696-126.344 -99.200 -91.000 PHE 234 1.000 184.783 110.913-123.930 -99.200 -91.000 PHE 280 1.000 210.987 126.038-124.441 -99.200 -91.000 PHE 305 1.000 207.926 127.326-104.943 -99.200 -91.000 TYR 313 0.840 214.869 132.141-105.293 -99.200 -91.000 HIS 326 0.900 194.297 127.158-110.549 -99.200 -91.000 HIS 345 0.900 202.883 125.522 -96.192 -99.200 -91.000 TYR 348 0.840 202.424 122.069-105.004 -99.200 -91.000 TYR 356 0.840 187.277 126.983-116.294 -99.200 -91.000 HIS 358 0.900 176.449 124.098-119.307 -99.200 -91.000 TRP 363 1.040 189.746 117.410-108.674 -99.200 -91.000 TRP6 363 1.020 189.400 117.399-111.031 -99.200 -91.000 TYR 378 0.840 186.137 107.350 -97.903 -99.200 -91.000 PHE 383 1.000 170.980 118.691-102.556 -99.200 -91.000 PHE 385 1.000 175.011 121.292-108.898 -99.200 -91.000 HIS 416 0.900 186.510 114.986-105.346 -99.200 -91.000 TYR 435 0.840 190.071 129.985 -92.597 -99.200 -91.000 HIS 447 0.900 176.488 127.864 -97.923 -99.200 -91.000 HIS 449 0.900 166.195 128.898-101.556 -99.200 -91.000 PHE 456 1.000 181.049 123.269-100.798 -99.200 -91.000 PHE 465 1.000 171.077 115.020 -88.973 -99.200 -91.000 PHE 471 1.000 168.417 112.734-103.651 -99.200 -91.000