============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 13 1.000 27.647 38.589 45.780 -99.200 -91.000 TYR 61 0.840 34.342 38.974 41.820 -99.200 -91.000 PHE 70 1.000 28.496 35.166 54.620 -99.200 -91.000 PHE 115 1.000 28.989 28.587 68.457 -99.200 -91.000 PHE 158 1.000 39.996 23.727 74.045 -99.200 -91.000 TYR 309 0.840 16.332 26.139 91.293 -99.200 -91.000 TYR 313 0.840 16.540 16.646 92.526 -99.200 -91.000 PHE 314 1.000 15.634 10.529 93.865 -99.200 -91.000 PHE 333 1.000 12.354 22.071 91.504 -99.200 -91.000 PHE 334 1.000 9.420 19.004 100.023 -99.200 -91.000 TYR 335 0.840 10.165 11.845 93.363 -99.200 -91.000 TRP 353 1.040 7.999 25.884 88.618 -99.200 -91.000 TRP6 353 1.020 9.102 24.407 87.150 -99.200 -91.000 HIS 358 0.900 9.701 7.906 96.850 -99.200 -91.000 TRP 383 1.040 1.248 7.076 106.079 -99.200 -91.000 TRP6 383 1.020 0.334 8.468 104.354 -99.200 -91.000 TYR 390 0.840 -5.531 -11.557 113.355 -99.200 -91.000 TYR 419 0.840 -13.220 5.551 103.468 -99.200 -91.000 TRP 426 1.040 -8.046 -4.565 105.693 -99.200 -91.000 TRP6 426 1.020 -7.299 -2.497 106.658 -99.200 -91.000 TYR 431 0.840 -0.047 -12.183 112.476 -99.200 -91.000 TYR 437 0.840 -5.118 3.706 103.599 -99.200 -91.000 PHE 439 1.000 -2.819 8.975 99.404 -99.200 -91.000 PHE 452 1.000 -2.054 13.774 98.878 -99.200 -91.000