============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 108.257 19.170 19.714 -99.200 -91.000 TRP6 14 1.020 109.965 18.163 20.984 -99.200 -91.000 PHE 19 1.000 96.541 17.217 3.796 -99.200 -91.000 TRP 37 1.040 93.574 17.057 25.164 -99.200 -91.000 TRP6 37 1.020 92.024 18.829 25.104 -99.200 -91.000 HIS 43 0.900 96.868 33.303 12.514 -99.200 -91.000 TYR 47 0.840 92.274 37.112 10.062 -99.200 -91.000 TRP 49 1.040 91.985 38.072 5.129 -99.200 -91.000 TRP6 49 1.020 94.220 37.620 5.723 -99.200 -91.000 PHE 53 1.000 89.870 26.266 7.574 -99.200 -91.000 HIS 65 0.900 112.607 14.614 7.564 -99.200 -91.000 TYR 70 0.840 100.794 6.796 3.926 -99.200 -91.000 TYR 84 0.840 87.781 21.811 23.748 -99.200 -91.000 HIS 86 0.900 91.943 32.288 26.085 -99.200 -91.000 TYR 89 0.840 91.496 34.471 17.405 -99.200 -91.000 TRP 91 1.040 87.926 37.214 15.288 -99.200 -91.000 TRP6 91 1.020 86.649 38.773 14.056 -99.200 -91.000 PHE 110 1.000 102.723 8.688 23.914 -99.200 -91.000 TYR 113 0.840 110.776 8.493 13.150 -99.200 -91.000 HIS 115 0.900 108.158 10.728 23.896 -99.200 -91.000 TYR 132 0.840 118.498 33.712 28.434 -99.200 -91.000 TRP 139 1.040 106.836 19.979 6.809 -99.200 -91.000 TRP6 139 1.020 105.622 19.393 8.744 -99.200 -91.000 PHE 177 1.000 107.908 34.437 22.891 -99.200 -91.000 TYR 181 0.840 119.755 35.347 14.590 -99.200 -91.000 PHE 200 1.000 110.890 30.737 20.620 -99.200 -91.000 PHE 206 1.000 117.857 25.794 34.681 -99.200 -91.000 TRP 210 1.040 114.488 19.511 23.209 -99.200 -91.000 TRP6 210 1.020 115.331 21.383 22.042 -99.200 -91.000 TYR 211 0.840 110.198 22.475 30.245 -99.200 -91.000 TRP 218 1.040 101.076 39.045 15.332 -99.200 -91.000 TRP6 218 1.020 102.068 41.160 14.936 -99.200 -91.000 TYR 228 0.840 113.018 42.590 15.645 -99.200 -91.000 PHE 230 1.000 105.628 41.229 17.356 -99.200 -91.000 TYR 231 0.840 107.703 33.181 17.456 -99.200 -91.000 HIS 233 0.900 104.842 34.605 27.733 -99.200 -91.000 PHE 235 1.000 103.657 30.395 33.387 -99.200 -91.000 TRP 240 1.040 91.432 28.727 27.394 -99.200 -91.000 TRP6 240 1.020 92.362 27.717 25.469 -99.200 -91.000