============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 23 1.000 33.892 9.561 33.467 -99.200 -91.000 TYR 42 0.840 40.879 31.823 18.913 -99.200 -91.000 TYR 49 0.840 25.558 30.812 20.927 -99.200 -91.000 PHE 60 1.000 11.934 43.386 15.968 -99.200 -91.000 PHE 61 1.000 12.260 45.616 20.382 -99.200 -91.000 PHE 66 1.000 9.793 50.236 19.986 -99.200 -91.000 TYR 79 0.840 15.280 55.708 40.699 -99.200 -91.000 PHE 92 1.000 22.063 39.768 44.489 -99.200 -91.000 PHE 98 1.000 23.019 54.984 44.640 -99.200 -91.000 TYR 109 0.840 6.760 53.753 35.394 -99.200 -91.000 TYR 111 0.840 16.750 57.800 29.636 -99.200 -91.000 PHE 126 1.000 16.253 49.184 22.068 -99.200 -91.000 TYR 132 0.840 23.268 42.115 38.485 -99.200 -91.000 HIS 141 0.900 13.291 31.816 38.134 -99.200 -91.000 PHE 145 1.000 17.079 38.971 35.500 -99.200 -91.000 PHE 150 1.000 8.541 45.511 23.447 -99.200 -91.000 PHE 169 1.000 12.206 40.471 20.537 -99.200 -91.000 HIS 172 0.900 14.562 39.896 13.286 -99.200 -91.000 PHE 177 1.000 4.846 34.433 19.724 -99.200 -91.000 HIS 188 0.900 9.709 27.568 23.609 -99.200 -91.000 TRP 207 1.040 7.559 55.339 38.908 -99.200 -91.000 TRP6 207 1.020 9.871 55.351 39.371 -99.200 -91.000 TRP 213 1.040 2.238 52.657 30.636 -99.200 -91.000 TRP6 213 1.020 3.139 50.507 31.016 -99.200 -91.000 PHE 218 1.000 9.877 39.279 25.075 -99.200 -91.000 HIS 228 0.900 21.750 29.140 20.595 -99.200 -91.000 PHE 230 1.000 22.465 26.858 25.432 -99.200 -91.000 TYR 242 0.840 28.091 25.138 31.168 -99.200 -91.000 TYR 243 0.840 32.554 32.006 24.119 -99.200 -91.000