============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 28 1.000 74.306-119.805 152.295 -99.200 -91.000 TYR 31 0.840 81.697-116.072 147.408 -99.200 -91.000 PHE 33 1.000 77.983-117.235 154.329 -99.200 -91.000 TRP 35 1.040 78.942-118.096 162.312 -99.200 -91.000 TRP6 35 1.020 76.997-116.788 162.604 -99.200 -91.000 HIS 42 0.900 87.814-107.596 177.016 -99.200 -91.000 TRP 46 1.040 87.619-118.104 162.842 -99.200 -91.000 TRP6 46 1.020 88.511-120.263 163.202 -99.200 -91.000 PHE 54 1.000 83.448-127.739 148.209 -99.200 -91.000 TYR 59 0.840 85.648-127.409 166.403 -99.200 -91.000 PHE 63 1.000 85.029-120.224 170.994 -99.200 -91.000 PHE 69 1.000 80.943-122.708 163.721 -99.200 -91.000 TYR 79 0.840 69.855-121.056 160.414 -99.200 -91.000 TYR 93 0.840 78.506-114.683 170.421 -99.200 -91.000 TYR 94 0.840 80.559-107.475 164.720 -99.200 -91.000 PHE 99 1.000 88.929-111.989 148.591 -99.200 -91.000 TRP 103 1.040 87.441-118.543 141.678 -99.200 -91.000 TRP6 103 1.020 86.425-120.650 141.352 -99.200 -91.000 TYR 109 0.840 86.865-121.716 149.726 -99.200 -91.000 PHE 116 1.000 91.505-113.008 152.314 -99.200 -91.000 PHE 118 1.000 80.731-108.331 150.048 -99.200 -91.000 TRP 119 1.040 83.887-108.338 157.921 -99.200 -91.000 TRP6 119 1.020 84.712-109.142 159.983 -99.200 -91.000 PHE 138 1.000 59.878 -91.538 180.587 -99.200 -91.000 TYR 161 0.840 68.015 -99.748 177.248 -99.200 -91.000 PHE 162 1.000 69.923-106.947 181.659 -99.200 -91.000 TRP 170 1.040 66.776 -88.631 166.365 -99.200 -91.000 TRP6 170 1.020 65.280 -87.459 167.773 -99.200 -91.000 HIS 180 0.900 76.437 -85.401 168.233 -99.200 -91.000 PHE 182 1.000 74.772 -87.796 174.533 -99.200 -91.000 TYR 192 0.840 73.040-102.053 180.346 -99.200 -91.000 TYR 210 0.840 62.899 -81.587 163.817 -99.200 -91.000 HIS 216 0.900 65.255-103.755 174.576 -99.200 -91.000