Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.111 CA :: 58.723 CB :: 63.637 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.488 HB2 :: 3.865 HB3 :: 3.913 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.185 CA :: 45.414 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.418 HA2 :: 3.975 HA3 :: 4.032 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.682 Ave N Shift Values>> N :: 109.91(4.29) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.38 A 0.15 C Shift Assignments>> C :: 176.129 CA :: 55.413 CB :: 33.016 CG :: 31.997 CE :: 17.040 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.160 HA :: 4.484 HB2 :: 2.014 HB3 :: 2.057 HG2 :: 2.507 HG3 :: 2.591 HE1 :: 2.089 HE2 :: 2.089 HE3 :: 2.089 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.909 Ave N Shift Values>> N :: 120.1(3.88) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 C Shift Assignments>> C :: 177.863 CA :: 52.706 CB :: 19.191 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.403 HA :: 4.340 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.482 Ave N Shift Values>> N :: 123.23(3.7) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.760 CA :: 58.547 CB :: 63.790 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.312 HA :: 4.435 HB2 :: 3.869 HB3 :: 3.908 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.079 Ave N Shift Values>> N :: 116.3(3.95) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N82 1.N82 C Shift Assignments>> C :: 174.768 CA :: 58.512 CB :: 63.836 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.312 HA :: 4.492 HB2 :: 3.878 HB3 :: 3.878 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.768 Ave N Shift Values>> N :: 116.3(3.95) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 176.329 CA :: 62.917 CB :: 32.434 CG1 :: 21.607 CG2 :: 20.678 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.085 HA :: 4.092 HB :: 2.106 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 0.944 HG22 :: 0.944 HG23 :: 0.944 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.633 Ave N Shift Values>> N :: 121.02(4.96) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.29 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 177.449 CA :: 55.557 CB :: 42.288 CG :: 27.043 CD1 :: 24.910 CD2 :: 23.538 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.135 HA :: 4.294 HB2 :: 1.572 HB3 :: 1.637 HG :: 1.611 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.465 Ave N Shift Values>> N :: 121.98(4.07) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 M 0.1 K 0.07 I 0.05 HN Overlap>> 1.M15 1.M15 C Shift Assignments>> C :: 176.374 CA :: 56.733 CB :: 30.268 CG :: 36.349 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.193 HA :: 4.234 HB2 :: 1.937 HB3 :: 2.025 HG2 :: 2.251 HG3 :: 2.251 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.022 Ave N Shift Values>> N :: 120.68(3.68) 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.4 A 0.12 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> C :: 176.159 CA :: 55.727 CB :: 33.047 CG :: 31.998 CE :: 17.040 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.192 HA :: 4.429 HB2 :: 2.020 HB3 :: 2.064 HG2 :: 2.590 HG3 :: 2.507 HE1 :: 2.095 HE2 :: 2.095 HE3 :: 2.095 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.096 Ave N Shift Values>> N :: 120.1(3.88) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.219 CA :: 61.261 CB :: 38.518 CG1 :: 27.321 CG2 :: 17.600 CD1 :: 12.901 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.147 HA :: 4.134 HB :: 1.857 HG12 :: 1.468 HG13 :: 1.177 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.370 Ave N Shift Values>> N :: 121.6(4.72) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 R 0.28 M 0.05 G 0.01 C Shift Assignments>> C :: 176.672 CA :: 56.543 CB :: 33.071 CG :: 29.105 CD :: 24.709 CE :: 42.168 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.307 HA :: 4.272 HB2 :: 1.749 HB3 :: 1.820 HG2 :: 1.663 HG3 :: 1.663 HD2 :: 1.427 HD3 :: 1.379 HE2 :: 2.986 HE3 :: 2.986 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.678 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.09 K 0.07 I 0.06 C Shift Assignments>> C :: 176.611 CA :: 57.082 CB :: 30.270 CG :: 36.384 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.493 HA :: 4.210 HB2 :: 1.936 HB3 :: 2.027 HG2 :: 2.249 HG3 :: 2.301 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.625 Ave N Shift Values>> N :: 120.68(3.68) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.1 K 0.07 I 0.05 C Shift Assignments>> C :: 176.349 CA :: 56.820 CB :: 30.280 CG :: 36.384 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.482 HA :: 4.323 HB2 :: 1.955 HB3 :: 2.052 HG2 :: 2.252 HG3 :: 2.294 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.189 Ave N Shift Values>> N :: 120.68(3.68) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.288 CA :: 61.796 CB :: 32.554 CG1 :: 21.836 CG2 :: 19.799 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.000 HA :: 4.371 HB :: 2.249 HG11 :: 0.907 HG12 :: 0.907 HG13 :: 0.907 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.732 Ave N Shift Values>> N :: 121.02(4.96) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.583 CA :: 60.695 CB :: 71.051 CG2 :: 21.594 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.765 HA :: 4.492 HB :: 3.763 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.842 Ave N Shift Values>> N :: 115.7(5.05) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.24 K 0.22 E 0.11 H 0.04 R 0.04 V 0.02 Y 0.01 C Shift Assignments>> C :: 176.052 CA :: 56.335 CB :: 34.066 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.000 HA :: 4.715 HB2 :: 3.154 HB3 :: 3.777 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 128.552 Ave N Shift Values>> N :: 119.95(4.79) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.31 C Shift Assignments>> C :: 176.486 CA :: 64.081 CB :: 32.513 CG :: 27.771 CD :: 51.864 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.545 HB2 :: 1.919 HB3 :: 2.371 HG2 :: 2.111 HG3 :: 1.882 HD2 :: 4.125 HD3 :: 4.485 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 176.299 CA :: 64.260 CB :: 38.673 CG1 :: 27.851 CG2 :: 16.790 CD1 :: 14.056 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.286 HA :: 4.079 HB :: 2.033 HG12 :: 1.701 HG13 :: 0.972 HG21 :: 0.989 HG22 :: 0.989 HG23 :: 0.989 HD11 :: 0.615 HD12 :: 0.615 HD13 :: 0.615 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.472 Ave N Shift Values>> N :: 121.6(4.72) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 V 0.14 R 0.13 K 0.13 E 0.11 M 0.1 H 0.08 I 0.03 P 0.01 HN Overlap>> 1.C65 1.C65 C Shift Assignments>> C :: 176.096 CA :: 59.287 CB :: 31.835 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.311 HA :: 4.718 HB2 :: 3.211 HB3 :: 3.211 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.346 Ave N Shift Values>> N :: 119.95(4.79) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 L 0.25 A 0.02 C Shift Assignments>> C :: 175.942 CA :: 56.820 CB :: 38.261 CG :: 27.425 CD1 :: 25.311 CD2 :: 22.761 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.947 HA :: 4.178 HB2 :: 1.651 HB3 :: 2.152 HG :: 1.399 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.202 Ave N Shift Values>> N :: 121.98(4.07) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.31 E 0.23 K 0.01 C Shift Assignments>> C :: 175.368 CA :: 54.317 CB :: 32.165 CG :: 36.056 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.365 HA :: 4.650 HB2 :: 2.262 HB3 :: 2.155 HG2 :: 2.218 HG3 :: 2.370 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.459 Ave N Shift Values>> N :: 120.68(3.68) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.31 R 0.07 G 0.01 C Shift Assignments>> C :: 177.050 CA :: 56.079 CB :: 42.058 CG :: 26.914 CD1 :: 25.149 CD2 :: 23.860 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.065 HA :: 4.214 HB2 :: 1.491 HB3 :: 1.601 HG :: 1.735 HD11 :: 0.934 HD12 :: 0.934 HD13 :: 0.934 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.378 Ave N Shift Values>> N :: 121.98(4.07) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.27 R 0.17 G 0.17 C Shift Assignments>> C :: 177.325 CA :: 56.234 CB :: 44.080 CG :: 27.689 CD1 :: 26.213 CD2 :: 23.966 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.721 HA :: 4.341 HB2 :: 0.973 HB3 :: 1.663 HG :: 1.377 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.560 Ave N Shift Values>> N :: 121.98(4.07) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.14 M 0.03 C Shift Assignments>> C :: 176.015 CA :: 55.367 CB :: 33.557 CG :: 23.866 CD :: 28.599 CE :: 41.962 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.804 HA :: 4.517 HB2 :: 1.968 HB3 :: 1.864 HG2 :: 1.476 HG3 :: 1.591 HD2 :: 1.725 HD3 :: 1.824 HE2 :: 3.093 HE3 :: 3.212 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.394 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.35 I 0.11 K 0.08 M 0.01 C Shift Assignments>> C :: 172.166 CA :: 56.524 CB :: 28.622 CG :: 36.922 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.321 HA :: 3.988 HB2 :: 2.120 HB3 :: 2.346 HG2 :: 2.288 HG3 :: 2.288 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.105 Ave N Shift Values>> N :: 120.68(3.68) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 178.058 CA :: 62.228 CB :: 32.891 CG :: 27.555 CD :: 50.625 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.687 HB2 :: 1.808 HB3 :: 1.994 HG2 :: 1.926 HG3 :: 2.203 HD2 :: 3.766 HD3 :: 3.229 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.22 A 0.01 C Shift Assignments>> C :: 174.358 CA :: 58.504 CB :: 36.053 CG1 :: 21.386 CG2 :: 20.440 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.061 HA :: 5.004 HB :: 1.815 HG11 :: 0.784 HG12 :: 0.784 HG13 :: 0.784 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.965 Ave N Shift Values>> N :: 121.02(4.96) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 173.983 CA :: 56.711 CB :: 66.519 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.871 HA :: 5.279 HB2 :: 3.552 HB3 :: 3.723 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.146 Ave N Shift Values>> N :: 116.3(3.95) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.09 C 0.05 L 0.03 C Shift Assignments>> C :: 179.537 CA :: 50.580 CB :: 20.713 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.144 HA :: 4.866 HB1 :: 1.437 HB2 :: 1.437 HB3 :: 1.437 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.285 Ave N Shift Values>> N :: 123.23(3.7) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 C 0.16 L 0.1 D 0.09 K 0.08 I 0.05 N 0.01 R 0.01 C Shift Assignments>> C :: 175.790 CA :: 57.499 CB :: 40.384 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.031 HA :: 4.366 HB2 :: 2.873 HB3 :: 2.780 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.062 Ave N Shift Values>> N :: 120.73(4.2) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 E 0.18 C 0.18 H 0.15 M 0.11 K 0.1 V 0.04 I 0.03 C Shift Assignments>> C :: 174.930 CA :: 57.842 CB :: 30.844 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.523 HA :: 4.427 HB2 :: 2.706 HB3 :: 3.119 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 114.736 Ave N Shift Values>> N :: 119.95(4.79) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.2 N 0.14 Y 0.12 M 0.07 F 0.06 K 0.03 D 0.02 I 0.01 C Shift Assignments>> C :: 174.498 CA :: 55.194 CB :: 36.778 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.196 HA :: 4.209 HB2 :: 2.882 HB3 :: 2.882 HD21 :: 6.759 HD22 :: 7.392 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.893 ND2 :: 112.894 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 H 0.46 C Shift Assignments>> C :: 172.944 CA :: 59.569 CB :: 31.094 CD2 :: 118.775 CE1 :: 138.163 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.658 HA :: 4.597 HB2 :: 2.763 HB3 :: 3.210 HD2 :: 7.335 HE1 :: 7.849 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.170 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.070 CA :: 57.102 CB :: 65.747 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.706 HA :: 5.103 HB2 :: 3.393 HB3 :: 3.393 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.644 Ave N Shift Values>> N :: 116.3(3.95) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.23 F 0.15 C Shift Assignments>> C :: 175.510 CA :: 53.206 CB :: 44.156 CD1 :: 132.913 CD2 :: 132.913 CE1 :: 130.368 CE2 :: 130.368 CZ :: 130.418 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.527 HA :: 5.162 HB2 :: 2.535 HB3 :: 3.313 HD1 :: 6.874 HD2 :: 6.874 HE1 :: 7.036 HE2 :: 7.036 HZ :: 7.554 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.710 Ave N Shift Values>> N :: 120.69(4.18) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.22 C 0.21 R 0.1 E 0.09 K 0.07 I 0.07 P 0.06 H 0.06 M 0.06 C Shift Assignments>> C :: 179.148 CA :: 60.358 CB :: 31.566 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.760 HA :: 4.244 HB2 :: 3.769 HB3 :: 3.408 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.446 Ave N Shift Values>> N :: 119.95(4.79) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.38 G 0.11 K 0.06 L 0.01 C Shift Assignments>> C :: 180.199 CA :: 61.015 CB :: 29.499 CG :: 27.001 CD :: 43.237 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.511 HA :: 3.932 HB2 :: 1.882 HB3 :: 2.461 HG2 :: 1.559 HG3 :: 1.442 HD2 :: 3.232 HD3 :: 3.144 HE :: 7.306 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.774 NE :: 82.880 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.32 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 180.313 CA :: 55.507 CB :: 18.571 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.527 HA :: 4.166 HB1 :: 1.531 HB2 :: 1.531 HB3 :: 1.531 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.348 Ave N Shift Values>> N :: 123.23(3.7) 1.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.33 I 0.29 V 0.24 C 0.09 R 0.01 C Shift Assignments>> C :: 178.489 CA :: 63.835 CB :: 30.023 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.974 HA :: 4.069 HB2 :: 2.948 HB3 :: 3.068 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.645 Ave N Shift Values>> N :: 119.95(4.79) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.44 C Shift Assignments>> C :: 175.942 CA :: 59.745 CB :: 38.214 CG1 :: 28.913 CG2 :: 20.211 CD1 :: 13.847 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.302 HA :: 3.987 HB :: 1.228 HG12 :: 1.479 HG13 :: 0.731 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 HD11 :: 0.615 HD12 :: 0.615 HD13 :: 0.615 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.589 Ave N Shift Values>> N :: 121.6(4.72) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.500 CA :: 68.065 CB :: 68.601 CG2 :: 20.959 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.840 HA :: 4.128 HB :: 4.314 HG21 :: 1.319 HG22 :: 1.319 HG23 :: 1.319 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.612 Ave N Shift Values>> N :: 115.7(5.05) 1.L48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.43 C 0.36 R 0.15 K 0.03 C Shift Assignments>> C :: 179.760 CA :: 57.824 CB :: 41.796 CG :: 27.141 CD1 :: 27.104 CD2 :: 24.244 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.429 HA :: 4.226 HB2 :: 1.774 HB3 :: 1.774 HG :: 1.668 HD11 :: 1.673(S) HD12 :: 1.673(S) HD13 :: 1.673(S) HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.106 Ave N Shift Values>> N :: 121.98(4.07) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 K 0.16 C 0.15 L 0.1 D 0.06 I 0.05 R 0.03 C Shift Assignments>> C :: 176.907 CA :: 58.053 CB :: 40.994 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.089 HA :: 4.226 HB2 :: 2.697 HB3 :: 2.838 HD21 :: 8.045 HD22 :: 7.282 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.750 ND2 :: 112.582 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 177.269 CA :: 61.048 CB :: 38.582 CD1 :: 133.094 CD2 :: 133.094 CE1 :: 117.685 CE2 :: 117.685 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.838 HA :: 4.146 HB2 :: 2.944 HB3 :: 3.602 HD1 :: 6.709 HD2 :: 6.709 HE1 :: 6.425 HE2 :: 6.425 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.736 Ave N Shift Values>> N :: 120.79(4.69) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.16 K 0.07 M 0.03 C Shift Assignments>> C :: 178.394 CA :: 58.686 CB :: 29.637 CG :: 36.480 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.843 HA :: 3.668 HB2 :: 2.031 HB3 :: 2.074 HG2 :: 2.518 HG3 :: 2.273 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.463 Ave N Shift Values>> N :: 120.68(3.68) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.848 CA :: 59.189 CB :: 64.141 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.552 HA :: 4.455 HB2 :: 3.909 HB3 :: 3.909 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.141 Ave N Shift Values>> N :: 116.3(3.95) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.28 C 0.12 L 0.11 F 0.06 Y 0.05 K 0.03 C Shift Assignments>> C :: 173.264 CA :: 52.836 CB :: 40.330 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.546 HA :: 4.863 HB2 :: 2.589 HB3 :: 2.749 HD21 :: 6.984 HD22 :: 7.689 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.836 ND2 :: 115.343 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.12 G 0.07 L 0.01 C Shift Assignments>> C :: 176.082 CA :: 56.079 CB :: 30.755 CG :: 26.199 CD :: 43.395 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.914 HA :: 4.241 HB2 :: 1.444 HB3 :: 1.494 HG2 :: 1.338 HG3 :: 1.338 HD2 :: 2.861 HD3 :: 2.775 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.718 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.31 C 0.12 L 0.09 F 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 176.818 CA :: 52.272 CB :: 40.255 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.532 HA :: 4.934 HB2 :: 2.854 HB3 :: 2.854 HD21 :: 7.271 HD22 :: 7.071 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.835 ND2 :: 114.068 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.958 CA :: 63.905 CB :: 69.196 CG2 :: 21.812 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> HA :: 4.159 HB :: 4.245 HG21 :: 1.246 HG22 :: 1.246 HG23 :: 1.246 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.15 L 0.15 C 0.12 F 0.09 Y 0.08 K 0.07 R 0.01 C Shift Assignments>> C :: 176.820 CA :: 54.211 CB :: 40.586 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.188 HA :: 4.557 HB2 :: 2.719 HB3 :: 2.840 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.228 Ave N Shift Values>> N :: 120.73(4.2) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 175.055 CA :: 45.631 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.228 HA2 :: 3.802 HA3 :: 4.257 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.373 Ave N Shift Values>> N :: 109.91(4.29) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.33 R 0.28 M 0.01 G 0.01 HN Overlap>> 1.I83 1.I83 C Shift Assignments>> C :: 176.995 CA :: 56.361 CB :: 33.714 CG :: 25.876 CD :: 29.575 CE :: 42.269 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.012 HA :: 4.787 HB2 :: 1.617 HB3 :: 1.823 HG2 :: 1.027 HG3 :: 1.387 HD2 :: 1.541 HD3 :: 1.446 HE2 :: 2.891 HE3 :: 2.891 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.324 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.27 G 0.15 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> C :: 172.481 CA :: 43.746 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.059 HA2 :: 3.140 HA3 :: 4.544 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.353 Ave N Shift Values>> N :: 109.91(4.29) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.19 L 0.15 C 0.11 K 0.06 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 174.847 CA :: 52.763 CB :: 41.013 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.223 HA :: 4.970 HB2 :: 2.154 HB3 :: 2.443 HD21 :: 6.972 HD22 :: 7.252 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.544 ND2 :: 111.783 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 C 0.18 E 0.17 H 0.15 M 0.11 K 0.11 V 0.04 I 0.02 C Shift Assignments>> C :: 176.140 CA :: 57.854 CB :: 30.954 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.499 HA :: 4.462 HB2 :: 3.275 HB3 :: 3.342 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 128.259 Ave N Shift Values>> N :: 119.95(4.79) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.756 CA :: 64.575 CB :: 31.917 CG :: 27.371 CD :: 50.904 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.420 HB2 :: 2.289 HB3 :: 1.907 HG2 :: 1.618 HG3 :: 1.618 HD2 :: 3.628 HD3 :: 3.864 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.034 CA :: 65.068 CB :: 32.942 CG1 :: 21.813 CG2 :: 19.721 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.449 HA :: 3.859 HB :: 1.373 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.360 HG22 :: 0.360 HG23 :: 0.360 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.891 Ave N Shift Values>> N :: 121.02(4.96) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.2 M 0.16 V 0.12 R 0.09 E 0.06 H 0.06 I 0.01 HN Overlap>> 1.C25 1.C25 C Shift Assignments>> C :: 175.793 CA :: 58.617 CB :: 32.976 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.372 HA :: 4.993 HB2 :: 2.801 HB3 :: 3.468 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.256 Ave N Shift Values>> N :: 119.95(4.79) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 L 0.28 K 0.17 R 0.17 G 0.03 C Shift Assignments>> C :: 174.882 CA :: 58.265 CB :: 26.974 CG :: 27.343 CD :: 42.662 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.282 HA :: 4.062 HB2 :: 2.085 HB3 :: 2.234 HG2 :: 1.534 HG3 :: 1.561 HD2 :: 3.137 HD3 :: 3.179 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.329 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> C :: 176.010 CA :: 62.284 CB :: 32.743 CG1 :: 23.961 CG2 :: 20.726 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.150 HA :: 4.393 HB :: 2.283 HG11 :: 1.206 HG12 :: 1.206 HG13 :: 1.206 HG21 :: 1.197 HG22 :: 1.197 HG23 :: 1.197 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.809 Ave N Shift Values>> N :: 121.02(4.96) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.42 C Shift Assignments>> CA :: 62.671 CB :: 33.071 CG :: 27.787 CD :: 52.034 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.562 HB2 :: 1.764 HB3 :: 2.186 HG2 :: 1.997 HG3 :: 2.106 HD2 :: 3.757 HD3 :: 4.131 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.43 C Shift Assignments>> CA :: 54.042 CB :: 39.666 CD1 :: 134.202 CD2 :: 134.202 CE1 :: 115.888 CE2 :: 115.888 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.633 HA :: 5.380 HB2 :: 3.448 HB3 :: 2.975 HD1 :: 6.811 HD2 :: 6.811 HE1 :: 6.415 HE2 :: 6.415 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.435 Ave N Shift Values>> N :: 120.79(4.69) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.47 C Shift Assignments>> C :: 176.475 CA :: 61.021 CB :: 30.844 CG :: 28.207 CD :: 51.006 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.801 HB2 :: 1.945 HB3 :: 2.281 HG2 :: 1.966 HG3 :: 2.231 HD2 :: 3.967 HD3 :: 3.866 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> C :: 177.645 CA :: 62.034 CB :: 39.144 CD1 :: 132.023 CD2 :: 132.023 CE1 :: 130.701 CE2 :: 130.701 CZ :: 129.394 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.912 HA :: 3.953 HB2 :: 2.440 HB3 :: 2.608 HD1 :: 6.787 HD2 :: 6.787 HE1 :: 7.122 HE2 :: 7.122 HZ :: 7.280 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 131.063 Ave N Shift Values>> N :: 120.69(4.18) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.971 CA :: 45.638 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.950 HA2 :: 3.825 HA3 :: 3.919 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.739 Ave N Shift Values>> N :: 109.91(4.29) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.22 C 0.14 Y 0.05 F 0.05 L 0.04 C Shift Assignments>> C :: 175.690 CA :: 52.237 CB :: 39.262 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.704 HA :: 4.866 HB2 :: 2.741 HB3 :: 3.167 HD21 :: 6.914 HD22 :: 8.291 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.358 ND2 :: 112.305 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.29 R 0.12 A 0.03 G 0.02 C Shift Assignments>> C :: 177.219 CA :: 55.826 CB :: 42.306 CG :: 26.520 CD1 :: 26.702 CD2 :: 22.699 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.063 HA :: 4.307 HB2 :: 1.511 HB3 :: 0.824 HG :: 1.616 HD11 :: 0.382 HD12 :: 0.382 HD13 :: 0.382 HD21 :: 0.513 HD22 :: 0.513 HD23 :: 0.513 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.797 Ave N Shift Values>> N :: 121.98(4.07) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.38 R 0.07 M 0.03 A 0.03 G 0.02 C Shift Assignments>> C :: 173.744 CA :: 53.021 CB :: 34.048 CG :: 23.700 CD :: 29.136 CE :: 42.166 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.524 HA :: 4.935 HB2 :: 1.774 HB3 :: 1.774 HG2 :: 1.450 HG3 :: 1.450 HD2 :: 1.664 HD3 :: 1.664 HE2 :: 2.987 HE3 :: 2.987 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.426 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.2 C Shift Assignments>> C :: 176.336 CA :: 62.931 CB :: 32.165 CG :: 27.558 CD :: 50.736 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.699 HB2 :: 1.844 HB3 :: 2.307 HG2 :: 2.082 HG3 :: 1.941 HD2 :: 3.840 HD3 :: 3.683 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.16 D 0.14 Y 0.05 F 0.04 L 0.02 E 0.01 HN Overlap>> 1.I83 1.I83 C Shift Assignments>> C :: 174.894 CA :: 52.377 CB :: 38.436 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.130 HA :: 4.700 HB2 :: 2.469 HB3 :: 2.660 HD21 :: 6.885 HD22 :: 7.321 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.491 ND2 :: 110.527 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.28 R 0.06 A 0.02 G 0.01 C Shift Assignments>> C :: 177.070 CA :: 55.092 CB :: 42.090 CG :: 27.071 CD1 :: 24.932 CD2 :: 23.249 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.286 HA :: 4.278 HB2 :: 1.510 HB3 :: 1.510 HG :: 1.519 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.807 HD22 :: 0.807 HD23 :: 0.807 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.264 Ave N Shift Values>> N :: 121.98(4.07) 1.H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 C 0.44 C Shift Assignments>> C :: 175.164 CA :: 56.326 CB :: 30.161 CD2 :: 119.947 CE1 :: 137.837 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.348 HA :: 4.604 HB2 :: 3.068 HB3 :: 3.134 HD2 :: 7.036 HE1 :: 8.022 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.161 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.459 CA :: 62.180 CB :: 32.639 CG1 :: 21.294 CG2 :: 20.524 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.811 HA :: 4.026 HB :: 1.975 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.024 Ave N Shift Values>> N :: 121.02(4.96) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 177.139 CA :: 52.520 CB :: 19.411 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.287 HA :: 4.266 HB1 :: 1.364 HB2 :: 1.364 HB3 :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.925 Ave N Shift Values>> N :: 123.23(3.7) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.2 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 HN Overlap>> 1.S11 1.S11 C Shift Assignments>> C :: 174.892 CA :: 53.259 CB :: 38.953 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.310 HA :: 4.683 HB2 :: 2.712 HB3 :: 2.784 HD21 :: 6.890 HD22 :: 7.597 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.874 ND2 :: 112.883 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 1.K59 1.N77 1.K59 1.N77 C Shift Assignments>> C :: 175.961 CA :: 61.199 CB :: 38.666 CG1 :: 27.197 CG2 :: 17.600 CD1 :: 12.925 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.073 HA :: 4.179 HB :: 1.849 HG12 :: 1.446 HG13 :: 1.141 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 HD11 :: 0.828 HD12 :: 0.828 HD13 :: 0.828 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.398 Ave N Shift Values>> N :: 121.6(4.72) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 HN Overlap>> 1.V67 1.V67 C Shift Assignments>> C :: 175.137 CA :: 62.248 CB :: 32.970 CG1 :: 21.273 CG2 :: 20.481 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.213 HA :: 4.152 HB :: 2.076 HG11 :: 0.928 HG12 :: 0.928 HG13 :: 0.928 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.898 Ave N Shift Values>> N :: 121.02(4.96) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 M 0.12 I 0.07 K 0.02 C Shift Assignments>> C :: 180.934 CA :: 58.089 CB :: 31.336 CG :: 36.631 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.028 HA :: 4.122 HB2 :: 2.007 HB3 :: 1.882 HG2 :: 2.177 HG3 :: 2.177 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 130.243 Ave N Shift Values>> N :: 120.68(3.68) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 84 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 80 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 85 #Suspicious: 0 C Shift Results: #Consistent: 347 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 550 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 81 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L48 HD11 = 1.673(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2448e-04 1.L48 HD12 = 1.673(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2448e-04 1.L48 HD13 = 1.673(S), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2448e-04