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.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.2 C 0.17 K 0.16 R 0.1 H 0.09 Q 0.09 W 0.08 E 0.05 V 0.01 C Shift Assignments>> C :: 175.587 CA :: 55.145 CB :: 32.491 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>> HA :: 4.357 HB3 :: 1.913 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) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> C :: 177.441 CA :: 52.280 CB :: 18.880 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.270 HA :: 4.212 HB1 :: 1.286 HB2 :: 1.286 HB3 :: 1.286 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.500 Ave N Shift Values>> N :: 123.23(3.7) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> C :: 177.824 CA :: 52.347 CB :: 18.869 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.251 HA :: 4.261 HB1 :: 1.306 HB2 :: 1.306 HB3 :: 1.306 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.322 Ave N Shift Values>> N :: 123.23(3.7) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.222 CA :: 58.438 CB :: 63.859 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.158 HA :: 4.358 HB3 :: 3.800 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 :: 115.338 Ave N Shift Values>> N :: 116.3(3.95) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.083 CA :: 45.113 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.265 HA2 :: 3.900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.360 Ave N Shift Values>> N :: 109.91(4.29) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.11 M 0.08 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.354 CA :: 56.261 CB :: 29.830 CG :: 36.100 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 :: 8.100 HA :: 4.209 HB2 :: 1.810 HB3 :: 1.944 HG3 :: 2.119 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 :: 121.056 Ave N Shift Values>> N :: 120.68(3.68) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.25 C 0.24 E 0.08 M 0.07 R 0.05 C Shift Assignments>> C :: 172.457 CA :: 55.269 CB :: 29.236 CG :: 33.606 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.287 HA :: 4.247 HB2 :: 1.876 HB3 :: 1.983 HG3 :: 2.258 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.164 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> CA :: 50.341 CB :: 18.140 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.368 HA :: 4.509 HB1 :: 1.284 HB2 :: 1.284 HB3 :: 1.284 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.028 Ave N Shift Values>> N :: 123.23(3.7) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.381 CA :: 63.298 CB :: 31.776 CG :: 27.233 CD :: 50.587 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 :: 4.437 HB2 :: 1.940 HB3 :: 2.239 HG2 :: 1.980 HD2 :: 3.590 HD3 :: 3.720 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.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 K 0.14 W 0.13 E 0.13 H 0.12 C 0.11 R 0.1 I 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 173.266 CA :: 57.398 CB :: 29.165 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.056 HA :: 4.717 HB2 :: 2.950 HB3 :: 3.017 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 :: 118.295 Ave N Shift Values>> N :: 119.95(4.79) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.648 CA :: 57.630 CB :: 64.820 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.815 HA :: 5.227 HB2 :: 3.640 HB3 :: 3.865 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 :: 122.365 Ave N Shift Values>> N :: 116.3(3.95) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.48 C Shift Assignments>> C :: 173.875 CA :: 60.146 CB :: 34.499 CG1 :: 22.299 CG2 :: 21.231 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 :: 9.352 HA :: 4.696 HB :: 1.729 HG11 :: 0.784 HG12 :: 0.784 HG13 :: 0.784 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 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 :: 126.378 Ave N Shift Values>> N :: 121.02(4.96) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 173.345 CA :: 56.186 CB :: 40.858 CD1 :: 132.723 CE1 :: 119.259 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 :: 8.745 HB2 :: 2.570 HB3 :: 2.890 HD1 :: 6.674 HE1 :: 6.856 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 :: 129.472 Ave N Shift Values>> N :: 120.79(4.69) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.36 C 0.22 C Shift Assignments>> C :: 174.058 CA :: 54.361 CB :: 40.461 CD1 :: 131.830 CE1 :: 130.906 CZ :: 129.110 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 :: 7.370 HA :: 5.720 HB2 :: 2.340 HD1 :: 6.740 HE1 :: 6.560 HZ :: 6.236 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 :: 128.263 Ave N Shift Values>> N :: 120.69(4.18) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 Q 0.14 E 0.13 W 0.13 R 0.12 K 0.11 C 0.11 M 0.05 I 0.01 C Shift Assignments>> CA :: 56.570 CB :: 29.690 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.147 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 :: 126.188 Ave N Shift Values>> N :: 119.95(4.79) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.374 CA :: 45.510 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.819 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.700 CB :: 63.810 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.533 HA :: 4.505 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 :: 117.300 Ave N Shift Values>> N :: 116.3(3.95) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.69 C 0.3 C Shift Assignments>> CA :: 61.317 CB :: 38.302 CG1 :: 27.244 CG2 :: 17.999 CD1 :: 13.640 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>> HA :: 4.309 HB :: 1.918 HG12 :: 1.092 HG13 :: 1.347 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 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) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.44 C 0.35 K 0.11 G 0.04 L 0.03 C Shift Assignments>> C :: 177.118 CA :: 56.960 CB :: 29.568 CG :: 27.580 CD :: 42.999 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>> HA :: 4.172 HB2 :: 1.760 HD2 :: 3.123 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) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 174.814 CA :: 45.289 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.685 HA2 :: 3.801 HA3 :: 3.923 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.145 Ave N Shift Values>> N :: 109.91(4.29) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 174.762 CA :: 45.025 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.058 HA2 :: 3.998 HA3 :: 4.237 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.327 Ave N Shift Values>> N :: 109.91(4.29) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.33 K 0.17 L 0.04 G 0.03 C Shift Assignments>> C :: 178.178 CA :: 57.471 CB :: 29.653 CG :: 26.845 CD :: 42.913 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 :: 8.376 HA :: 4.086 HB2 :: 1.829 HB3 :: 1.765 HG2 :: 1.595 HG3 :: 1.558 HD2 :: 3.100 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 :: 120.861 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.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 I 0.21 K 0.08 Q 0.02 C Shift Assignments>> C :: 178.005 CA :: 58.920 CB :: 28.592 CG :: 36.405 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 :: 8.831 HA :: 4.015 HB2 :: 1.908 HG2 :: 2.217 HG3 :: 2.400 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 :: 121.243 Ave N Shift Values>> N :: 120.68(3.68) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 C 0.15 N 0.14 Y 0.14 F 0.14 L 0.11 K 0.03 I 0.01 C Shift Assignments>> C :: 176.455 CA :: 55.122 CB :: 39.888 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 :: 7.897 HA :: 4.516 HB2 :: 2.394 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 :: 119.541 Ave N Shift Values>> N :: 120.73(4.2) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.21 Q 0.2 R 0.1 E 0.06 I 0.04 P 0.02 M 0.01 C Shift Assignments>> C :: 177.016 CA :: 59.501 CB :: 27.762 CG :: 33.639 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.696 HA :: 3.704 HB2 :: 2.036 HG2 :: 2.300 HG3 :: 2.345 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.471 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.567 CA :: 54.627 CB :: 17.355 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.227 HA :: 4.072 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.362 Ave N Shift Values>> N :: 123.23(3.7) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.45 R 0.04 C Shift Assignments>> C :: 178.752 CA :: 57.578 CB :: 40.734 CG :: 27.678 CD1 :: 23.387 CD2 :: 25.256 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 :: 7.533 HA :: 4.050 HB2 :: 1.672 HB3 :: 1.813 HG :: 1.577 HD11 :: 1.017 HD12 :: 1.017 HD13 :: 1.017 HD21 :: 0.978 HD22 :: 0.978 HD23 :: 0.978 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 :: 122.255 Ave N Shift Values>> N :: 121.98(4.07) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Y 0.42 H 0.01 W 0.01 C Shift Assignments>> C :: 177.736 CA :: 59.817 CB :: 36.140 CD1 :: 133.450 CE1 :: 118.226 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 :: 8.473 HA :: 4.049 HB2 :: 2.940 HB3 :: 3.150 HD1 :: 6.806 HE1 :: 6.566 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 :: 120.403 Ave N Shift Values>> N :: 120.79(4.69) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.03 C 0.02 HN Overlap>> 1.L72 1.L72 C Shift Assignments>> C :: 180.879 CA :: 54.914 CB :: 17.375 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.008 HA :: 4.005 HB1 :: 1.434 HB2 :: 1.434 HB3 :: 1.434 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.771 Ave N Shift Values>> N :: 123.23(3.7) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.34 G 0.25 K 0.01 C Shift Assignments>> C :: 179.919 CA :: 59.014 CB :: 30.531 CG :: 26.802 CD :: 44.405 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 :: 7.596 HA :: 3.916 HB2 :: 1.910 HB3 :: 1.960 HG2 :: 1.540 HG3 :: 1.840 HD2 :: 3.000 HD3 :: 3.190 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 :: 120.365 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.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.051 CA :: 65.757 CB :: 36.928 CG1 :: 29.981 CG2 :: 16.146 CD1 :: 13.327 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 :: 8.066 HA :: 3.120 HB :: 1.493 HG12 :: 0.425 HG13 :: 1.717 HG21 :: -0.000 HG22 :: -0.000 HG23 :: -0.000 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 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 :: 121.608 Ave N Shift Values>> N :: 121.6(4.72) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.159 CA :: 67.220 CB :: 31.039 CG1 :: 21.143 CG2 :: 23.710 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 :: 8.148 HA :: 2.954 HB :: 1.787 HG11 :: 0.650 HG12 :: 0.650 HG13 :: 0.650 HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 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 :: 119.318 Ave N Shift Values>> N :: 121.02(4.96) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.779 CA :: 62.000 CB :: 62.789 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.826 HA :: 3.868 HB2 :: 3.833 HB3 :: 3.746 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 :: 111.936 Ave N Shift Values>> N :: 116.3(3.95) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.14 W 0.11 C 0.11 E 0.11 R 0.09 L 0.04 M 0.03 I 0.02 C Shift Assignments>> C :: 178.047 CA :: 56.108 CB :: 28.837 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 :: 7.405 HA :: 4.070 HD2 :: 3.110 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 :: 120.909 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.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.41 R 0.02 C Shift Assignments>> C :: 178.446 CA :: 57.640 CB :: 41.584 CG :: 25.427 CD1 :: 25.870 CD2 :: 24.810 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 :: 8.301 HA :: 3.620 HG :: 1.790 HD11 :: 0.330 HD12 :: 0.330 HD13 :: 0.330 HD21 :: 0.640 HD22 :: 0.640 HD23 :: 0.640 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 :: 118.567 Ave N Shift Values>> N :: 121.98(4.07) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.09 K 0.08 C Shift Assignments>> C :: 177.895 CA :: 57.785 CB :: 29.775 CG :: 28.513 CD :: 43.550 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 :: 7.379 HA :: 4.340 HB2 :: 1.724 HB3 :: 1.854 HG2 :: 1.561 HG3 :: 1.866 HD2 :: 3.034 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 :: 115.352 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.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.31 K 0.13 L 0.1 G 0.07 C Shift Assignments>> C :: 176.988 CA :: 57.605 CB :: 28.925 CG :: 26.726 CD :: 43.368 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 :: 7.240 HA :: 3.743 HB2 :: 1.141 HB3 :: 1.267 HG2 :: 1.240 HG3 :: 1.100 HD2 :: 2.728 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 :: 117.410 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.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 175.001 CA :: 57.730 CB :: 39.343 CD1 :: 133.852 CE1 :: 117.306 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 :: 7.296 HA :: 4.319 HB2 :: 1.700 HB3 :: 2.700 HD1 :: 6.578 HE1 :: 6.468 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 :: 116.937 Ave N Shift Values>> N :: 120.79(4.69) 1.G41 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 :: 171.302 CA :: 45.590 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.325 HA2 :: 3.953 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.596 Ave N Shift Values>> N :: 109.91(4.29) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.36 R 0.14 M 0.03 HN Overlap>> 1.Q87 1.Q87 C Shift Assignments>> C :: 175.672 CA :: 55.241 CB :: 32.889 CG :: 24.800 CD :: 28.990 CE :: 41.700 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 :: 8.186 HA :: 4.205 HB2 :: 1.625 HG2 :: 1.268 HG3 :: 1.070 HD2 :: 1.531 HE2 :: 2.787 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 :: 120.341 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.997 CA :: 61.331 CB :: 30.573 CG1 :: 21.577 CG2 :: 22.590 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 :: 8.610 HA :: 4.416 HB :: 1.816 HG11 :: 0.616 HG12 :: 0.616 HG13 :: 0.616 HG21 :: 0.640 HG22 :: 0.640 HG23 :: 0.640 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 :: 127.312 Ave N Shift Values>> N :: 121.02(4.96) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.3 A 0.14 R 0.02 HN Overlap>> 1.E84 1.E84 C Shift Assignments>> CA :: 54.522 CB :: 40.980 CG :: 26.717 CD1 :: 25.970 CD2 :: 21.950 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 :: 8.894 HA :: 4.496 HG :: 1.330 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.480 HD22 :: 0.480 HD23 :: 0.480 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 :: 130.261 Ave N Shift Values>> N :: 121.98(4.07) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 61.033 CB :: 69.768 CG2 :: 21.355 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 :: 4.263 HB :: 4.075 HG21 :: 1.084 HG22 :: 1.084 HG23 :: 1.084 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.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.24 C 0.24 K 0.2 E 0.15 M 0.11 R 0.02 C Shift Assignments>> CA :: 56.411 CB :: 29.827 CG :: 34.106 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>> HB3 :: 2.080 HG3 :: 2.416 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) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.36 W 0.35 C 0.28 C Shift Assignments>> C :: 174.812 CA :: 56.107 CB :: 29.080 CE1 :: 138.420 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>> HA :: 4.549 HB2 :: 2.970 HB3 :: 3.095 HE1 :: 7.926 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) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.29 C Shift Assignments>> C :: 175.697 CA :: 61.841 CB :: 32.600 CG1 :: 21.330 CG2 :: 20.320 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 :: 7.826 HA :: 4.024 HB :: 1.989 HG11 :: 0.821 HG12 :: 0.821 HG13 :: 0.821 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 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 :: 121.117 Ave N Shift Values>> N :: 121.02(4.96) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 HN Overlap>> 1.A158 1.A158 C Shift Assignments>> C :: 177.173 CA :: 52.207 CB :: 19.064 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.237 HA :: 4.281 HB1 :: 1.280 HB2 :: 1.280 HB3 :: 1.280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.817 Ave N Shift Values>> N :: 123.23(3.7) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.17 C 0.11 N 0.11 K 0.1 F 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.124 CA :: 54.447 CB :: 40.877 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 :: 8.029 HA :: 4.436 HB2 :: 2.521 HB3 :: 2.605 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 :: 119.687 Ave N Shift Values>> N :: 120.73(4.2) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.24 C 0.02 C Shift Assignments>> C :: 177.835 CA :: 52.900 CB :: 18.942 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.094 HA :: 4.134 HB1 :: 1.301 HB2 :: 1.301 HB3 :: 1.301 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.400 Ave N Shift Values>> N :: 123.23(3.7) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.12 Q 0.06 I 0.05 M 0.05 HN Overlap>> 1.Q113 1.Q113 C Shift Assignments>> C :: 176.456 CA :: 56.480 CB :: 29.470 CG :: 36.171 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 :: 8.243 HA :: 4.152 HB2 :: 1.855 HB3 :: 1.983 HG3 :: 2.154 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 :: 118.917 Ave N Shift Values>> N :: 120.68(3.68) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.25 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 177.058 CA :: 54.625 CB :: 42.125 CG :: 26.845 CD1 :: 24.906 CD2 :: 23.386 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 :: 7.839 HA :: 4.229 HB2 :: 1.527 HB3 :: 1.488 HG :: 1.502 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 HD21 :: 0.779 HD22 :: 0.779 HD23 :: 0.779 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 :: 122.169 Ave N Shift Values>> N :: 121.98(4.07) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 K 0.12 Q 0.06 M 0.05 I 0.02 C Shift Assignments>> CA :: 54.286 CB :: 29.268 CG :: 36.181 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 :: 8.104 HA :: 4.470 HB2 :: 1.922 HB3 :: 1.802 HG2 :: 2.166 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 :: 123.040 Ave N Shift Values>> N :: 120.68(3.68) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.18 C Shift Assignments>> C :: 177.019 CA :: 63.075 CB :: 31.329 CG :: 27.316 CD :: 50.524 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 :: 4.310 HB2 :: 1.803 HB3 :: 2.150 HG2 :: 1.872 HG3 :: 1.932 HD2 :: 3.569 HD3 :: 3.656 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.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.27 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 178.055 CA :: 55.018 CB :: 41.990 CG :: 26.862 CD1 :: 24.906 CD2 :: 23.386 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 :: 8.263 HA :: 4.237 HB2 :: 1.488 HB3 :: 1.558 HG :: 1.566 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 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 :: 122.728 Ave N Shift Values>> N :: 121.98(4.07) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.379 CA :: 45.092 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.231 HA2 :: 3.911 HA3 :: 3.808 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.035 Ave N Shift Values>> N :: 109.91(4.29) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.11 Q 0.06 I 0.06 M 0.05 C Shift Assignments>> C :: 176.868 CA :: 56.734 CB :: 29.584 CG :: 36.168 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 :: 8.241 HA :: 4.136 HB2 :: 1.961 HB3 :: 1.827 HG3 :: 2.147 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 :: 121.173 Ave N Shift Values>> N :: 120.68(3.68) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.12 I 0.06 Q 0.06 M 0.04 C Shift Assignments>> C :: 176.502 CA :: 56.842 CB :: 29.267 CG :: 36.168 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 :: 8.419 HA :: 4.074 HB2 :: 1.925 HB3 :: 1.835 HG3 :: 2.148 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 :: 121.777 Ave N Shift Values>> N :: 120.68(3.68) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.02 C Shift Assignments>> CA :: 52.432 CB :: 18.743 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.077 HA :: 4.134 HB1 :: 1.245 HB2 :: 1.245 HB3 :: 1.245 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.120 Ave N Shift Values>> N :: 123.23(3.7) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.02 C Shift Assignments>> C :: 178.147 CA :: 52.586 CB :: 18.692 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.041 HA :: 4.131 HB1 :: 1.243 HB2 :: 1.243 HB3 :: 1.243 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.857 Ave N Shift Values>> N :: 123.23(3.7) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.914 CA :: 45.320 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.069 HA2 :: 3.810 HA3 :: 3.888 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.924 Ave N Shift Values>> N :: 109.91(4.29) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.743 CA :: 45.202 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.118 HA2 :: 4.008 HA3 :: 3.893 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.441 Ave N Shift Values>> N :: 109.91(4.29) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 C 0.17 D 0.1 L 0.09 K 0.06 I 0.05 N 0.02 C Shift Assignments>> C :: 177.571 CA :: 57.210 CB :: 40.142 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 :: 8.305 HA :: 4.240 HB2 :: 2.580 HB3 :: 2.270 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 :: 121.568 Ave N Shift Values>> N :: 120.73(4.2) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.22 E 0.09 R 0.08 I 0.03 M 0.01 C Shift Assignments>> C :: 177.490 CA :: 58.643 CB :: 27.803 CG :: 33.884 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.337 HA :: 4.138 HB2 :: 1.958 HB3 :: 2.005 HG2 :: 2.260 HG3 :: 2.340 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.700 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.29 C 0.27 C Shift Assignments>> C :: 176.872 CA :: 60.158 CB :: 38.490 CD1 :: 132.310 CE1 :: 131.789 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 :: 7.658 HA :: 4.170 HB2 :: 3.010 HD1 :: 7.058 HE1 :: 7.152 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 :: 121.036 Ave N Shift Values>> N :: 120.69(4.18) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> CA :: 63.377 CB :: 37.057 CG1 :: 28.264 CG2 :: 17.034 CD1 :: 12.335 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 :: 7.646 HA :: 3.426 HB :: 1.777 HG12 :: 1.121 HG13 :: 1.529 HG21 :: 0.731 HG22 :: 0.731 HG23 :: 0.731 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 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 :: 121.372 Ave N Shift Values>> N :: 121.6(4.72) 1.H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.63 H 0.34 Y 0.01 C Shift Assignments>> CA :: 59.915 CD2 :: 120.287 CE1 :: 138.180 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 :: 7.945 HA :: 4.005 HD2 :: 6.960 HE1 :: 7.610 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 :: 120.036 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.33 C 0.32 I 0.12 K 0.11 Q 0.06 M 0.03 C Shift Assignments>> CA :: 58.490 CB :: 29.290 CG :: 35.990 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>> HA :: 3.677 HB2 :: 1.810 HB3 :: 1.940 HG2 :: 2.110 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) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.22 E 0.17 R 0.04 I 0.02 M 0.02 HN Overlap>> 1.Q87 1.Q87 C Shift Assignments>> C :: 179.280 CA :: 57.561 CB :: 28.530 CG :: 34.458 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.017 HA :: 3.426 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.410 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.1 M 0.1 Q 0.09 K 0.08 R 0.08 L 0.08 C 0.08 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.04 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 177.402 CA :: 56.290 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>> HA :: 4.440 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.46 A 0.02 HN Overlap>> 1.A31 1.A31 C Shift Assignments>> C :: 178.316 CA :: 56.101 CB :: 39.872 CG :: 27.269 CD1 :: 23.609 CD2 :: 22.791 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 :: 7.952 HA :: 3.775 HB2 :: 1.374 HB3 :: 1.327 HG :: 1.425 HD11 :: 0.545 HD12 :: 0.545 HD13 :: 0.545 HD21 :: 0.491 HD22 :: 0.491 HD23 :: 0.491 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 :: 120.832 Ave N Shift Values>> N :: 121.98(4.07) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.19 E 0.14 F 0.12 N 0.11 D 0.04 I 0.03 M 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 178.193 CA :: 55.970 CB :: 37.640 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 :: 7.723 HA :: 4.270 HB2 :: 2.492 HB3 :: 2.586 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 :: 119.295 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.45 H 0.01 C Shift Assignments>> CA :: 58.480 CB :: 28.920 CD1 :: 124.727 CE3 :: 121.334 CZ2 :: 114.648 CZ3 :: 122.352 CH2 :: 125.366 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.811 HA :: 4.500 HD1 :: 7.017 HE1 :: 9.889 HE3 :: 7.427 HZ2 :: 7.278 HZ3 :: 6.910 HH2 :: 6.968 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.490 NE1 :: 128.533 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.39 R 0.02 C Shift Assignments>> C :: 178.562 CA :: 58.226 CB :: 41.200 CG :: 26.733 CD1 :: 24.620 CD2 :: 25.166 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 :: 8.412 HA :: 3.290 HB2 :: 1.170 HG :: 0.968 HD11 :: 0.279 HD12 :: 0.279 HD13 :: 0.279 HD21 :: 0.265 HD22 :: 0.265 HD23 :: 0.265 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 :: 121.065 Ave N Shift Values>> N :: 121.98(4.07) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.2 K 0.2 E 0.16 I 0.06 R 0.04 M 0.01 C Shift Assignments>> C :: 178.616 CA :: 58.777 CB :: 28.163 CG :: 34.567 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.648 HA :: 3.657 HB2 :: 2.020 HB3 :: 2.090 HG2 :: 2.214 HG3 :: 2.397 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.985 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.22 E 0.14 M 0.08 R 0.03 C Shift Assignments>> C :: 176.223 CA :: 56.203 CB :: 29.524 CG :: 34.000 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.465 HA :: 4.134 HB3 :: 2.115 HG2 :: 2.408 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.481 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.19 C 0.03 L 0.02 C Shift Assignments>> C :: 176.733 CA :: 52.529 CB :: 20.124 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.420 HA :: 3.864 HB1 :: 1.357 HB2 :: 1.357 HB3 :: 1.357 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.682 Ave N Shift Values>> N :: 123.23(3.7) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 L 0.24 K 0.14 C 0.11 D 0.07 F 0.07 Y 0.05 G 0.02 C Shift Assignments>> C :: 175.740 CA :: 56.383 CB :: 42.826 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 :: 9.028 HA :: 4.673 HB2 :: 2.876 HB3 :: 2.940 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 :: 119.887 Ave N Shift Values>> N :: 120.73(4.2) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.43 HN Overlap>> 1.T143 1.T143 C Shift Assignments>> C :: 175.321 CA :: 60.011 CB :: 35.362 CG1 :: 20.676 CG2 :: 21.226 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 :: 7.379 HA :: 4.340 HB :: 1.766 HG11 :: 0.660 HG12 :: 0.660 HG13 :: 0.660 HG21 :: 0.540 HG22 :: 0.540 HG23 :: 0.540 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 :: 114.152 Ave N Shift Values>> N :: 121.02(4.96) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 173.095 CA :: 60.775 CB :: 32.824 CG1 :: 20.228 CG2 :: 21.215 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 :: 8.350 HA :: 4.799 HB :: 1.781 HG11 :: 0.518 HG12 :: 0.518 HG13 :: 0.518 HG21 :: 0.581 HG22 :: 0.581 HG23 :: 0.581 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 :: 128.429 Ave N Shift Values>> N :: 121.02(4.96) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 173.522 CA :: 59.684 CB :: 33.702 CG1 :: 20.646 CG2 :: 21.202 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 :: 8.947 HA :: 4.947 HB :: 1.688 HG11 :: 0.630 HG12 :: 0.630 HG13 :: 0.630 HG21 :: 0.666 HG22 :: 0.666 HG23 :: 0.666 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 :: 126.957 Ave N Shift Values>> N :: 121.02(4.96) 1.A83 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 L 0.29 P 0.13 A 0.11 G 0.05 K 0.04 M 0.04 R 0.01 C Shift Assignments>> C :: 130.330(A) CA :: 49.490 CB :: 23.628 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.011 HA :: 4.938 HB1 :: 1.078 HB2 :: 1.078 HB3 :: 1.078 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.705 Ave N Shift Values>> N :: 123.23(3.7) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.13 W 0.13 Q 0.13 R 0.13 C 0.11 K 0.1 M 0.05 I 0.01 HN Overlap>> 1.L44 1.L44 C Shift Assignments>> C :: 177.673 CA :: 56.714 CB :: 29.882 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 :: 8.922 HA :: 4.937 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 :: 130.330 Ave N Shift Values>> N :: 120.68(3.68) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 174.252 CA :: 59.896 CB :: 29.968 CG1 :: 22.400 CG2 :: 20.390 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 :: 8.427 HA :: 4.435 HB :: 2.717 HG11 :: 0.690 HG12 :: 0.690 HG13 :: 0.690 HG21 :: 0.710 HG22 :: 0.710 HG23 :: 0.710 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 :: 114.212 Ave N Shift Values>> N :: 121.02(4.96) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.751 CA :: 67.629 CB :: 66.819 CG2 :: 22.202 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 :: 9.347 HA :: 4.146 HB :: 4.323 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 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 :: 121.640 Ave N Shift Values>> N :: 115.7(5.05) 1.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.35 C 0.24 K 0.14 R 0.12 Q 0.08 M 0.03 HN Overlap>> 1.K42 1.Q70 1.K42 1.Q70 C Shift Assignments>> CA :: 51.898 CB :: 27.942 CG :: 32.422 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.114 HA :: 4.736 HB2 :: 1.978 HG2 :: 2.358 HG3 :: 2.287 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.367 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.436 CA :: 63.422 CB :: 31.925 CD :: 50.510 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 :: 4.061 HB2 :: 2.174 HB3 :: 2.384 HG2 :: 2.048 HG3 :: 1.771 HD2 :: 3.690 HD3 :: 4.013 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.S89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.612 CA :: 56.800 CB :: 64.196 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.044(S) HA :: 4.630 HB2 :: 4.097 HB3 :: 4.046 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 :: 115.721 Ave N Shift Values>> N :: 116.3(3.95) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 L 0.2 K 0.19 G 0.13 R 0.09 C Shift Assignments>> C :: 179.173 CA :: 57.402 CB :: 43.642 CD1 :: 27.800 CD2 :: 24.210 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 :: 9.702 HA :: 4.270 HG :: 1.650 HD11 :: 1.050 HD12 :: 1.050 HD13 :: 1.050 HD21 :: 1.120 HD22 :: 1.120 HD23 :: 1.120 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 :: 130.488 Ave N Shift Values>> N :: 121.98(4.07) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.26 P 0.09 A 0.05 L 0.02 N 0.02 C Shift Assignments>> C :: 175.106 CA :: 47.770 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.354 HA2 :: 3.680 HA3 :: 3.584 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.522 Ave N Shift Values>> N :: 109.91(4.29) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.467 CA :: 65.379 CB :: 31.785 CG1 :: 21.424 CG2 :: 22.373 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 :: 7.906 HA :: 3.940 HB :: 1.733 HG11 :: 0.733 HG12 :: 0.733 HG13 :: 0.733 HG21 :: 0.958 HG22 :: 0.958 HG23 :: 0.958 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 :: 121.741 Ave N Shift Values>> N :: 121.02(4.96) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.35 C 0.21 G 0.21 A 0.11 N 0.05 D 0.01 C Shift Assignments>> C :: 174.022 CA :: 48.319 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.595 HA2 :: 3.628 HA3 :: 3.415 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.629 Ave N Shift Values>> N :: 109.91(4.29) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 177.458 CA :: 61.760 CB :: 38.431 CD1 :: 132.770 CE1 :: 119.745 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 :: 8.372 HA :: 4.046 HD1 :: 6.721 HE1 :: 6.602 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 :: 123.383 Ave N Shift Values>> N :: 120.79(4.69) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 W 0.15 C 0.15 E 0.1 K 0.09 R 0.07 Q 0.07 H 0.07 V 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 178.590 CA :: 60.211 CB :: 29.025 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 :: 8.424 HA :: 3.421 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 :: 120.181 Ave N Shift Values>> N :: 120.68(3.68) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.39 R 0.11 G 0.01 C Shift Assignments>> C :: 179.032 CA :: 57.683 CB :: 41.883 CG :: 25.920 CD1 :: 26.902 CD2 :: 23.460 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 :: 8.210 HA :: 3.830 HG :: 1.835 HD11 :: 0.659 HD12 :: 0.659 HD13 :: 0.659 HD21 :: 0.420 HD22 :: 0.420 HD23 :: 0.420 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 :: 118.091 Ave N Shift Values>> N :: 121.98(4.07) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.22 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 175.344 CA :: 47.308 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.773 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.085 Ave N Shift Values>> N :: 109.91(4.29) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 C 0.15 Q 0.14 K 0.1 H 0.1 W 0.08 E 0.05 I 0.04 R 0.02 C Shift Assignments>> C :: 179.692 CA :: 56.308 CB :: 26.854 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 :: 8.100 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 :: 118.156 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.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.38 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 179.650 CA :: 55.166 CB :: 18.604 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.498 HA :: 3.640 HB1 :: 1.288 HB2 :: 1.288 HB3 :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.310 Ave N Shift Values>> N :: 123.23(3.7) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 180.464 CA :: 65.664 CB :: 31.065 CG1 :: 21.042 CG2 :: 24.268 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 :: 8.597 HA :: 3.798 HB :: 2.042 HG11 :: 1.000 HG12 :: 1.000 HG13 :: 1.000 HG21 :: 1.360 HG22 :: 1.360 HG23 :: 1.360 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 :: 120.603 Ave N Shift Values>> N :: 121.02(4.96) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.01 C Shift Assignments>> C :: 179.314 CA :: 54.367 CB :: 18.139 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.280 HA :: 3.963 HB1 :: 1.313 HB2 :: 1.313 HB3 :: 1.313 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.450 Ave N Shift Values>> N :: 123.23(3.7) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.24 A 0.08 R 0.06 G 0.05 C Shift Assignments>> C :: 177.306 CA :: 54.808 CB :: 42.880 CG :: 26.480 CD1 :: 25.585 CD2 :: 22.291 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 :: 7.200 HA :: 4.192 HB2 :: 1.499 HB3 :: 1.724 HG :: 1.590 HD11 :: 0.534 HD12 :: 0.534 HD13 :: 0.534 HD21 :: 0.809 HD22 :: 0.809 HD23 :: 0.809 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 :: 116.834 Ave N Shift Values>> N :: 121.98(4.07) 1.G103 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 0.01 C Shift Assignments>> C :: 175.137 CA :: 45.673 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.891 HA2 :: 3.941 HA3 :: 3.831 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.395 Ave N Shift Values>> N :: 109.91(4.29) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.33 K 0.18 G 0.05 C Shift Assignments>> CA :: 52.136 CB :: 31.045 CD :: 27.356 CE :: 42.440 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 :: 7.337 HA :: 4.402 HD2 :: 1.320 HD3 :: 1.542 HE2 :: 2.668 HE3 :: 3.350 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 :: 118.954 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> CA :: 62.791 CB :: 30.405 CG :: 27.909 CD :: 50.530 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 :: 4.781 HB2 :: 1.885 HB3 :: 2.143 HG2 :: 2.004 HG3 :: 2.340 HD2 :: 3.800 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.I106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 G 0.29 I 0.07 A 0.01 C Shift Assignments>> C :: 175.543 CA :: 59.362 CB :: 43.738 CG1 :: 27.887 CG2 :: 18.782 CD1 :: 16.485 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 :: 8.261 HA :: 4.680 HB :: 0.830 HG12 :: 0.247 HG13 :: 1.408 HG21 :: -0.198(S) HG22 :: -0.198(S) HG23 :: -0.198(S) HD11 :: 0.559 HD12 :: 0.559 HD13 :: 0.559 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 :: 123.509 Ave N Shift Values>> N :: 121.6(4.72) 1.L107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.64 C 0.19 L 0.11 G 0.03 C Shift Assignments>> C :: 174.204 CA :: 52.863 CB :: 42.408 CG :: 26.722 CD1 :: 20.300 CD2 :: 23.660 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 :: 8.584 HA :: 4.243 HB2 :: 1.823 HB3 :: 1.978 HG :: 0.455 HD11 :: -0.666(S) HD12 :: -0.666(S) HD13 :: -0.666(S) HD21 :: -0.340(S) HD22 :: -0.340(S) HD23 :: -0.340(S) 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 :: 131.882 Ave N Shift Values>> N :: 121.98(4.07) 1.C108 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> E 0.14 W 0.13 Q 0.13 H 0.13 K 0.12 R 0.11 C 0.11 M 0.04 I 0.03 C Shift Assignments>> C :: 173.134 CA :: 57.290 CB :: 29.559 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.679 HA :: 5.280 HB2 :: 2.849 HB3 :: 2.351 HG :: 1.003(A) 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 :: 122.904 Ave N Shift Values>> N :: 119.95(4.79) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.17 G 0.13 A 0.08 R 0.03 C Shift Assignments>> C :: 174.500 CA :: 53.274 CB :: 43.450 CG :: 26.537 CD1 :: 25.310 CD2 :: 22.720 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 :: 8.987 HA :: 5.120 HG :: 1.132 HD11 :: 0.310 HD12 :: 0.310 HD13 :: 0.310 HD21 :: 0.470 HD22 :: 0.470 HD23 :: 0.470 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 :: 124.653 Ave N Shift Values>> N :: 121.98(4.07) 1.F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Y 0.29 F 0.21 G 0.13 C Shift Assignments>> C :: 172.231 CA :: 55.963 CB :: 43.270 CD1 :: 130.320 CE1 :: 132.180 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 :: 8.981 HA :: 4.846 HB2 :: 2.500 HB3 :: 2.354 HD1 :: 7.110 HE1 :: 7.170 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 :: 125.052 Ave N Shift Values>> N :: 120.69(4.18) 1.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.29 G 0.19 K 0.04 L 0.02 C Shift Assignments>> CA :: 51.953 CB :: 30.008 CG :: 26.918 CD :: 43.300 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 :: 7.461 HA :: 4.804 HB3 :: 1.398 HD2 :: 2.900 HD3 :: 2.866 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 :: 128.034 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.P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.43 V 0.35 I 0.09 C 0.07 W 0.02 C Shift Assignments>> C :: 178.675 CA :: 64.024 CB :: 31.416 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) 1.Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 K 0.24 E 0.09 R 0.08 M 0.02 I 0.01 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 175.936 CA :: 57.144 CB :: 28.033 CG :: 33.848 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.188 HA :: 4.056 HB2 :: 1.892 HB3 :: 1.930 HG3 :: 2.300 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.835 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.750 CA :: 60.154 CB :: 64.282 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.730 HA :: 4.037 HB2 :: 3.726 HB3 :: 3.690 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 :: 114.887 Ave N Shift Values>> N :: 116.3(3.95) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.945 CA :: 45.233 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.005 HA2 :: 3.712 HA3 :: 4.130 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.740 Ave N Shift Values>> N :: 109.91(4.29) 1.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.33 K 0.15 G 0.07 C Shift Assignments>> C :: 175.370 CA :: 55.080 CB :: 31.215 CG :: 27.669 CD :: 43.352 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 :: 7.665 HA :: 4.449 HB2 :: 1.836 HG2 :: 1.584 HD3 :: 3.239 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 :: 119.983 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.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.980 CA :: 61.167 CB :: 32.931 CG1 :: 20.969 CG2 :: 20.543 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 :: 8.409 HA :: 4.184 HB :: 1.835 HG11 :: 0.792 HG12 :: 0.792 HG13 :: 0.792 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 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 :: 122.240 Ave N Shift Values>> N :: 121.02(4.96) 1.L118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 L 0.29 A 0.08 C Shift Assignments>> C :: 175.623 CA :: 54.555 CB :: 39.292 CG :: 25.300 CD1 :: 22.980 CD2 :: 26.063 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 :: 8.227 HA :: 3.720 HB2 :: -0.557(S) HG :: 1.378 HD11 :: 0.535 HD12 :: 0.535 HD13 :: 0.535 HD21 :: 0.177 HD22 :: 0.177 HD23 :: 0.177 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 :: 131.481 Ave N Shift Values>> N :: 121.98(4.07) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.782 CA :: 58.530 CB :: 64.785 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.780 HA :: 4.060 HB2 :: 4.190 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 :: 118.658 Ave N Shift Values>> N :: 116.3(3.95) 1.A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.42 C 0.03 I 0.02 C Shift Assignments>> C :: 179.731 CA :: 54.927 CB :: 18.627 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.955 HA :: 3.846 HB1 :: 1.329 HB2 :: 1.329 HB3 :: 1.329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 134.119 Ave N Shift Values>> N :: 123.23(3.7) 1.M121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.43 A 0.09 C Shift Assignments>> C :: 175.610 CA :: 55.968 CB :: 30.814 CG :: 32.130 CE :: 16.700 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 :: 7.718 HA :: 4.130 HB2 :: 1.740 HG2 :: 2.480 HG3 :: 2.405 HE1 :: 1.960 HE2 :: 1.960 HE3 :: 1.960 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 :: 115.424 Ave N Shift Values>> N :: 120.1(3.88) 1.I122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 M 0.03 I 0.01 C Shift Assignments>> C :: 177.108 CA :: 59.650 CB :: 34.640 CG1 :: 27.937 CG2 :: 18.208 CD1 :: 7.376 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 :: 6.451 HA :: 3.392 HB :: 1.781 HG12 :: 1.059 HG13 :: 1.320 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 HD11 :: 0.305 HD12 :: 0.305 HD13 :: 0.305 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 :: 113.418 Ave N Shift Values>> N :: 121.6(4.72) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.35 K 0.18 L 0.04 G 0.02 C Shift Assignments>> C :: 179.642 CA :: 59.242 CB :: 29.087 CG :: 27.097 CD :: 42.432 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 :: 7.540 HA :: 3.551 HB2 :: 1.543 HG2 :: 1.410 HD2 :: 2.973 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 :: 116.248 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.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.15 R 0.09 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 172.357 CA :: 44.836 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.086 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.381 Ave N Shift Values>> N :: 109.91(4.29) 1.A125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.73 M 0.24 C 0.01 C Shift Assignments>> C :: 176.908 CA :: 51.593 CB :: 16.997 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.411 HA :: 2.441(S) HB1 :: 0.146(S) HB2 :: 0.146(S) HB3 :: 0.146(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.136 Ave N Shift Values>> N :: 123.23(3.7) 1.A126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.75 M 0.21 C 0.01 C Shift Assignments>> C :: 177.535 CA :: 52.403 CB :: 18.375 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.190(S) HA :: 3.829 HB1 :: 1.283 HB2 :: 1.283 HB3 :: 1.283 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.999 Ave N Shift Values>> N :: 123.23(3.7) 1.D127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 C 0.11 K 0.1 N 0.1 R 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 177.795 CA :: 52.855 CB :: 41.814 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 :: 8.877 HA :: 4.665 HB2 :: 2.523 HB3 :: 2.908 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 :: 121.828 Ave N Shift Values>> N :: 120.73(4.2) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.822 CA :: 45.549 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.954 HA2 :: 3.830 HA3 :: 4.249 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.814 Ave N Shift Values>> N :: 109.91(4.29) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.178 CA :: 58.653 CB :: 63.316 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.547 HA :: 4.486 HB2 :: 3.693 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 :: 115.599 Ave N Shift Values>> N :: 116.3(3.95) 1.R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.14 G 0.03 L 0.01 C Shift Assignments>> C :: 175.518 CA :: 58.479 CB :: 29.952 CG :: 27.433 CD :: 42.740 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 :: 8.795 HA :: 4.160 HB3 :: 1.973 HG2 :: 1.659 HD3 :: 3.090 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 :: 127.611 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.F131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.34 C 0.26 C Shift Assignments>> C :: 175.058 CA :: 55.953 CB :: 40.189 CD1 :: 131.009 CE1 :: 132.009 CZ :: 128.891 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 :: 9.315 HA :: 4.878 HB2 :: 2.580 HB3 :: 3.475 HD1 :: 6.725 HE1 :: 6.880 HZ :: 6.647 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 :: 126.219 Ave N Shift Values>> N :: 120.69(4.18) 1.Q132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.33 E 0.13 Q 0.12 K 0.02 HN Overlap>> 1.D135 1.D135 C Shift Assignments>> CA :: 54.498 CB :: 32.106 CG :: 34.634 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.160 HA :: 5.013 HB3 :: 1.819 HG2 :: 1.942 HG3 :: 2.155 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.589 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.37 C Shift Assignments>> C :: 174.441 CA :: 60.758 CB :: 32.417 CG1 :: 21.009 CG2 :: 21.620 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 :: 8.689 HA :: 4.529 HB :: 1.882 HG11 :: 0.540 HG12 :: 0.540 HG13 :: 0.540 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 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 :: 122.441 Ave N Shift Values>> N :: 121.02(4.96) 1.W134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.48 C Shift Assignments>> C :: 174.575 CA :: 53.859 CB :: 31.311 CD1 :: 123.748 CE3 :: 121.078 CZ2 :: 115.079 CZ3 :: 122.344 CH2 :: 124.236 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.256 HA :: 5.213 HB3 :: 3.006 HD1 :: 6.954 HE1 :: 9.848 HE3 :: 7.264 HZ2 :: 7.335 HZ3 :: 7.481 HH2 :: 6.889 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 130.303 NE1 :: 128.786 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.3 L 0.2 K 0.11 N 0.11 C 0.1 F 0.05 Y 0.04 R 0.04 HN Overlap>> 1.Q132 1.Q132 C Shift Assignments>> C :: 177.020 CA :: 53.321 CB :: 41.514 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 :: 8.237 HA :: 6.018(S) HB2 :: 2.350 HB3 :: 2.530 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 :: 125.516 Ave N Shift Values>> N :: 120.73(4.2) 1.Y136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.46 G 0.03 C Shift Assignments>> C :: 172.324 CA :: 55.982 CB :: 42.265 CD1 :: 133.819 CE1 :: 117.769 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 :: 9.058 HA :: 4.970 HB3 :: 2.830 HD1 :: 6.969 HE1 :: 6.353 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 :: 120.315 Ave N Shift Values>> N :: 120.79(4.69) 1.A137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.06 C 0.03 G 0.01 C Shift Assignments>> C :: 178.561 CA :: 49.550 CB :: 19.998 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.521 HA :: 4.280 HB1 :: 1.261 HB2 :: 1.261 HB3 :: 1.261 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.386 Ave N Shift Values>> N :: 123.23(3.7) 1.E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 I 0.29 E 0.26 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.624 CA :: 60.527 CB :: 29.020 CG :: 36.044 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 :: 8.678 HA :: 3.777 HB2 :: 1.856 HB3 :: 2.016 HG3 :: 2.189 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 :: 121.774 Ave N Shift Values>> N :: 120.68(3.68) 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 175.122 CA :: 46.093 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.666 HA2 :: 3.872 HA3 :: 3.872 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.053 Ave N Shift Values>> N :: 109.91(4.29) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.34 M 0.15 K 0.07 Q 0.06 I 0.01 HN Overlap>> 1.S164 1.S164 C Shift Assignments>> C :: 177.819 CA :: 55.049 CB :: 30.504 CG :: 36.020 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 :: 8.305 HA :: 4.754 HB3 :: 2.267 HG2 :: 2.396 HG3 :: 2.218 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 :: 117.485 Ave N Shift Values>> N :: 120.68(3.68) 1.V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 175.454 CA :: 66.769 CB :: 31.377 CG1 :: 19.435 CG2 :: 23.164 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 :: 7.267 HA :: 3.422 HB :: 2.128 HG11 :: 0.744 HG12 :: 0.744 HG13 :: 0.744 HG21 :: 0.532 HG22 :: 0.532 HG23 :: 0.532 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 :: 120.764 Ave N Shift Values>> N :: 121.02(4.96) 1.E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 P 0.41 C 0.08 R 0.02 W 0.02 C Shift Assignments>> C :: 177.320 CA :: 62.607 CB :: 26.759 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 :: 8.620 HA :: 3.592 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 :: 120.048 Ave N Shift Values>> N :: 120.68(3.68) 1.T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.V80 1.V80 C Shift Assignments>> C :: 177.258 CA :: 65.490 CB :: 68.641 CG2 :: 21.782 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 :: 7.449 HA :: 4.003 HB :: 4.221 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 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 :: 114.073 Ave N Shift Values>> N :: 115.7(5.05) 1.M144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.43 A 0.04 C Shift Assignments>> C :: 178.233 CA :: 57.743 CB :: 31.326 CG :: 32.990 CE :: 18.237 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 :: 7.992 HA :: 4.316 HB2 :: 1.927 HB3 :: 2.205 HG2 :: 2.586 HG3 :: 2.672 HE1 :: 2.008 HE2 :: 2.008 HE3 :: 2.008 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 :: 120.595 Ave N Shift Values>> N :: 120.1(3.88) 1.L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.28 R 0.12 K 0.01 C Shift Assignments>> C :: 178.774 CA :: 57.877 CB :: 40.951 CG :: 26.149 CD1 :: 27.873 CD2 :: 22.743 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 :: 7.847 HA :: 3.919 HG :: 1.794 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 HD21 :: 0.607 HD22 :: 0.607 HD23 :: 0.607 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 :: 119.410 Ave N Shift Values>> N :: 121.98(4.07) 1.D146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.25 C 0.19 I 0.08 D 0.07 L 0.06 N 0.02 K 0.01 E 0.01 C Shift Assignments>> C :: 178.129 CA :: 57.464 CB :: 39.548 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 :: 8.431 HA :: 4.312 HB2 :: 2.710 HB3 :: 2.910 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 :: 119.837 Ave N Shift Values>> N :: 120.73(4.2) 1.R147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.12 K 0.05 L 0.01 HN Overlap>> 1.Q155 1.Q155 C Shift Assignments>> C :: 179.547 CA :: 58.972 CB :: 29.798 CG :: 26.999 CD :: 43.688 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 :: 7.949 HA :: 4.050 HB2 :: 2.070 HG2 :: 1.815 HG3 :: 1.687 HD2 :: 2.970 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 :: 119.173 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.Y148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 178.199 CA :: 62.347 CB :: 37.418 CD1 :: 133.173 CE1 :: 117.649 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 :: 8.128 HA :: 3.995 HB2 :: 2.698 HB3 :: 2.540 HD1 :: 5.553 HE1 :: 5.866 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 :: 120.102 Ave N Shift Values>> N :: 120.79(4.69) 1.F149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.34 C 0.25 C Shift Assignments>> C :: 177.574 CA :: 63.044 CB :: 37.153 CD1 :: 132.517 CE1 :: 130.890 CZ :: 128.433 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 :: 8.308 HA :: 4.013 HD1 :: 7.148 HE1 :: 6.778 HZ :: 6.592 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 :: 116.680 Ave N Shift Values>> N :: 120.69(4.18) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.2 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.687 CA :: 58.746 CB :: 28.847 CG :: 36.540 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 :: 8.271 HA :: 4.030 HB2 :: 1.920 HB3 :: 2.080 HG2 :: 2.390 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 :: 119.973 Ave N Shift Values>> N :: 120.68(3.68) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 C Shift Assignments>> C :: 178.190 CA :: 52.779 CB :: 19.087 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.992 HA :: 4.217 HB1 :: 1.152 HB2 :: 1.152 HB3 :: 1.152 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.629 Ave N Shift Values>> N :: 123.23(3.7) 1.Y152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 175.703 CA :: 59.260 CB :: 39.165 CD1 :: 133.478 CE1 :: 118.228 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 :: 7.722 HA :: 4.137 HB2 :: 2.361 HB3 :: 2.588 HD1 :: 6.847 HE1 :: 6.617 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 :: 118.767 Ave N Shift Values>> N :: 120.79(4.69) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.32 A 0.01 R 0.01 C Shift Assignments>> CA :: 54.704 CB :: 40.520 CG :: 27.157 CD1 :: 25.460 CD2 :: 23.804 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 :: 7.670 HA :: 4.145 HB2 :: 1.474 HB3 :: 1.638 HG :: 1.761 HD11 :: 0.995 HD12 :: 0.995 HD13 :: 0.995 HD21 :: 0.953 HD22 :: 0.953 HD23 :: 0.953 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 :: 122.313 Ave N Shift Values>> N :: 121.98(4.07) 1.P154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.496 CA :: 63.899 CB :: 31.080 CG :: 27.727 CD :: 50.645 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 :: 4.258 HB2 :: 1.733 HB3 :: 2.186 HG2 :: 1.941 HG3 :: 1.868 HD2 :: 3.395 HD3 :: 3.585 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.Q155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.14 C 0.11 W 0.11 R 0.1 E 0.1 L 0.04 M 0.02 I 0.01 HN Overlap>> 1.R147 1.R147 C Shift Assignments>> C :: 176.636 CA :: 55.968 CB :: 28.723 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.023 HA :: 4.176 HB2 :: 1.882 HB3 :: 2.000 HG3 :: 2.294 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.173 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K156 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.34 R 0.23 M 0.03 C Shift Assignments>> C :: 56.493(A) CA :: 56.493 CB :: 32.037 CG :: 24.520 CD :: 28.640 CE :: 41.840 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 :: 8.113 HA :: 4.196 HB2 :: 1.600 HB3 :: 1.733 HG2 :: 1.343 HG3 :: 1.316 HD2 :: 1.597 HE2 :: 2.918 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 :: 122.788 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.580 CA :: 61.958 CB :: 69.665 CG2 :: 21.395 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 :: 8.013 HA :: 4.183 HB :: 4.097 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 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 :: 115.504 Ave N Shift Values>> N :: 115.7(5.05) 1.A158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.21 C 0.02 HN Overlap>> 1.A49 1.A49 C Shift Assignments>> CA :: 52.492 CB :: 18.810 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.170 HA :: 4.220 HB1 :: 1.323 HB2 :: 1.323 HB3 :: 1.323 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.825 Ave N Shift Values>> N :: 123.23(3.7) 1.S159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.230 CB :: 63.440 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.762 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 :: 123.078 Ave N Shift Values>> N :: 116.3(3.95) 1.S160 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S161 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.18 C 0.15 Q 0.14 K 0.12 R 0.11 W 0.1 E 0.07 M 0.06 L 0.02 C Shift Assignments>> CA :: 53.590 CB :: 29.398 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>> HA :: 4.845 HB2 :: 3.070 HB3 :: 2.960 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) 1.P163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.018 CA :: 63.118 CB :: 31.668 CG :: 27.124 CD :: 50.432 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 :: 4.388 HB2 :: 1.862 HB3 :: 2.198 HG2 :: 1.895 HD2 :: 3.624 HD3 :: 3.413 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.S164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E140 1.E140 C Shift Assignments>> C :: 173.327 CA :: 58.202 CB :: 64.080 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.418 HA :: 4.338 HB3 :: 3.782 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 :: 117.485 Ave N Shift Values>> N :: 116.3(3.95) 1.A165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.31 C 0.04 L 0.04 C Shift Assignments>> CA :: 53.768 CB :: 20.121 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.856 HA :: 4.041 HB1 :: 1.229 HB2 :: 1.229 HB3 :: 1.229 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.885 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 155 #Clerical: 0 #Suspicious: 7 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 161 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 165 #Suspicious: 0 C Shift Results: #Consistent: 632 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 H Shift Results: #Consistent: 881 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 1 N Shift Results: #Consistent: 146 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A83 C = 130.330(A), Expected = 177.80, Std = 2.1800, ChiSquare = 0.0000e+00 1.S89 H = 6.044(S), Expected = 8.29, Std = 0.6200, ChiSquare = 2.9168e-04 1.I106 HG21 = -0.198(S), Expected = 0.80, Std = 0.2900, ChiSquare = 5.7876e-04 1.I106 HG22 = -0.198(S), Expected = 0.80, Std = 0.2900, ChiSquare = 5.7876e-04 1.I106 HG23 = -0.198(S), Expected = 0.80, Std = 0.2900, ChiSquare = 5.7876e-04 1.L107 HD11 = -0.666(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0462e-07 1.L107 HD12 = -0.666(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0462e-07 1.L107 HD13 = -0.666(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0462e-07 1.L107 HD21 = -0.340(S), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5452e-05 1.L107 HD22 = -0.340(S), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5452e-05 1.L107 HD23 = -0.340(S), Expected = 0.76, Std = 0.2800, ChiSquare = 8.5452e-05 1.C108 HG = 1.003(A), Expected = 1.66, Std = 0.4800, ChiSquare = 1.7108e-01 1.L118 HB2 = -0.557(S), Expected = 1.63, Std = 0.3400, ChiSquare = 1.2564e-10 1.A125 HA = 2.441(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.4847e-05 1.A125 HB1 = 0.146(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.9741e-07 1.A125 HB2 = 0.146(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.9741e-07 1.A125 HB3 = 0.146(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.9741e-07 1.A126 H = 6.190(S), Expected = 8.20, Std = 0.6000, ChiSquare = 8.0812e-04 1.D135 HA = 6.018(S), Expected = 4.61, Std = 0.3100, ChiSquare = 5.5740e-06 1.K156 C = 56.493(A), Expected = 176.46, Std = 2.0500, ChiSquare = 0.0000e+00