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.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.06 C 0.01 C Shift Assignments>> C :: 177.056 CA :: 52.025 CB :: 19.530 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.185 HA :: 4.465 HB1 :: 1.443 HB2 :: 1.443 HB3 :: 1.443 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.803 Ave N Shift Values>> N :: 123.23(3.54) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 C Shift Assignments>> C :: 177.724 CA :: 52.288 CB :: 19.442 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.189 HA :: 4.326 HB1 :: 1.434 HB2 :: 1.434 HB3 :: 1.434 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.646 Ave N Shift Values>> N :: 123.23(3.54) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.25 C 0.22 R 0.12 A 0.04 HN Overlap>> 1.E8 1.E8 C Shift Assignments>> C :: 176.726 CA :: 53.847 CB :: 43.953 CG :: 26.879 CD1 :: 23.364 CD2 :: 26.913 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.876 HA :: 4.489 HB2 :: 1.495 HB3 :: 1.616 HG :: 1.758 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.384 Ave N Shift Values>> N :: 121.86(3.9) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.894 CA :: 56.632 CB :: 65.099 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.449 HA :: 4.483 HB2 :: 4.054 HB3 :: 4.398 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.461 Ave N Shift Values>> N :: 116.28(3.52) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.37 E 0.11 C Shift Assignments>> C :: 178.730 CA :: 61.028 CB :: 28.976 CG :: 37.451 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.257 HA :: 3.787 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.379 HG3 :: 2.452 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.983 Ave N Shift Values>> N :: 120.67(3.48) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.21 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.558 CA :: 59.625 CB :: 29.312 CG :: 36.484 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.660 HA :: 4.077 HB2 :: 1.953 HB3 :: 2.104 HG2 :: 2.324 HG3 :: 2.265 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.599 Ave N Shift Values>> N :: 120.67(3.48) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.37 I 0.11 M 0.04 K 0.02 Q 0.01 HN Overlap>> 1.L4 1.L4 C Shift Assignments>> C :: 179.085 CA :: 58.839 CB :: 30.244 CG :: 36.875 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.841 HA :: 4.048 HB2 :: 1.967 HB3 :: 2.216 HG2 :: 2.342 HG3 :: 2.342 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.467 Ave N Shift Values>> N :: 120.67(3.48) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.42 R 0.02 HN Overlap>> 1.M122 1.M122 C Shift Assignments>> C :: 181.051 CA :: 57.376 CB :: 40.867 CG :: 27.746 CD1 :: 25.987 CD2 :: 26.036 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.729 HA :: 3.948 HB2 :: 1.800 HB3 :: 1.800 HG :: 1.763 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.716 Ave N Shift Values>> N :: 121.86(3.9) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.28 E 0.24 K 0.05 Q 0.02 C Shift Assignments>> C :: 177.525 CA :: 60.701 CB :: 29.152 CG :: 36.077 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.636 HA :: 3.557 HB2 :: 2.117 HB3 :: 2.117 HG2 :: 2.049 HG3 :: 2.049 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.653 Ave N Shift Values>> N :: 120.67(3.48) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.46 R 0.04 HN Overlap>> 1.V103 1.V103 C Shift Assignments>> C :: 180.396 CA :: 59.628 CB :: 32.447 CG :: 25.100 CD :: 29.160 CE :: 41.662 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.485 HA :: 3.884 HB2 :: 1.911 HB3 :: 1.911 HG2 :: 1.600 HG3 :: 1.388 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 2.930 HE3 :: 2.930 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.461 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 C Shift Assignments>> C :: 179.365 CA :: 58.822 CB :: 32.657 CG :: 25.786 CD :: 28.619 CE :: 41.709 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.512 HA :: 4.116 HB2 :: 1.807 HB3 :: 1.837 HG2 :: 1.551 HG3 :: 1.536 HD2 :: 1.890 HD3 :: 1.890 HE2 :: 2.948 HE3 :: 2.948 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.975 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 HN Overlap>> 1.V184 1.V184 1.E94 1.E94 C Shift Assignments>> C :: 174.895 CA :: 63.989 CB :: 62.267 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.656 HA :: 4.129 HB2 :: 3.538 HB3 :: 4.019 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.933 Ave N Shift Values>> N :: 116.28(3.52) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.46 R 0.04 C Shift Assignments>> C :: 178.022 CA :: 59.768 CB :: 32.103 CG :: 24.775 CD :: 29.273 CE :: 41.644 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.582 HA :: 3.705 HB2 :: 1.601 HB3 :: 1.779 HG2 :: 0.960 HG3 :: 0.960 HD2 :: 1.387 HD3 :: 1.551 HE2 :: 2.718 HE3 :: 2.823 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.175 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.41 I 0.03 C 0.02 HN Overlap>> 1.W104 1.W104 C Shift Assignments>> C :: 180.616 CA :: 54.950 CB :: 18.069 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.174 HA :: 4.201 HB1 :: 1.529 HB2 :: 1.529 HB3 :: 1.529 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.446 Ave N Shift Values>> N :: 123.23(3.54) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 HN Overlap>> 1.I100 1.I100 C Shift Assignments>> C :: 179.193 CA :: 64.832 CB :: 39.451 CG1 :: 28.914 CG2 :: 16.338 CD1 :: 14.912 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.338 HA :: 3.812 HB :: 2.043 HG12 :: 2.063 HG13 :: 2.063 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.655 Ave N Shift Values>> N :: 121.46(4.28) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> C :: 177.108 CA :: 66.334 CB :: 37.754 CG1 :: 32.117 CG2 :: 17.087 CD1 :: 13.059 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.557 HA :: 3.514 HB :: 1.867 HG12 :: 0.457 HG13 :: 1.555 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 HD11 :: 0.112 HD12 :: 0.112 HD13 :: 0.112 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.634 Ave N Shift Values>> N :: 121.46(4.28) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.3 I 0.19 K 0.08 Q 0.04 HN Overlap>> 1.R47 1.R47 C Shift Assignments>> C :: 179.902 CA :: 59.575 CB :: 28.989 CG :: 36.077 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.419 HA :: 4.000 HB2 :: 2.068 HB3 :: 2.068 HG2 :: 2.386 HG3 :: 2.386 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.704 Ave N Shift Values>> N :: 120.67(3.48) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.18 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.895 CA :: 59.435 CB :: 29.300 CG :: 36.322 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.887 HA :: 4.311 HB2 :: 2.169 HB3 :: 2.169 HG2 :: 2.381 HG3 :: 2.381 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.210 Ave N Shift Values>> N :: 120.67(3.48) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 179.011 CA :: 60.094 CB :: 38.041 CD1 :: 132.579 CD2 :: 132.579 CE1 :: 117.444 CE2 :: 117.444 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.586 HA :: 4.767 HB2 :: 3.099 HB3 :: 3.251 HD1 :: 6.913 HD2 :: 6.913 HE1 :: 6.396 HE2 :: 6.396 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.946 Ave N Shift Values>> N :: 120.52(4.2) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.43 A 0.02 R 0.01 C Shift Assignments>> C :: 177.732 CA :: 56.650 CB :: 40.846 CG :: 26.657 CD1 :: 26.646 CD2 :: 22.422 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.794 HA :: 3.780 HB2 :: 1.338 HB3 :: 1.848 HG :: 2.039 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.473 Ave N Shift Values>> N :: 121.86(3.9) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 W 0.33 H 0.32 C Shift Assignments>> C :: 176.042 CA :: 57.845 CB :: 31.423 CD2 :: 120.113 CE1 :: 137.396 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.536 HA :: 4.665 HB2 :: 3.304 HB3 :: 3.206 HD2 :: 7.022 HE1 :: 7.870 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.975 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.26 R 0.06 A 0.04 G 0.04 HN Overlap>> 1.I114 1.I114 C Shift Assignments>> C :: 178.161 CA :: 55.408 CB :: 42.913 CG :: 26.965 CD1 :: 25.081 CD2 :: 22.581 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.411 HA :: 4.168 HB2 :: 1.503 HB3 :: 1.798 HG :: 1.483 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 0.698 HD22 :: 0.698 HD23 :: 0.698 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.979 Ave N Shift Values>> N :: 121.86(3.9) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.16 Y 0.08 E 0.06 F 0.06 D 0.05 M 0.04 L 0.01 HN Overlap>> 1.Y83 1.Y83 C Shift Assignments>> C :: 173.432 CA :: 53.618 CB :: 37.455 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.595 HA :: 3.799 HB2 :: 2.289 HB3 :: 2.883 HD21 :: 6.095 HD22 :: 7.027 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.188 ND2 :: 109.139 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.27 L 0.15 F 0.05 C 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 176.828 CA :: 52.527 CB :: 40.711 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.439 HA :: 4.894 HB2 :: 3.082 HB3 :: 2.301 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.014 Ave N Shift Values>> N :: 120.65(3.86) 1.M26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.45 C Shift Assignments>> C :: 176.893 CA :: 58.687 CB :: 33.375 CG :: 31.804 CE :: 16.762 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.698 HA :: 4.213 HB2 :: 2.143 HB3 :: 2.348 HG2 :: 2.581 HG3 :: 2.451 HE1 :: 2.098 HE2 :: 2.098 HE3 :: 2.098 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 127.704 Ave N Shift Values>> N :: 120.09(3.57) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.07 HN Overlap>> 1.M96 1.M96 C Shift Assignments>> C :: 179.687 CA :: 59.672 CB :: 31.664 CG :: 24.939 CD :: 28.998 CE :: 41.738 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.097 HA :: 3.882 HB2 :: 1.934 HB3 :: 1.934 HG2 :: 1.393 HG3 :: 1.540 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 3.017 HE3 :: 3.017 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.460 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.26 K 0.17 Q 0.17 I 0.04 M 0.02 C Shift Assignments>> C :: 178.401 CA :: 58.309 CB :: 29.301 CG :: 35.161 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.892 HA :: 4.054 HB2 :: 1.914 HB3 :: 1.914 HG2 :: 2.176 HG3 :: 2.318 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.971 Ave N Shift Values>> N :: 120.67(3.48) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 M 0.41 C 0.06 I 0.04 V 0.02 L 0.01 C Shift Assignments>> C :: 179.063 CA :: 55.716 CB :: 19.145 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.628 HA :: 4.036 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.576 Ave N Shift Values>> N :: 123.23(3.54) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.752 CA :: 66.653 CB :: 31.374 CG1 :: 21.187 CG2 :: 23.326 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.283 HA :: 3.184 HB :: 2.057 HG11 :: 0.831 HG12 :: 0.831 HG13 :: 0.831 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.470 Ave N Shift Values>> N :: 121.14(4.54) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.23 K 0.2 R 0.13 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 178.655 CA :: 58.671 CB :: 27.751 CG :: 33.460 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.755 HA :: 3.900 HB2 :: 2.127 HB3 :: 2.127 HG2 :: 2.342 HG3 :: 2.342 HE21 :: 6.690 HE22 :: 7.672 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.971 NE2 :: 112.412 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 I 0.36 C 0.09 W 0.01 C Shift Assignments>> C :: 177.903 CA :: 63.686 CB :: 26.814 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.323 HA :: 4.042 HB2 :: 3.059 HB3 :: 2.604 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.706 Ave N Shift Values>> N :: 120.17(4.64) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 178.750 CA :: 66.173 CB :: 30.323 CG1 :: 22.006 CG2 :: 23.368 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.920 HA :: 3.263 HB :: 1.749 HG11 :: 0.399 HG12 :: 0.399 HG13 :: 0.399 HG21 :: 0.343 HG22 :: 0.343 HG23 :: 0.343 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.197 Ave N Shift Values>> N :: 121.14(4.54) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.2 K 0.18 R 0.11 I 0.03 E 0.02 P 0.01 M 0.01 C Shift Assignments>> C :: 179.563 CA :: 59.496 CB :: 27.687 CG :: 33.526 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.156 HA :: 3.450 HB2 :: 1.974 HB3 :: 1.435 HG2 :: 2.032 HG3 :: 1.908 HE21 :: 7.167 HE22 :: 6.747 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.983 NE2 :: 110.461 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 I 0.13 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.551 CA :: 57.880 CB :: 29.305 CG :: 36.797 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.912 HA :: 3.941 HB2 :: 1.997 HB3 :: 2.059 HG2 :: 2.471 HG3 :: 2.257 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.972 Ave N Shift Values>> N :: 120.67(3.48) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.4 A 0.01 C Shift Assignments>> C :: 178.211 CA :: 56.796 CB :: 40.719 CG :: 25.249 CD1 :: 25.083 CD2 :: 22.899 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.418 HA :: 3.968 HB2 :: 1.195 HB3 :: 1.954 HG :: 2.141 HD11 :: 0.684 HD12 :: 0.684 HD13 :: 0.684 HD21 :: 0.739 HD22 :: 0.739 HD23 :: 0.739 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.223 Ave N Shift Values>> N :: 121.86(3.9) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.25 HN Overlap>> 1.I146 1.I146 C Shift Assignments>> C :: 176.273 CA :: 51.959 CB :: 17.144 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.762 HA :: 4.094 HB1 :: 1.305 HB2 :: 1.305 HB3 :: 1.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.235 Ave N Shift Values>> N :: 123.23(3.54) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.G177 1.G177 C Shift Assignments>> C :: 172.551 CA :: 54.956 CB :: 65.987 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.792 HA :: 5.162 HB2 :: 3.426 HB3 :: 3.834 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.435 Ave N Shift Values>> N :: 116.28(3.52) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 179.171 CA :: 64.931 CB :: 31.203 CG :: 27.491 CD :: 50.240 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.221 HB2 :: 2.513 HB3 :: 2.066 HG2 :: 2.097 HG3 :: 2.097 HD2 :: 3.427 HD3 :: 3.714 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 136.548 Ave N Shift Values>> N :: 134.16(6.62) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.897 CA :: 59.444 CB :: 62.732 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.269 HA :: 4.551 HB2 :: 3.988 HB3 :: 4.097 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.870 Ave N Shift Values>> N :: 116.28(3.52) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.37 C 0.17 R 0.03 A 0.03 HN Overlap>> 1.V159 1.V159 C Shift Assignments>> C :: 176.871 CA :: 53.694 CB :: 44.474 CG :: 26.802 CD1 :: 23.583 CD2 :: 26.152 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.745 HA :: 5.011 HB2 :: 1.433 HB3 :: 1.824 HG :: 1.584 HD11 :: 1.045 HD12 :: 1.045 HD13 :: 1.045 HD21 :: 0.869 HD22 :: 0.869 HD23 :: 0.869 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.213 Ave N Shift Values>> N :: 121.86(3.9) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.39 A 0.04 R 0.02 C Shift Assignments>> C :: 178.591 CA :: 56.932 CB :: 41.502 CG :: 26.324 CD1 :: 21.777 CD2 :: 25.655 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.131 HA :: 4.032 HB2 :: 1.845 HB3 :: 1.493 HG :: 2.065 HD11 :: 0.575 HD12 :: 0.575 HD13 :: 0.575 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.972 Ave N Shift Values>> N :: 121.86(3.9) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Y 0.28 F 0.24 C Shift Assignments>> C :: 176.267 CA :: 60.216 CB :: 37.996 CD1 :: 130.059 CD2 :: 130.059 CE1 :: 132.020 CE2 :: 132.020 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.428 HA :: 4.275 HB2 :: 2.777 HB3 :: 3.124 HD1 :: 7.346 HD2 :: 7.346 HE1 :: 7.511 HE2 :: 7.511 HZ :: 7.411 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.458 Ave N Shift Values>> N :: 120.45(4.18) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.238 CA :: 64.471 CB :: 38.001 CG1 :: 28.932 CG2 :: 16.493 CD1 :: 13.807 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.964 HA :: 3.239 HB :: 1.584 HG12 :: 0.200 HG13 :: 0.481 HG21 :: 0.745 HG22 :: 0.745 HG23 :: 0.745 HD11 :: 0.781 HD12 :: 0.781 HD13 :: 0.781 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.748 Ave N Shift Values>> N :: 121.46(4.28) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.28 Y 0.16 C Shift Assignments>> C :: 176.785 CA :: 61.661 CB :: 39.493 CD1 :: 130.689 CD2 :: 130.689 CZ :: 128.363 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.744 HA :: 3.880 HB2 :: 3.447 HB3 :: 2.884 HD1 :: 7.085 HD2 :: 7.085 HE1 :: 6.933 HE2 :: 6.933 HZ :: 6.773 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.982 Ave N Shift Values>> N :: 120.45(4.18) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.H69 1.H69 C Shift Assignments>> C :: 176.578 CA :: 66.805 CB :: 32.423 CG1 :: 23.847 CG2 :: 20.256 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.122 HA :: 3.334 HB :: 2.269 HG11 :: 1.274 HG12 :: 1.274 HG13 :: 1.274 HG21 :: 0.930 HG22 :: 0.930 HG23 :: 0.930 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.690 Ave N Shift Values>> N :: 121.14(4.54) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.32 G 0.12 K 0.05 L 0.01 HN Overlap>> 1.E18 1.E18 C Shift Assignments>> C :: 178.548 CA :: 60.007 CB :: 29.438 CG :: 26.346 CD :: 43.603 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.419 HA :: 3.726 HB2 :: 1.887 HB3 :: 2.083 HG2 :: 1.472 HG3 :: 1.772 HD2 :: 3.121 HD3 :: 3.044 HE :: 7.457 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.717 NE :: 85.020 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 H 0.24 W 0.22 C Shift Assignments>> C :: 178.641 CA :: 59.838 CB :: 29.158 CD2 :: 117.000 CE1 :: 139.887 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.262 HA :: 4.281 HB2 :: 2.992 HB3 :: 2.733 HD2 :: 6.675 HE1 :: 7.658 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.930 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.09 L 0.04 P 0.03 A 0.03 N 0.01 C Shift Assignments>> C :: 175.409 CA :: 47.544 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.785 HA2 :: 3.599 HA3 :: 3.728 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.217 Ave N Shift Values>> N :: 109.67(3.87) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.197 CA :: 66.057 CB :: 31.194 CG1 :: 21.570 CG2 :: 21.730 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.273 HA :: 3.599 HB :: 2.193 HG11 :: 0.934 HG12 :: 0.934 HG13 :: 0.934 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.708 Ave N Shift Values>> N :: 121.14(4.54) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.3 I 0.22 K 0.03 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.511 CA :: 60.107 CB :: 29.795 CG :: 36.636 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.686 HA :: 3.750 HB2 :: 1.997 HB3 :: 2.064 HG2 :: 2.174 HG3 :: 2.320 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.725 Ave N Shift Values>> N :: 120.67(3.48) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.728 CA :: 60.875 CB :: 63.541 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.473 HA :: 4.225 HB2 :: 3.642 HB3 :: 3.770 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.698 Ave N Shift Values>> N :: 116.28(3.52) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 176.764 CA :: 62.907 CB :: 69.598 CG2 :: 23.538 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.276 HA :: 4.248 HB :: 3.985 HG21 :: 1.193 HG22 :: 1.193 HG23 :: 1.193 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.860 Ave N Shift Values>> N :: 115.42(4.75) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.44 R 0.01 G 0.01 C Shift Assignments>> C :: 176.189 CA :: 59.050 CB :: 42.082 CG :: 26.524 CD1 :: 24.689 CD2 :: 24.970 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.895 HA :: 3.772 HB2 :: 1.844 HB3 :: 1.629 HG :: 1.756 HD11 :: 0.787 HD12 :: 0.787 HD13 :: 0.787 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.975 Ave N Shift Values>> N :: 121.86(3.9) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 E 0.29 M 0.1 I 0.02 K 0.01 C Shift Assignments>> C :: 176.334 CA :: 54.490 CB :: 30.582 CG :: 37.844 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.036 HA :: 4.357 HB2 :: 1.737 HB3 :: 2.342 HG2 :: 2.127 HG3 :: 2.066 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 110.689 Ave N Shift Values>> N :: 120.67(3.48) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.38 K 0.13 G 0.03 HN Overlap>> 1.L105 1.L105 C Shift Assignments>> C :: 174.249 CA :: 56.667 CB :: 31.195 CG :: 27.406 CD :: 43.067 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.226 HA :: 4.357 HB2 :: 1.714 HB3 :: 1.890 HG2 :: 1.565 HG3 :: 1.565 HD2 :: 3.183 HD3 :: 3.033 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.711 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.543 CA :: 56.815 CB :: 64.845 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.059 HA :: 4.507 HB2 :: 4.141 HB3 :: 4.141 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.452 Ave N Shift Values>> N :: 116.28(3.52) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.03 C 0.03 C Shift Assignments>> C :: 180.787 CA :: 55.233 CB :: 18.290 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.759 HA :: 3.982 HB1 :: 1.390 HB2 :: 1.390 HB3 :: 1.390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.705 Ave N Shift Values>> N :: 123.23(3.54) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.718 CA :: 62.591 CB :: 37.590 CG1 :: 28.685 CG2 :: 17.485 CD1 :: 12.893 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.863 HA :: 3.837 HB :: 1.607 HG12 :: 1.023 HG13 :: 1.195 HG21 :: 0.678 HG22 :: 0.678 HG23 :: 0.678 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.626 Ave N Shift Values>> N :: 121.46(4.28) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.47 I 0.02 C 0.02 C Shift Assignments>> C :: 180.010 CA :: 54.781 CB :: 18.215 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.673 HA :: 4.075 HB1 :: 1.455 HB2 :: 1.455 HB3 :: 1.455 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.703 Ave N Shift Values>> N :: 123.23(3.54) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 K 0.22 R 0.03 G 0.02 C Shift Assignments>> C :: 178.053 CA :: 60.868 CB :: 31.296 CG :: 30.195 CD :: 42.446 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.705 HA :: 3.926 HB2 :: 1.376 HB3 :: 2.096 HG2 :: 1.176 HG3 :: 2.017 HD2 :: 3.352 HD3 :: 3.575 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.717 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.21 I 0.14 K 0.13 Q 0.11 R 0.01 C Shift Assignments>> C :: 179.357 CA :: 59.634 CB :: 28.487 CG :: 35.286 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.199 HA :: 4.074 HB2 :: 2.106 HB3 :: 2.018 HG2 :: 2.168 HG3 :: 2.282 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.721 Ave N Shift Values>> N :: 120.67(3.48) 1.H63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.34 C 0.31 C Shift Assignments>> C :: 180.883 CA :: 57.897 CB :: 28.711 CD2 :: 119.000 CE1 :: 138.128 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.841 HA :: 4.705 HB2 :: 3.101 HB3 :: 3.253 HD2 :: 7.018 HE1 :: 7.828 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.721 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.42 A 0.06 C Shift Assignments>> C :: 177.618 CA :: 56.871 CB :: 31.017 CG :: 30.721 CE :: 17.285 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.294 HA :: 4.941 HB2 :: 2.191 HB3 :: 2.451 HG2 :: 1.997 HG3 :: 2.911 HE1 :: 2.014 HE2 :: 2.014 HE3 :: 2.014 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.959 Ave N Shift Values>> N :: 120.09(3.57) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 G 0.15 A 0.15 C 0.06 N 0.05 D 0.01 C Shift Assignments>> C :: 176.828 CA :: 48.487 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.243 HA2 :: 4.108 HA3 :: 4.033 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.459 Ave N Shift Values>> N :: 109.67(3.87) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.24 Q 0.21 R 0.14 M 0.02 E 0.01 I 0.01 C Shift Assignments>> C :: 178.935 CA :: 58.787 CB :: 28.050 CG :: 33.076 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.856 HA :: 4.187 HB2 :: 2.104 HB3 :: 2.400 HG2 :: 2.613 HG3 :: 2.711 HE21 :: 7.694 HE22 :: 6.752 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.180 NE2 :: 110.230 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.41 C Shift Assignments>> C :: 178.078 CA :: 58.060 CB :: 40.164 CG :: 28.067 CD1 :: 25.299 CD2 :: 24.103 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.950 HA :: 4.248 HB2 :: 1.243 HB3 :: 2.191 HG :: 1.334 HD11 :: 0.414 HD12 :: 0.414 HD13 :: 0.414 HD21 :: 0.633 HD22 :: 0.633 HD23 :: 0.633 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.455 Ave N Shift Values>> N :: 121.86(3.9) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.47 C Shift Assignments>> C :: 177.967 CA :: 58.690 CB :: 40.130 CG :: 26.671 CD1 :: 25.717 CD2 :: 23.678 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.300 HA :: 3.954 HB2 :: 1.326 HB3 :: 2.278 HG :: 2.267 HD11 :: 1.109 HD12 :: 1.109 HD13 :: 1.109 HD21 :: 1.045 HD22 :: 1.045 HD23 :: 1.045 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.527 Ave N Shift Values>> N :: 121.86(3.9) 1.H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.27 H 0.15 HN Overlap>> 1.V111 1.V111 1.V46 1.V46 C Shift Assignments>> C :: 176.764 CA :: 61.489 CB :: 30.864 CD2 :: 116.034 CE1 :: 137.843 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.220 HA :: 3.965 HB2 :: 3.342 HB3 :: 2.905 HD2 :: 6.731 HE1 :: 7.493 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.730 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.19 E 0.08 R 0.07 I 0.04 C Shift Assignments>> C :: 179.343 CA :: 58.531 CB :: 27.902 CG :: 34.283 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.404 HA :: 3.797 HB2 :: 2.107 HB3 :: 2.384 HG2 :: 2.694 HG3 :: 2.426 HE21 :: 7.132 HE22 :: 7.779 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.194 NE2 :: 113.949 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.38 R 0.16 G 0.05 C Shift Assignments>> C :: 179.085 CA :: 57.890 CB :: 43.064 CG :: 26.186 CD1 :: 26.941 CD2 :: 24.119 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.538 HA :: 3.922 HB2 :: 1.191 HB3 :: 2.084 HG :: 2.015 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 HD21 :: 0.762 HD22 :: 0.762 HD23 :: 0.762 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.459 Ave N Shift Values>> N :: 121.86(3.9) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.37 R 0.11 G 0.01 C Shift Assignments>> C :: 181.062 CA :: 57.580 CB :: 42.425 CG :: 27.110 CD1 :: 25.870 CD2 :: 25.075 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.978 HA :: 4.551 HB2 :: 1.541 HB3 :: 1.628 HG :: 1.521 HD11 :: 0.439 HD12 :: 0.439 HD13 :: 0.439 HD21 :: 0.555 HD22 :: 0.555 HD23 :: 0.555 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.946 Ave N Shift Values>> N :: 121.86(3.9) 1.C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 P 0.32 C 0.18 R 0.02 W 0.02 K 0.01 C Shift Assignments>> C :: 176.592 CA :: 62.260 CB :: 26.174 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.665 HA :: 3.988 HB2 :: 2.539 HB3 :: 2.539 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.321 Ave N Shift Values>> N :: 120.17(4.64) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 HN Overlap>> 1.R127 1.K157 1.R127 1.K157 C Shift Assignments>> C :: 177.387 CA :: 52.017 CB :: 18.966 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.805 HA :: 4.141 HB1 :: 1.198 HB2 :: 1.198 HB3 :: 1.198 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.231 Ave N Shift Values>> N :: 123.23(3.54) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.862 CA :: 44.611 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.316 HA2 :: 3.989 HA3 :: 3.707 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.918 Ave N Shift Values>> N :: 109.67(3.87) 1.H76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 C 0.34 H 0.3 C Shift Assignments>> C :: 174.722 CA :: 56.489 CB :: 31.498 CE1 :: 139.633 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.183 HA :: 4.572 HB2 :: 2.993 HB3 :: 2.559 HD2 :: 6.547 HE1 :: 7.642 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.467 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.33 L 0.06 C Shift Assignments>> C :: 173.819 CA :: 51.804 CB :: 47.160 CG :: 26.416 CD1 :: 27.125 CD2 :: 25.861 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.015 HA :: 4.681 HB2 :: 0.871 HB3 :: 1.390 HG :: 1.652 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.709 Ave N Shift Values>> N :: 121.86(3.9) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.629 CA :: 55.813 CB :: 64.812 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.075 HA :: 4.636 HB2 :: 4.379 HB3 :: 4.010 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.986 Ave N Shift Values>> N :: 116.28(3.52) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.51 C 0.47 C Shift Assignments>> C :: 175.722 CA :: 65.421 CB :: 66.795 CG2 :: 23.685 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.957 HA :: 3.474 HB :: 4.096 HG21 :: 1.195 HG22 :: 1.195 HG23 :: 1.195 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.441 Ave N Shift Values>> N :: 115.42(4.75) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.04 C 0.03 C Shift Assignments>> C :: 181.351 CA :: 55.425 CB :: 18.224 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.979 HA :: 4.192 HB1 :: 1.475 HB2 :: 1.475 HB3 :: 1.475 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.447 Ave N Shift Values>> N :: 123.23(3.54) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.22 K 0.2 E 0.18 M 0.03 I 0.03 R 0.01 C Shift Assignments>> C :: 177.623 CA :: 58.651 CB :: 29.462 CG :: 34.609 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.582 HA :: 3.900 HB2 :: 2.040 HB3 :: 2.192 HG2 :: 2.321 HG3 :: 2.776 HE21 :: 7.344 HE22 :: 6.502 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.449 NE2 :: 111.926 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 176.463 CA :: 61.647 CB :: 38.034 CD1 :: 131.765 CD2 :: 131.765 CE1 :: 117.456 CE2 :: 117.456 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.810 HA :: 4.142 HB2 :: 2.689 HB3 :: 2.962 HD1 :: 6.630 HD2 :: 6.630 HE1 :: 6.622 HE2 :: 6.622 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.962 Ave N Shift Values>> N :: 120.52(4.2) 1.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.24 Y 0.14 I 0.13 F 0.08 M 0.04 K 0.02 V 0.02 HN Overlap>> 1.N24 1.N24 C Shift Assignments>> C :: 177.709 CA :: 59.140 CB :: 36.484 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.597 HA :: 3.958 HB2 :: 2.689 HB3 :: 2.689 HD1 :: 6.908 HD2 :: 6.908 HE1 :: 6.782 HE2 :: 6.782 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.098 Ave N Shift Values>> N :: 120.52(4.2) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.21 K 0.16 Q 0.14 P 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 178.978 CA :: 59.316 CB :: 27.435 CG :: 32.738 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.029 HA :: 3.749 HB2 :: 2.084 HB3 :: 1.845 HG2 :: 1.889 HG3 :: 2.233 HE21 :: 6.474 HE22 :: 5.880 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.708 NE2 :: 108.726 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.09 P 0.04 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 174.098 CA :: 47.594 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.076 HA2 :: 3.750 HA3 :: 4.032 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.202 Ave N Shift Values>> N :: 109.67(3.87) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.37 R 0.01 C Shift Assignments>> C :: 180.050 CA :: 56.671 CB :: 42.111 CG :: 27.218 CD1 :: 23.548 CD2 :: 24.348 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.716 HA :: 4.012 HB2 :: 1.390 HB3 :: 1.606 HG :: 1.436 HD11 :: 0.578 HD12 :: 0.578 HD13 :: 0.578 HD21 :: 0.569 HD22 :: 0.569 HD23 :: 0.569 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.448 Ave N Shift Values>> N :: 121.86(3.9) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 Y 0.36 C Shift Assignments>> C :: 177.603 CA :: 59.607 CB :: 36.796 CD1 :: 131.320 CD2 :: 131.320 CE1 :: 116.961 CE2 :: 116.961 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.201 HA :: 4.227 HB2 :: 3.250 HB3 :: 3.339 HD1 :: 7.018 HD2 :: 7.018 HE1 :: 6.801 HE2 :: 6.801 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.048 Ave N Shift Values>> N :: 120.52(4.2) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.29 I 0.25 K 0.02 M 0.01 C Shift Assignments>> C :: 178.569 CA :: 59.628 CB :: 29.619 CG :: 37.121 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.497 HA :: 4.118 HB2 :: 2.194 HB3 :: 2.194 HG2 :: 2.707 HG3 :: 2.377 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.211 Ave N Shift Values>> N :: 120.67(3.48) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 HN Overlap>> 1.L110 1.L110 C Shift Assignments>> C :: 177.817 CA :: 61.032 CB :: 36.804 CG1 :: 27.399 CG2 :: 17.566 CD1 :: 10.741 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.302 HA :: 4.074 HB :: 2.146 HG12 :: 1.627 HG13 :: 1.358 HG21 :: 0.829 HG22 :: 0.829 HG23 :: 0.829 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.451 Ave N Shift Values>> N :: 121.46(4.28) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.42 R 0.06 C Shift Assignments>> C :: 178.612 CA :: 57.890 CB :: 41.705 CG :: 26.686 CD1 :: 26.647 CD2 :: 23.703 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.645 HA :: 3.920 HB2 :: 1.359 HB3 :: 1.930 HG :: 1.972 HD11 :: 1.090 HD12 :: 1.090 HD13 :: 1.090 HD21 :: 1.002 HD22 :: 1.002 HD23 :: 1.002 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.220 Ave N Shift Values>> N :: 121.86(3.9) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.33 I 0.2 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.724 CA :: 58.840 CB :: 29.257 CG :: 36.954 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.030 HA :: 3.991 HB2 :: 2.061 HB3 :: 2.061 HG2 :: 2.430 HG3 :: 2.276 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.460 Ave N Shift Values>> N :: 120.67(3.48) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.25 A 0.12 R 0.02 HN Overlap>> 1.K152 1.K152 C Shift Assignments>> C :: 178.032 CA :: 54.295 CB :: 41.814 CG :: 26.643 CD1 :: 22.438 CD2 :: 25.282 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.566 HA :: 4.593 HB2 :: 1.900 HB3 :: 1.803 HG :: 1.793 HD11 :: 0.891 HD12 :: 0.891 HD13 :: 0.891 HD21 :: 0.956 HD22 :: 0.956 HD23 :: 0.956 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.712 Ave N Shift Values>> N :: 121.86(3.9) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.37 C 0.07 I 0.05 V 0.03 L 0.01 C Shift Assignments>> C :: 178.270 CA :: 56.005 CB :: 19.157 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.560 HA :: 3.750 HB1 :: 1.183 HB2 :: 1.183 HB3 :: 1.183 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.218 Ave N Shift Values>> N :: 123.23(3.54) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.3 I 0.24 K 0.04 Q 0.01 HN Overlap>> 1.S13 1.S13 C Shift Assignments>> C :: 178.483 CA :: 59.627 CB :: 29.314 CG :: 36.794 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.764 HA :: 4.159 HB2 :: 2.142 HB3 :: 2.142 HG2 :: 2.302 HG3 :: 2.382 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.942 Ave N Shift Values>> N :: 120.67(3.48) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.19 L 0.18 Y 0.16 K 0.09 C 0.08 N 0.04 I 0.02 HN Overlap>> 1.R127 1.R127 C Shift Assignments>> C :: 178.689 CA :: 56.178 CB :: 40.714 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.686 HA :: 4.554 HB2 :: 2.683 HB3 :: 2.722 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.208 Ave N Shift Values>> N :: 120.65(3.86) 1.M96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.45 HN Overlap>> 1.K27 1.K27 C Shift Assignments>> C :: 176.979 CA :: 58.360 CB :: 33.995 CG :: 31.953 CE :: 16.642 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.086 HA :: 4.159 HB2 :: 1.959 HB3 :: 1.845 HG2 :: 2.623 HG3 :: 2.397 HE1 :: 1.836 HE2 :: 1.836 HE3 :: 1.836 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.452 Ave N Shift Values>> N :: 120.09(3.57) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 I 0.07 K 0.07 Q 0.04 M 0.04 C Shift Assignments>> C :: 177.018 CA :: 57.894 CB :: 29.752 CG :: 36.347 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.762 HA :: 3.858 HB2 :: 2.106 HB3 :: 2.002 HG2 :: 2.442 HG3 :: 2.342 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.939 Ave N Shift Values>> N :: 120.67(3.48) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 176.977 CA :: 63.182 CB :: 37.515 CG1 :: 28.348 CG2 :: 16.950 CD1 :: 12.435 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.082 HA :: 3.757 HB :: 1.893 HG12 :: 1.649 HG13 :: 1.274 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.704 Ave N Shift Values>> N :: 121.46(4.28) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.18 R 0.17 D 0.15 F 0.08 Y 0.05 C 0.05 N 0.01 C Shift Assignments>> C :: 176.377 CA :: 55.704 CB :: 42.429 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.308 HA :: 4.640 HB2 :: 2.719 HB3 :: 2.534 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.689 Ave N Shift Values>> N :: 120.65(3.86) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.46 A 0.02 HN Overlap>> 1.I16 1.I16 C Shift Assignments>> C :: 172.508 CA :: 58.050 CB :: 38.285 CG1 :: 25.878 CG2 :: 17.905 CD1 :: 14.036 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.412 HA :: 4.377 HB :: 1.747 HG12 :: 1.454 HG13 :: 0.938 HG21 :: 0.698 HG22 :: 0.698 HG23 :: 0.698 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.708 Ave N Shift Values>> N :: 121.46(4.28) 1.P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 178.440 CA :: 64.452 CB :: 31.341 CG :: 27.261 CD :: 49.910 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.412 HB2 :: 1.521 HB3 :: 2.224 HG2 :: 1.908 HG3 :: 1.826 HD2 :: 3.357 HD3 :: 3.662 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 139.017 Ave N Shift Values>> N :: 134.16(6.62) 1.H102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.34 C 0.24 C Shift Assignments>> C :: 174.755 CA :: 55.094 CB :: 28.487 CD2 :: 119.000 CE1 :: 138.779 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.797 HA :: 4.729 HB2 :: 2.420 HB3 :: 2.841 HD2 :: 6.821 HE1 :: 7.685 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.214 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.91 V 0.05 I 0.03 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 173.914 CA :: 65.405 CB :: 29.620 CG1 :: 17.109 CG2 :: 21.338 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.565 HA :: 3.292 HB :: 2.170 HG11 :: -0.212(S) HG12 :: -0.212(S) HG13 :: -0.212(S) HG21 :: 0.569 HG22 :: 0.569 HG23 :: 0.569 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.448 Ave N Shift Values>> N :: 121.14(4.54) 1.W104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 HN Overlap>> 1.A15 1.A15 C Shift Assignments>> C :: 178.333 CA :: 58.700 CB :: 28.822 CD1 :: 127.847 CE3 :: 120.147 CZ2 :: 113.310 CZ3 :: 120.332 CH2 :: 123.866 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.066 HA :: 4.481 HB2 :: 3.259 HB3 :: 3.193 HD1 :: 7.454 HE1 :: 10.922 HE3 :: 7.315 HZ2 :: 7.252 HZ3 :: 6.753 HH2 :: 6.936 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.470 NE1 :: 130.681 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.46 HN Overlap>> 1.R56 1.R56 C Shift Assignments>> C :: 178.005 CA :: 57.740 CB :: 40.586 CG :: 27.434 CD1 :: 25.877 CD2 :: 22.583 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.228 HA :: 4.088 HB2 :: 1.504 HB3 :: 1.868 HG :: 1.577 HD11 :: 0.902 HD12 :: 0.902 HD13 :: 0.902 HD21 :: 1.056 HD22 :: 1.056 HD23 :: 1.056 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.693 Ave N Shift Values>> N :: 121.86(3.9) 1.Y106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 F 0.25 Y 0.22 C Shift Assignments>> C :: 179.572 CA :: 56.970 CB :: 35.833 CD1 :: 131.617 CD2 :: 131.617 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.981 HA :: 4.590 HB2 :: 3.057 HB3 :: 3.057 HD1 :: 6.712 HD2 :: 6.712 HE1 :: 6.812 HE2 :: 6.812 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.957 Ave N Shift Values>> N :: 120.52(4.2) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.38 R 0.13 G 0.02 C Shift Assignments>> C :: 178.820 CA :: 57.906 CB :: 42.584 CG :: 26.798 CD1 :: 26.356 CD2 :: 22.900 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.662 HA :: 4.057 HB2 :: 1.174 HB3 :: 2.029 HG :: 1.756 HD11 :: 0.668 HD12 :: 0.668 HD13 :: 0.668 HD21 :: 0.716 HD22 :: 0.716 HD23 :: 0.716 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.202 Ave N Shift Values>> N :: 121.86(3.9) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 M 0.34 C 0.08 V 0.04 I 0.03 L 0.03 T 0.01 C Shift Assignments>> C :: 180.705 CA :: 55.873 CB :: 19.551 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.295 HA :: 3.917 HB1 :: 1.618 HB2 :: 1.618 HB3 :: 1.618 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.057 Ave N Shift Values>> N :: 123.23(3.54) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.32 I 0.13 M 0.03 K 0.01 C Shift Assignments>> C :: 178.211 CA :: 59.160 CB :: 30.490 CG :: 37.261 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.942 HA :: 3.964 HB2 :: 1.885 HB3 :: 2.491 HG2 :: 2.258 HG3 :: 2.775 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.215 Ave N Shift Values>> N :: 120.67(3.48) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 G 0.32 R 0.17 L 0.1 HN Overlap>> 1.I89 1.I89 C Shift Assignments>> C :: 179.150 CA :: 57.288 CB :: 44.714 CG :: 28.679 CD1 :: 26.810 CD2 :: 25.094 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.258 HA :: 4.205 HB2 :: 2.144 HB3 :: 1.347 HG :: 1.577 HD11 :: 0.956 HD12 :: 0.956 HD13 :: 0.956 HD21 :: 1.041 HD22 :: 1.041 HD23 :: 1.041 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.433 Ave N Shift Values>> N :: 121.86(3.9) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.H69 1.H69 C Shift Assignments>> C :: 176.269 CA :: 64.683 CB :: 33.531 CG1 :: 22.046 CG2 :: 22.431 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.299 HA :: 4.016 HB :: 2.067 HG11 :: 1.120 HG12 :: 1.120 HG13 :: 1.120 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.725 Ave N Shift Values>> N :: 121.14(4.54) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 T 0.25 C Shift Assignments>> C :: 176.341 CA :: 70.397 CB :: 66.891 CG2 :: 22.584 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.386 HA :: 3.916 HB :: 4.267 HG1 :: 4.994 HG21 :: 1.248 HG22 :: 1.248 HG23 :: 1.248 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.698 Ave N Shift Values>> N :: 115.42(4.75) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 177.215 CA :: 65.418 CB :: 31.686 CG :: 28.406 CD :: 51.200 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.314 HB2 :: 1.252 HB3 :: 2.226 HG2 :: 2.080 HG3 :: 2.108 HD2 :: 3.773 HD3 :: 3.358 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 135.782 Ave N Shift Values>> N :: 134.16(6.62) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.2 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> C :: 175.703 CA :: 61.015 CB :: 38.469 CG1 :: 30.175 CG2 :: 20.704 CD1 :: 13.137 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.398 HA :: 4.085 HB :: 2.193 HG12 :: 1.165 HG13 :: 1.445 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 HD11 :: 0.540 HD12 :: 0.540 HD13 :: 0.540 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.980 Ave N Shift Values>> N :: 121.46(4.28) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.33 R 0.23 K 0.01 G 0.01 C Shift Assignments>> C :: 177.838 CA :: 54.776 CB :: 42.129 CG :: 27.011 CD1 :: 24.274 CD2 :: 27.585 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.604 HA :: 4.505 HB2 :: 1.666 HB3 :: 1.831 HG :: 1.642 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 HD21 :: 1.041 HD22 :: 1.041 HD23 :: 1.041 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.590 Ave N Shift Values>> N :: 121.86(3.9) 1.Q116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 E 0.27 M 0.21 Q 0.16 K 0.05 C Shift Assignments>> C :: 175.044 CA :: 56.005 CB :: 30.855 CG :: 35.214 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.053 HA :: 4.003 HB2 :: 1.107(S) HB3 :: 1.867 HG2 :: 2.062 HG3 :: 2.407 HE21 :: 7.296 HE22 :: 7.247 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.201 NE2 :: 111.568 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 K 0.11 I 0.09 Q 0.08 M 0.02 C Shift Assignments>> C :: 177.991 CA :: 58.398 CB :: 29.314 CG :: 35.868 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.519 HA :: 4.030 HB2 :: 1.916 HB3 :: 1.969 HG2 :: 2.279 HG3 :: 2.279 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.717 Ave N Shift Values>> N :: 120.67(3.48) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.862 CA :: 45.076 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.966 HA2 :: 4.419 HA3 :: 3.731 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.460 Ave N Shift Values>> N :: 109.67(3.87) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.29 G 0.08 D 0.06 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 173.754 CA :: 43.472 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.358 HA2 :: 4.158 HA3 :: 4.207 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.416 Ave N Shift Values>> N :: 109.67(3.87) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 174.325 CA :: 59.478 CB :: 34.143 CG1 :: 21.818 CG2 :: 21.738 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.752 HA :: 4.400 HB :: 1.778 HG11 :: 1.194 HG12 :: 1.194 HG13 :: 1.194 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.454 Ave N Shift Values>> N :: 121.14(4.54) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.6 C 0.39 C Shift Assignments>> C :: 176.872 CA :: 62.445 CB :: 32.810 CG :: 27.817 CD :: 51.190 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.358 HB2 :: 2.431 HB3 :: 1.969 HG2 :: 2.038 HG3 :: 2.038 HD2 :: 3.616 HD3 :: 3.900 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 138.363 Ave N Shift Values>> N :: 134.16(6.62) 1.M122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 M 0.29 I 0.04 HN Overlap>> 1.L9 1.L9 C Shift Assignments>> C :: 176.891 CA :: 59.980 CB :: 33.966 CG :: 30.874 CE :: 17.561 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.802 HA :: 3.246 HB2 :: 1.353 HB3 :: 1.892 HG2 :: 0.927(S) HG3 :: 1.063(S) HE1 :: 1.860 HE2 :: 1.860 HE3 :: 1.860 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.700 Ave N Shift Values>> N :: 120.09(3.57) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.1 P 0.06 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 174.714 CA :: 47.684 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.771 HA2 :: 3.703 HA3 :: 3.292 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.663 Ave N Shift Values>> N :: 109.67(3.87) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.09 K 0.06 Q 0.03 M 0.03 C Shift Assignments>> C :: 177.838 CA :: 58.525 CB :: 29.882 CG :: 36.326 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.848 HA :: 4.113 HB2 :: 1.996 HB3 :: 1.996 HG2 :: 2.257 HG3 :: 2.333 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.129 Ave N Shift Values>> N :: 120.67(3.48) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.45 R 0.02 C Shift Assignments>> C :: 179.536 CA :: 58.041 CB :: 41.480 CG :: 25.900 CD1 :: 26.322 CD2 :: 24.122 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.409 HA :: 4.321 HB2 :: 1.775 HB3 :: 1.597 HG :: 1.627 HD11 :: 1.074 HD12 :: 1.074 HD13 :: 1.074 HD21 :: 1.282 HD22 :: 1.282 HD23 :: 1.282 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.453 Ave N Shift Values>> N :: 121.86(3.9) 1.F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 F 0.05 C Shift Assignments>> C :: 178.204 CA :: 58.360 CB :: 36.004 CD1 :: 129.614 CD2 :: 129.614 CE1 :: 132.083 CE2 :: 132.083 CZ :: 127.351 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.894 HA :: 4.185 HB2 :: 2.646 HB3 :: 3.244 HD1 :: 6.880 HD2 :: 6.880 HE1 :: 7.359 HE2 :: 7.359 HZ :: 7.047 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.429 Ave N Shift Values>> N :: 120.45(4.18) 1.R127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 K 0.25 G 0.04 R 0.02 HN Overlap>> 1.A74 1.D95 1.A74 1.D95 C Shift Assignments>> C :: 177.688 CA :: 60.164 CB :: 29.199 CG :: 30.615 CD :: 42.747 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.792 HA :: 4.015 HB2 :: 1.863 HB3 :: 1.863 HG2 :: 1.539 HG3 :: 1.539 HD2 :: 2.921 HD3 :: 3.098 HE :: 9.402 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.203 NE :: 89.701 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E128 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.3 E 0.21 Q 0.2 K 0.2 I 0.04 R 0.01 M 0.01 C Shift Assignments>> C :: 182.202 CA :: 58.230 CB :: 28.821 CG :: 34.932 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.442 HA :: 4.332 HB2 :: 1.009(S) HB3 :: 1.577 HG2 :: 1.968 HG3 :: 2.206 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.210 Ave N Shift Values>> N :: 120.67(3.48) 1.I129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 173.765 CA :: 64.222 CB :: 37.707 CG1 :: 27.276 CG2 :: 18.508 CD1 :: 14.933 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.215 HA :: 4.253 HB :: 2.191 HG12 :: 1.437 HG13 :: 1.780 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 HD11 :: 0.934 HD12 :: 0.934 HD13 :: 0.934 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.387 Ave N Shift Values>> N :: 121.46(4.28) 1.T130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 C Shift Assignments>> C :: 176.785 CA :: 61.320 CB :: 69.891 CG2 :: 22.433 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.746 HA :: 4.154 HB :: 4.551 HG1 :: 5.224 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 100.120 Ave N Shift Values>> N :: 115.42(4.75) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 P 0.36 R 0.08 K 0.02 C Shift Assignments>> C :: 176.469 CA :: 62.527 CB :: 29.950 CG :: 26.112 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.359 HA :: 4.119 HB2 :: 1.955 HB3 :: 1.847 HG2 :: 1.357 HG3 :: 1.839 HD2 :: 1.720 HD3 :: 1.720 HE2 :: 2.861 HE3 :: 2.961 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.434 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.764 CA :: 64.350 CB :: 31.020 CG :: 28.021 CD :: 49.437 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.467 HB2 :: 2.084 HB3 :: 1.446 HG2 :: 1.453 HG3 :: 1.518 HD2 :: 3.030 HD3 :: 3.584 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 130.879 Ave N Shift Values>> N :: 134.16(6.62) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.27 R 0.21 A 0.07 G 0.01 C Shift Assignments>> C :: 178.935 CA :: 54.507 CB :: 42.306 CG :: 27.365 CD1 :: 27.432 CD2 :: 22.737 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.947 HA :: 4.312 HB2 :: 1.108 HB3 :: 1.108 HG :: 1.631 HD11 :: 0.962 HD12 :: 0.962 HD13 :: 0.962 HD21 :: 0.991 HD22 :: 0.991 HD23 :: 0.991 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 112.285 Ave N Shift Values>> N :: 121.86(3.9) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 G 0.2 R 0.11 C Shift Assignments>> C :: 176.854 CA :: 61.203 CB :: 27.773 CG :: 28.699 CD :: 43.511 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.088 HA :: 4.413 HB2 :: 2.072 HB3 :: 2.033 HG2 :: 1.641 HG3 :: 1.896 HD2 :: 3.317 HD3 :: 3.317 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.197 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 176.764 CA :: 65.236 CB :: 30.978 CG :: 27.803 CD :: 50.854 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.477 HB2 :: 1.840 HB3 :: 2.388 HG2 :: 1.986 HG3 :: 2.031 HD2 :: 3.734 HD3 :: 3.662 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 137.550 Ave N Shift Values>> N :: 134.16(6.62) 1.L136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 A 0.31 C 0.23 R 0.09 G 0.04 C Shift Assignments>> C :: 177.580 CA :: 53.684 CB :: 42.700 CG :: 26.823 CD1 :: 21.685 CD2 :: 25.872 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.629 HA :: 4.475 HB2 :: 1.796 HB3 :: 1.693 HG :: 1.780 HD11 :: 0.932 HD12 :: 0.932 HD13 :: 0.932 HD21 :: 1.046 HD22 :: 1.046 HD23 :: 1.046 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 112.835 Ave N Shift Values>> N :: 121.86(3.9) 1.G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.140 CA :: 46.005 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.043 HA2 :: 4.155 HA3 :: 3.989 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.685 Ave N Shift Values>> N :: 109.67(3.87) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.35 R 0.14 G 0.01 A 0.01 C Shift Assignments>> C :: 175.818 CA :: 53.846 CB :: 34.040 CG :: 24.350 CD :: 27.735 CE :: 42.128 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.218 HA :: 4.574 HB2 :: 1.284 HB3 :: 1.905 HG2 :: 1.418 HG3 :: 1.284 HD2 :: 1.680 HD3 :: 1.533 HE2 :: 3.027 HE3 :: 3.027 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.206 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.35 I 0.05 C 0.03 C Shift Assignments>> C :: 178.697 CA :: 55.618 CB :: 18.482 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.951 HA :: 3.684 HB1 :: 1.565 HB2 :: 1.565 HB3 :: 1.565 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.942 Ave N Shift Values>> N :: 123.23(3.54) 1.A140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 177.903 CA :: 55.253 CB :: 17.794 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.743 HA :: 3.881 HB1 :: 1.415 HB2 :: 1.415 HB3 :: 1.415 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.528 Ave N Shift Values>> N :: 123.23(3.54) 1.S141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.237 CA :: 62.093 CB :: 60.566 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.140 HA :: 3.755 HB2 :: 2.550(S) HB3 :: 2.478(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.981 Ave N Shift Values>> N :: 116.28(3.52) 1.L142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.37 R 0.17 K 0.01 C Shift Assignments>> C :: 178.075 CA :: 56.682 CB :: 41.962 CG :: 27.482 CD1 :: 27.064 CD2 :: 23.641 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.289 HA :: 4.397 HB2 :: 1.536 HB3 :: 1.536 HG :: 1.396 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 1.191 HD22 :: 1.191 HD23 :: 1.191 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.204 Ave N Shift Values>> N :: 121.86(3.9) 1.L143 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 A 0.08 L 0.02 C Shift Assignments>> C :: 178.849 CA :: 57.993 CB :: 41.025 CG :: 25.123 CD1 :: 19.642 CD2 :: 23.647 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.455 HA :: 3.401 HB2 :: 1.650 HB3 :: 0.905 HG :: 1.258 HD11 :: -0.525(S) HD12 :: -0.525(S) HD13 :: -0.525(S) HD21 :: -0.365(S) HD22 :: -0.365(S) HD23 :: -0.365(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.671 Ave N Shift Values>> N :: 121.86(3.9) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.4 R 0.03 C Shift Assignments>> C :: 180.740 CA :: 58.188 CB :: 42.080 CG :: 27.098 CD1 :: 24.925 CD2 :: 23.534 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.005 HA :: 4.031 HB2 :: 1.367 HB3 :: 1.825 HG :: 1.868 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.680 HD22 :: 0.680 HD23 :: 0.680 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.185 Ave N Shift Values>> N :: 121.86(3.9) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.26 E 0.08 M 0.06 R 0.02 C Shift Assignments>> C :: 180.009 CA :: 56.821 CB :: 29.467 CG :: 33.833 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.913 HA :: 4.596 HB2 :: 1.987 HB3 :: 1.987 HG2 :: 2.191 HG3 :: 2.538 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.923 Ave N Shift Values>> N :: 120.67(3.48) 1.I146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> C :: 177.709 CA :: 66.050 CB :: 38.452 CG1 :: 28.621 CG2 :: 16.492 CD1 :: 14.454 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.736 HA :: 3.770 HB :: 1.804 HG12 :: 1.893 HG13 :: 0.950 HG21 :: 1.198 HG22 :: 1.198 HG23 :: 1.198 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.261 Ave N Shift Values>> N :: 121.46(4.28) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.38 HN Overlap>> 1.C151 1.C151 C Shift Assignments>> C :: 179.579 CA :: 58.612 CB :: 40.489 CG :: 27.140 CD1 :: 26.334 CD2 :: 22.438 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.913 HA :: 4.063 HB2 :: 1.925 HB3 :: 2.060 HG :: 2.067 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 1.125 HD22 :: 1.125 HD23 :: 1.125 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.492 Ave N Shift Values>> N :: 121.86(3.9) 1.G148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 177.193 CA :: 47.255 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.011 HA2 :: 3.859 HA3 :: 4.055 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.983 Ave N Shift Values>> N :: 109.67(3.87) 1.L149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.38 R 0.07 C Shift Assignments>> C :: 181.253 CA :: 58.184 CB :: 41.622 CG :: 27.065 CD1 :: 22.909 CD2 :: 26.186 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.692 HA :: 4.167 HB2 :: 1.561 HB3 :: 2.215 HG :: 1.916 HD11 :: 0.965 HD12 :: 0.965 HD13 :: 0.965 HD21 :: 0.963 HD22 :: 0.963 HD23 :: 0.963 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.783 Ave N Shift Values>> N :: 121.86(3.9) 1.L150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.27 R 0.19 G 0.03 A 0.01 C Shift Assignments>> C :: 179.720 CA :: 57.273 CB :: 42.714 CG :: 26.328 CD1 :: 22.435 CD2 :: 26.819 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.803 HA :: 4.184 HB2 :: 2.042 HB3 :: 1.552 HG :: 2.030 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.964 HD22 :: 0.964 HD23 :: 0.964 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.465 Ave N Shift Values>> N :: 121.86(3.9) 1.C151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 I 0.36 C 0.09 HN Overlap>> 1.L147 1.L147 C Shift Assignments>> C :: 177.711 CA :: 64.323 CB :: 26.319 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.019 HA :: 3.572 HB2 :: 2.641 HB3 :: 3.105 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.526 Ave N Shift Values>> N :: 120.17(4.64) 1.K152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.46 R 0.05 HN Overlap>> 1.L92 1.L92 C Shift Assignments>> C :: 177.279 CA :: 59.158 CB :: 32.282 CG :: 25.262 CD :: 29.171 CE :: 41.656 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.485 HA :: 4.048 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 1.457 HG3 :: 1.457 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 2.968 HE3 :: 2.968 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.727 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.033 CA :: 59.457 CB :: 63.609 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.332 HA :: 4.507 HB2 :: 3.892 HB3 :: 3.851 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.767 Ave N Shift Values>> N :: 116.28(3.52) 1.M154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.44 A 0.07 C Shift Assignments>> C :: 177.194 CA :: 56.684 CB :: 35.461 CG :: 31.919 CE :: 17.478 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.585 HA :: 4.619 HB2 :: 2.015 HB3 :: 2.015 HG2 :: 2.535 HG3 :: 2.602 HE1 :: 2.032 HE2 :: 2.032 HE3 :: 2.032 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.693 Ave N Shift Values>> N :: 120.09(3.57) 1.G155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.3 G 0.17 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 177.137 CA :: 43.809 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.778 HA2 :: 4.378 HA3 :: 4.180 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.652 Ave N Shift Values>> N :: 109.67(3.87) 1.P156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.236 CA :: 64.782 CB :: 31.522 CG :: 27.287 CD :: 50.294 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.747 HB2 :: 1.595 HB3 :: 1.595 HG2 :: 1.848 HG3 :: 1.965 HD2 :: 3.816 HD3 :: 3.425 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 132.942 Ave N Shift Values>> N :: 134.16(6.62) 1.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.34 R 0.17 HN Overlap>> 1.T161 1.A74 1.T161 1.A74 C Shift Assignments>> C :: 180.375 CA :: 59.526 CB :: 31.631 CG :: 24.932 CD :: 27.706 CE :: 41.731 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.901 HA :: 4.115 HB2 :: 1.790 HB3 :: 1.867 HG2 :: 1.412 HG3 :: 1.412 HD2 :: 1.508 HD3 :: 1.508 HE2 :: 3.013 HE3 :: 3.013 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.235 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.13 C Shift Assignments>> C :: 178.642 CA :: 58.691 CB :: 31.793 CG :: 25.613 CD :: 28.660 CE :: 41.809 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.460 HA :: 4.119 HB2 :: 1.794 HB3 :: 1.794 HG2 :: 1.484 HG3 :: 1.510 HD2 :: 1.829 HD3 :: 1.829 HE2 :: 2.966 HE3 :: 3.013 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.240 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.31 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 178.186 CA :: 67.595 CB :: 31.000 CG1 :: 24.891 CG2 :: 23.996 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.702 HA :: 3.491 HB :: 1.907 HG11 :: 1.006 HG12 :: 1.006 HG13 :: 1.006 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.170 Ave N Shift Values>> N :: 121.14(4.54) 1.G160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 P 0.22 A 0.1 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 175.613 CA :: 48.035 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.826 HA2 :: 3.747 HA3 :: 4.315 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.945 Ave N Shift Values>> N :: 109.67(3.87) 1.T161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.K157 1.K157 C Shift Assignments>> C :: 176.009 CA :: 67.091 CB :: 68.447 CG2 :: 21.466 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.882 HA :: 4.043 HB :: 4.445 HG21 :: 1.286 HG22 :: 1.286 HG23 :: 1.286 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.317 Ave N Shift Values>> N :: 115.42(4.75) 1.L162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.36 R 0.09 G 0.01 C Shift Assignments>> C :: 179.577 CA :: 58.206 CB :: 42.266 CG :: 26.630 CD1 :: 22.442 CD2 :: 25.997 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.111 HA :: 4.042 HB2 :: 1.521 HB3 :: 2.083 HG :: 1.911 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.733 Ave N Shift Values>> N :: 121.86(3.9) 1.W163 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.82 W 0.17 C Shift Assignments>> C :: 177.362 CA :: 60.882 CB :: 28.203 CD1 :: 127.586 CE3 :: 119.714 CZ2 :: 111.665 CZ3 :: 119.445 CH2 :: 122.968 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.369 HA :: 4.033 HB2 :: 3.624 HB3 :: 3.102 HD1 :: 7.117 HE1 :: 9.365 HE3 :: 7.443 HZ2 :: 5.605(S) HZ3 :: 6.464 HH2 :: 4.963(S) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.786 NE1 :: 130.971 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.33 K 0.13 G 0.05 C Shift Assignments>> C :: 182.393 CA :: 59.312 CB :: 30.700 CG :: 28.535 CD :: 43.198 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.509 HA :: 4.421 HB2 :: 1.933 HB3 :: 2.151 HG2 :: 1.738 HG3 :: 1.738 HD2 :: 3.205 HD3 :: 3.537 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.982 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.3 I 0.25 K 0.03 C Shift Assignments>> C :: 178.224 CA :: 59.076 CB :: 29.147 CG :: 37.100 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.083 HA :: 4.033 HB2 :: 2.054 HB3 :: 2.168 HG2 :: 2.287 HG3 :: 2.565 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.429 Ave N Shift Values>> N :: 120.67(3.48) 1.A166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 177.666 CA :: 51.832 CB :: 19.143 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.441 HA :: 4.270 HB1 :: 1.265 HB2 :: 1.265 HB3 :: 1.265 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.208 Ave N Shift Values>> N :: 123.23(3.54) 1.G167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.679 CA :: 45.530 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.948 HA2 :: 3.752 HA3 :: 3.783 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.925 Ave N Shift Values>> N :: 109.67(3.87) 1.L168 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.65 C 0.3 A 0.02 C Shift Assignments>> C :: 175.581 CA :: 54.581 CB :: 41.014 CG :: 26.136 CD1 :: 23.686 CD2 :: 26.305 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.578 HA :: 3.758 HB2 :: -0.323(S) HB3 :: -0.666(S) HG :: 0.892 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 HD21 :: 0.109 HD22 :: 0.109 HD23 :: 0.109 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.894 Ave N Shift Values>> N :: 121.86(3.9) 1.S169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.011 CA :: 55.552 CB :: 65.090 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.336 HA :: 4.990 HB2 :: 4.032 HB3 :: 3.648 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.011 Ave N Shift Values>> N :: 116.28(3.52) 1.W170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 178.224 CA :: 61.034 CB :: 29.003 CD1 :: 127.057 CE3 :: 119.790 CZ2 :: 114.672 CZ3 :: 119.850 CH2 :: 122.621 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.784 HA :: 4.707 HB2 :: 3.101 HB3 :: 3.312 HD1 :: 7.277 HE1 :: 9.897 HE3 :: 7.493 HZ2 :: 6.536 HZ3 :: 6.745 HH2 :: 6.683 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.952 NE1 :: 128.457 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.45 R 0.09 C Shift Assignments>> C :: 178.010 CA :: 58.319 CB :: 32.190 CG :: 24.938 CD :: 28.998 CE :: 41.731 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.332 HA :: 4.033 HB2 :: 1.796 HB3 :: 1.760 HG2 :: 1.408 HG3 :: 1.408 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.986 HE3 :: 2.986 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.582 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E172 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 E 0.35 I 0.16 K 0.03 M 0.01 C Shift Assignments>> C :: 176.742 CA :: 57.743 CB :: 29.356 CG :: 37.419 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.277 HA :: 3.776 HB2 :: 0.784(S) HB3 :: 1.173(S) HG2 :: 1.670 HG3 :: 1.821 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 113.980 Ave N Shift Values>> N :: 120.67(3.48) 1.F173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 C 0.2 G 0.01 C Shift Assignments>> C :: 174.034 CA :: 56.943 CB :: 42.114 CD1 :: 131.353 CD2 :: 131.353 CE1 :: 131.282 CE2 :: 131.282 CZ :: 128.760 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.215 HA :: 4.725 HB2 :: 3.317 HB3 :: 2.711 HD1 :: 6.887 HD2 :: 6.887 HE1 :: 6.794 HE2 :: 6.794 HZ :: 6.685 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 113.209 Ave N Shift Values>> N :: 120.45(4.18) 1.L174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.2 C 0.15 G 0.01 C Shift Assignments>> C :: 174.356 CA :: 52.124 CB :: 41.733 CG :: 26.201 CD1 :: 21.188 CD2 :: 25.092 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.299 HA :: 4.684 HB2 :: 1.466 HB3 :: 1.190 HG :: 1.718 HD11 :: 0.047 HD12 :: 0.047 HD13 :: 0.047 HD21 :: 0.111 HD22 :: 0.111 HD23 :: 0.111 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.450 Ave N Shift Values>> N :: 121.86(3.9) 1.P175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 176.438 CA :: 62.569 CB :: 32.133 CG :: 27.846 CD :: 50.388 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.375 HB2 :: 1.820 HB3 :: 2.360 HG2 :: 1.986 HG3 :: 2.104 HD2 :: 3.554 HD3 :: 3.707 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 134.757 Ave N Shift Values>> N :: 134.16(6.62) 1.E176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 K 0.12 Q 0.09 I 0.08 M 0.02 C Shift Assignments>> C :: 177.820 CA :: 58.222 CB :: 29.296 CG :: 35.838 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.566 HA :: 4.012 HB2 :: 1.927 HB3 :: 1.974 HG2 :: 2.278 HG3 :: 2.278 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.746 Ave N Shift Values>> N :: 120.67(3.48) 1.G177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 HN Overlap>> 1.S38 1.S38 C Shift Assignments>> C :: 174.378 CA :: 44.788 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.790 HA2 :: 4.142 HA3 :: 3.690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.460 Ave N Shift Values>> N :: 109.67(3.87) 1.Q178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 R 0.09 E 0.04 M 0.03 C Shift Assignments>> C :: 175.365 CA :: 55.632 CB :: 28.355 CG :: 33.713 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.533 HA :: 4.088 HB2 :: 1.758 HB3 :: 1.954 HG2 :: 2.128 HG3 :: 2.128 HE21 :: 7.667 HE22 :: 6.937 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.164 NE2 :: 112.226 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.13 F 0.08 N 0.08 Y 0.05 C 0.05 R 0.03 C Shift Assignments>> C :: 177.105 CA :: 54.145 CB :: 41.515 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.565 HA :: 4.543 HB2 :: 2.654 HB3 :: 2.798 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.776 Ave N Shift Values>> N :: 120.65(3.86) 1.I180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 177.227 CA :: 64.625 CB :: 37.554 CG1 :: 28.846 CG2 :: 18.106 CD1 :: 12.916 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.746 HA :: 3.491 HB :: 1.906 HG12 :: 1.186 HG13 :: 1.735 HG21 :: 1.020 HG22 :: 1.020 HG23 :: 1.020 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.707 Ave N Shift Values>> N :: 121.46(4.28) 1.G181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 177.048 CA :: 47.078 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.262 HA2 :: 3.634 HA3 :: 3.888 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.447 Ave N Shift Values>> N :: 109.67(3.87) 1.A182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.42 C 0.01 I 0.01 C Shift Assignments>> C :: 179.715 CA :: 54.285 CB :: 18.052 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.189 HA :: 4.099 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.271 Ave N Shift Values>> N :: 123.23(3.54) 1.F183 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 176.500 CA :: 61.033 CB :: 38.975 CD1 :: 131.597 CD2 :: 131.597 CE1 :: 130.820 CE2 :: 131.597 CZ :: 129.100 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.553 HA :: 4.096 HB2 :: 2.957 HB3 :: 2.957 HD1 :: 6.540 HD2 :: 6.540 HE1 :: 5.852(S) HE2 :: 5.852(S) HZ :: 6.295 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.942 Ave N Shift Values>> N :: 120.45(4.18) 1.V184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.S13 1.S13 C Shift Assignments>> C :: 177.602 CA :: 64.773 CB :: 30.702 CG1 :: 21.196 CG2 :: 21.647 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.550 HA :: 2.912 HB :: 1.738 HG11 :: 0.586 HG12 :: 0.586 HG13 :: 0.586 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.959 Ave N Shift Values>> N :: 121.14(4.54) 1.A185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.32 C 0.01 C Shift Assignments>> C :: 180.833 CA :: 53.782 CB :: 18.221 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.273 HA :: 4.141 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.705 Ave N Shift Values>> N :: 123.23(3.54) 1.E186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.1 K 0.09 Q 0.06 M 0.02 C Shift Assignments>> C :: 178.436 CA :: 58.782 CB :: 29.514 CG :: 36.003 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.113 HA :: 3.835 HB2 :: 1.827 HB3 :: 1.998 HG2 :: 2.060 HG3 :: 2.203 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.709 Ave N Shift Values>> N :: 120.67(3.48) 1.Q187 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 C 0.32 K 0.17 Q 0.04 M 0.01 P 0.01 C Shift Assignments>> C :: 174.270 CA :: 53.477 CB :: 26.479 CG :: 31.643 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.706 HA :: 4.053 HB2 :: 1.829 HB3 :: 0.678(S) HG2 :: 1.588 HG3 :: 1.161(S) HE21 :: 6.943 HE22 :: 6.541 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 112.471 NE2 :: 111.442 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.27 L 0.23 K 0.07 G 0.01 C Shift Assignments>> C :: 177.378 CA :: 56.519 CB :: 28.028 CG :: 24.296 CD :: 27.840 CE :: 42.168 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.336 HA :: 4.180 HB2 :: 1.908 HB3 :: 2.061 HG2 :: 1.278 HG3 :: 1.364 HD2 :: 1.653 HD3 :: 1.718 HE2 :: 2.983 HE3 :: 2.922 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.262 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.1 A 0.03 C Shift Assignments>> C :: 177.360 CA :: 58.208 CB :: 30.020 CG1 :: 20.948 CG2 :: 18.702 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.622 HA :: 4.633 HB :: 1.761 HG11 :: 0.635 HG12 :: 0.635 HG13 :: 0.635 HG21 :: 0.218 HG22 :: 0.218 HG23 :: 0.218 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 108.192 Ave N Shift Values>> N :: 121.14(4.54) 1.E190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 C 0.36 E 0.14 K 0.02 C Shift Assignments>> C :: 176.520 CA :: 60.541 CB :: 27.886 CG :: 36.647 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.817 HA :: 3.487 HB2 :: 1.946 HB3 :: 2.005 HG2 :: 2.319 HG3 :: 2.064 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.477 Ave N Shift Values>> N :: 120.67(3.48) 1.Y191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.47 C Shift Assignments>> C :: 175.574 CA :: 57.579 CB :: 36.485 CD1 :: 133.175 CD2 :: 133.175 CE1 :: 118.037 CE2 :: 118.037 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.900 HA :: 4.486 HB2 :: 2.884 HB3 :: 3.199 HD1 :: 6.887 HD2 :: 6.887 HE1 :: 6.677 HE2 :: 6.677 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.695 Ave N Shift Values>> N :: 120.52(4.2) 1.T192 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.420 CA :: 62.414 CB :: 69.768 CG2 :: 22.744 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.245 HA :: 3.882 HB :: 2.899(S) HG1 :: 4.421 HG21 :: 0.136(S) HG22 :: 0.136(S) HG23 :: 0.136(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.458 Ave N Shift Values>> N :: 115.42(4.75) 1.L193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.37 R 0.11 G 0.03 A 0.01 C Shift Assignments>> C :: 182.667 CA :: 56.870 CB :: 42.744 CG :: 27.271 CD1 :: 22.918 CD2 :: 25.402 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.218 HA :: 4.269 HB2 :: 1.617 HB3 :: 1.770 HG :: 1.616 HD11 :: 0.977 HD12 :: 0.977 HD13 :: 0.977 HD21 :: 0.969 HD22 :: 0.969 HD23 :: 0.969 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.716 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 181 #Clerical: 0 #Suspicious: 12 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 192 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 193 #Suspicious: 0 C Shift Results: #Consistent: 889 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1422 #Duplicate: 0 #Unknown: 0 #Suspicious: 29 #Anomalous: 0 N Shift Results: #Consistent: 207 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V103 HG11 = -0.212(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1315e-05 1.V103 HG12 = -0.212(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1315e-05 1.V103 HG13 = -0.212(S), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1315e-05 1.Q116 HB2 = 1.107(S), Expected = 2.05, Std = 0.2500, ChiSquare = 1.6194e-04 1.M122 HG2 = 0.927(S), Expected = 2.42, Std = 0.3500, ChiSquare = 1.9926e-05 1.M122 HG3 = 1.063(S), Expected = 2.39, Std = 0.3800, ChiSquare = 4.7923e-04 1.E128 HB2 = 1.009(S), Expected = 2.02, Std = 0.2100, ChiSquare = 1.4773e-06 1.S141 HB2 = 2.550(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.0377e-07 1.S141 HB3 = 2.478(S), Expected = 3.85, Std = 0.2700, ChiSquare = 3.7450e-07 1.L143 HD11 = -0.525(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2743e-06 1.L143 HD12 = -0.525(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2743e-06 1.L143 HD13 = -0.525(S), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2743e-06 1.L143 HD21 = -0.365(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5946e-04 1.L143 HD22 = -0.365(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5946e-04 1.L143 HD23 = -0.365(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5946e-04 1.W163 HZ2 = 5.605(S), Expected = 7.28, Std = 0.3300, ChiSquare = 3.8596e-07 1.W163 HH2 = 4.963(S), Expected = 6.98, Std = 0.3900, ChiSquare = 2.3186e-07 1.L168 HB2 = -0.323(S), Expected = 1.61, Std = 0.3400, ChiSquare = 1.3059e-08 1.L168 HB3 = -0.666(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.2615e-09 1.E172 HB2 = 0.784(S), Expected = 2.02, Std = 0.2100, ChiSquare = 3.9634e-09 1.E172 HB3 = 1.173(S), Expected = 1.99, Std = 0.2300, ChiSquare = 3.8206e-04 1.F183 HE1 = 5.852(S), Expected = 7.08, Std = 0.3100, ChiSquare = 7.4546e-05 1.F183 HE2 = 5.852(S), Expected = 7.08, Std = 0.3200, ChiSquare = 1.2429e-04 1.Q187 HB3 = 0.678(S), Expected = 2.02, Std = 0.2800, ChiSquare = 1.6442e-06 1.Q187 HG3 = 1.161(S), Expected = 2.29, Std = 0.2900, ChiSquare = 9.8970e-05 1.T192 HB = 2.899(S), Expected = 4.17, Std = 0.3300, ChiSquare = 1.1739e-04 1.T192 HG21 = 0.136(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.2700e-05 1.T192 HG22 = 0.136(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.2700e-05 1.T192 HG23 = 0.136(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.2700e-05