Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.58 M 0.24 K 0.12 I 0.04 C Shift Assignments>> C :: 176.701 CA :: 55.895 CB :: 30.531 CG :: 36.047 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> HA :: 4.429 HB2 :: 2.167 HB3 :: 1.904 HG2 :: 2.326 HG3 :: 2.326 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.25 G 0.03 A 0.02 K 0.01 C Shift Assignments>> C :: 177.998 CA :: 54.821 CB :: 42.562 CG :: 27.459 CD1 :: 26.457 CD2 :: 23.481 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.616 HA :: 4.495 HB2 :: 1.769 HB3 :: 1.560 HG :: 1.703 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.700 Ave N Shift Values>> N :: 121.98(4.07) 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 :: 172.700 CA :: 58.713 CB :: 64.179 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.787 HA :: 4.701 HB2 :: 3.954 HB3 :: 3.954 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.879 Ave N Shift Values>> N :: 116.3(3.95) 1.W6 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Anomalous PRTL>> W 0.99 C Shift Assignments>> C :: 177.668 CA :: 56.000 CB :: 31.077 CD1 :: 125.216 CE3 :: 120.401 CZ2 :: 115.365 CZ3 :: 121.674 CH2 :: 121.795 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.882 HA :: 5.349 HB2 :: 3.205 HB3 :: 3.205 HD1 :: 7.364 HE1 :: 12.079(A) HE3 :: 7.003 HZ2 :: 7.788 HZ3 :: 6.712 HH2 :: 6.957 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.139 NE1 :: 137.528(A) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.090 CA :: 60.541 CB :: 70.841 CG2 :: 23.283 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.441 HA :: 4.472 HB :: 4.940 HG1 :: 5.430 HG21 :: 1.345 HG22 :: 1.345 HG23 :: 1.345 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.035 Ave N Shift Values>> N :: 115.7(5.05) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.35 I 0.04 C Shift Assignments>> C :: 181.184 CA :: 55.100 CB :: 17.765 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.025 HA :: 4.212 HB1 :: 1.517 HB2 :: 1.517 HB3 :: 1.517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.158 Ave N Shift Values>> N :: 123.23(3.7) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.24 K 0.11 M 0.07 C Shift Assignments>> C :: 178.840 CA :: 59.265 CB :: 29.945 CG :: 36.096 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.660 HA :: 4.019 HB2 :: 1.941 HB3 :: 2.149 HG2 :: 2.343 HG3 :: 2.343 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.444 Ave N Shift Values>> N :: 120.68(3.68) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 V 0.01 C Shift Assignments>> C :: 179.661 CA :: 55.589 CB :: 18.841 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.689 HA :: 3.979 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.877 Ave N Shift Values>> N :: 123.23(3.7) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.37 K 0.11 M 0.02 C Shift Assignments>> C :: 180.130 CA :: 59.594 CB :: 29.117 CG :: 36.368 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.799 HA :: 4.060 HB2 :: 2.044 HB3 :: 2.186 HG2 :: 2.418 HG3 :: 2.249 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.919 Ave N Shift Values>> N :: 120.68(3.68) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.3 M 0.03 G 0.01 C Shift Assignments>> C :: 179.895 CA :: 59.156 CB :: 31.908 CG :: 25.067 CD :: 29.170 CE :: 41.866 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.033 HA :: 4.044 HB2 :: 1.941 HB3 :: 1.941 HG2 :: 1.595 HG3 :: 1.400 HD2 :: 1.696 HD3 :: 1.696 HE2 :: 2.961 HE3 :: 2.961 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.960 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 A 0.01 I 0.01 C Shift Assignments>> C :: 179.661 CA :: 59.202 CB :: 32.133 CG :: 32.262 CE :: 17.498 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.508 HA :: 3.885 HB2 :: 1.903 HB3 :: 1.711 HG2 :: 2.766 HG3 :: 2.451 HE1 :: 2.129 HE2 :: 2.129 HE3 :: 2.129 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.117 Ave N Shift Values>> N :: 120.1(3.88) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.03 A 0.01 C Shift Assignments>> C :: 178.254 CA :: 57.187 CB :: 41.063 CG :: 26.411 CD1 :: 22.975 CD2 :: 25.385 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.153 HA :: 4.112 HB2 :: 1.670 HB3 :: 1.892 HG :: 1.432 HD11 :: 1.019 HD12 :: 1.019 HD13 :: 1.019 HD21 :: 0.296 HD22 :: 0.296 HD23 :: 0.296 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.169 Ave N Shift Values>> N :: 121.98(4.07) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 174.269 CA :: 45.966 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.860 HA2 :: 3.780 HA3 :: 3.780 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.709 Ave N Shift Values>> N :: 109.91(4.29) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.35 M 0.04 G 0.01 HN Overlap>> 1.V40 1.V40 C Shift Assignments>> C :: 177.668 CA :: 55.953 CB :: 32.406 CG :: 24.815 CD :: 28.599 CE :: 41.972 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.231 HA :: 4.286 HB2 :: 2.072 HB3 :: 1.892 HG2 :: 1.672 HG3 :: 1.509 HD2 :: 1.693 HD3 :: 1.693 HE2 :: 2.963 HE3 :: 2.963 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.661 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 60.084 CB :: 31.965 CG1 :: 21.064 CG2 :: 21.960 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.844 HA :: 4.337 HB :: 2.533 HG11 :: 1.089 HG12 :: 1.089 HG13 :: 1.089 HG21 :: 1.311 HG22 :: 1.311 HG23 :: 1.311 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.284 Ave N Shift Values>> N :: 121.02(4.96) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.434 CA :: 63.500 CB :: 32.555 CG :: 27.685 CD :: 50.974 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.377 HB2 :: 1.620 HB3 :: 2.430 HG2 :: 2.089 HG3 :: 2.089 HD2 :: 3.493 HD3 :: 3.996 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 Y 0.25 C Shift Assignments>> C :: 177.199 CA :: 62.179 CB :: 39.212 CD1 :: 131.657 CD2 :: 131.657 CE1 :: 131.634 CE2 :: 131.634 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.864 HA :: 3.873 HB2 :: 3.278 HB3 :: 3.057 HD1 :: 7.158 HD2 :: 7.158 HE1 :: 7.416 HE2 :: 7.416 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.212 Ave N Shift Values>> N :: 120.69(4.18) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.48 C Shift Assignments>> C :: 176.262 CA :: 59.390 CB :: 38.100 CD1 :: 131.746 CD2 :: 131.746 CE1 :: 130.363 CE2 :: 130.363 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.012 HA :: 4.333 HB2 :: 3.265 HB3 :: 3.027 HD1 :: 7.214 HD2 :: 7.214 HE1 :: 7.368 HE2 :: 7.368 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.644 Ave N Shift Values>> N :: 120.69(4.18) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.676 CA :: 60.489 CB :: 33.034 CG1 :: 21.046 CG2 :: 19.972 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.205 HA :: 4.599 HB :: 2.165 HG11 :: 0.722 HG12 :: 0.722 HG13 :: 0.722 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 112.299 Ave N Shift Values>> N :: 121.02(4.96) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 G 0.46 K 0.02 C Shift Assignments>> C :: 177.317 CA :: 61.224 CB :: 30.793 CG :: 27.427 CD :: 44.088 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.387 HA :: 3.563 HB2 :: 1.889 HB3 :: 1.557 HG2 :: 1.553 HG3 :: 1.553 HD2 :: 3.130 HD3 :: 3.130 HE :: 6.662 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.499 NE :: 83.763 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.31 M 0.02 G 0.01 C Shift Assignments>> C :: 179.075 CA :: 59.606 CB :: 31.576 CG :: 25.049 CD :: 29.164 CE :: 41.875 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.301 HA :: 3.941 HB2 :: 1.732 HB3 :: 1.732 HG2 :: 1.351 HG3 :: 1.487 HD2 :: 1.652 HD3 :: 1.652 HE2 :: 2.963 HE3 :: 2.963 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.133 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.3 M 0.03 G 0.01 C Shift Assignments>> C :: 178.489 CA :: 59.080 CB :: 31.915 CG :: 24.946 CD :: 29.214 CE :: 41.940 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.569 HA :: 4.048 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 1.500 HG3 :: 1.386 HD2 :: 1.685 HD3 :: 1.685 HE2 :: 2.959 HE3 :: 2.959 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.315 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.778 CA :: 66.704 CB :: 31.352 CG1 :: 21.926 CG2 :: 23.339 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.266 HA :: 3.726 HB :: 2.111 HG11 :: 1.055 HG12 :: 1.055 HG13 :: 1.055 HG21 :: 1.111 HG22 :: 1.111 HG23 :: 1.111 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.177 Ave N Shift Values>> N :: 121.02(4.96) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.14 G 0.09 HN Overlap>> 1.D30 1.D30 C Shift Assignments>> C :: 177.584 CA :: 60.348 CB :: 29.878 CG :: 27.581 CD :: 42.923 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.809 HA :: 4.170 HB2 :: 1.716 HB3 :: 1.865 HG2 :: 1.510 HG3 :: 1.160 HD2 :: 2.924 HD3 :: 2.642 HE :: 7.076 HH11 :: 6.666 HH12 :: 6.666 HH21 :: 6.184 HH22 :: 6.184 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.742 NE :: 83.947 NH1 :: 71.269 NH2 :: 71.217 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.34 M 0.03 G 0.01 HN Overlap>> 1.H52 1.H52 C Shift Assignments>> C :: 179.075 CA :: 59.077 CB :: 31.928 CG :: 24.412 CD :: 28.821 CE :: 41.940 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.946 HA :: 4.275 HB2 :: 1.979 HB3 :: 1.979 HG2 :: 1.520 HG3 :: 1.595 HD2 :: 1.760 HD3 :: 1.760 HE2 :: 3.015 HE3 :: 2.961 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.523 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 N 0.2 F 0.19 D 0.12 E 0.1 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 178.606 CA :: 55.700 CB :: 38.226 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.782 HA :: 4.580 HB2 :: 2.937 HB3 :: 2.813 HD21 :: 7.720 HD22 :: 6.934 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.451 ND2 :: 111.425 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.101 CA :: 67.885 CB :: 67.899 CG2 :: 22.571 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.641 HA :: 4.728 HB :: 3.827 HG1 :: 4.808 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.396 Ave N Shift Values>> N :: 115.7(5.05) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 L 0.11 K 0.1 D 0.09 I 0.08 N 0.01 R 0.01 HN Overlap>> 1.R26 1.R26 C Shift Assignments>> C :: 178.440 CA :: 57.709 CB :: 40.390 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.871 HA :: 4.340 HB2 :: 3.034 HB3 :: 2.716 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.756 Ave N Shift Values>> N :: 120.73(4.2) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.19 N 0.16 E 0.14 D 0.09 I 0.05 M 0.03 L 0.02 C Shift Assignments>> C :: 177.668 CA :: 55.998 CB :: 38.004 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.297 HA :: 4.433 HB2 :: 2.948 HB3 :: 3.005 HD21 :: 7.874 HD22 :: 6.917 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.200 ND2 :: 112.117 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.145 CA :: 61.509 CB :: 38.257 CD1 :: 132.105 CD2 :: 132.105 CE1 :: 117.794 CE2 :: 117.794 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.996 HA :: 4.181 HB2 :: 3.113 HB3 :: 3.176 HD1 :: 6.802 HD2 :: 6.802 HE1 :: 6.318 HE2 :: 6.318 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.561 Ave N Shift Values>> N :: 120.79(4.69) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.34 I 0.04 C Shift Assignments>> C :: 179.426 CA :: 55.178 CB :: 17.829 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.652 HA :: 3.595 HB1 :: 1.382 HB2 :: 1.382 HB3 :: 1.382 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.907 Ave N Shift Values>> N :: 123.23(3.7) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.19 G 0.12 C Shift Assignments>> C :: 180.247 CA :: 59.244 CB :: 29.996 CG :: 28.727 CD :: 43.272 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.105 HA :: 4.037 HB2 :: 1.823 HB3 :: 1.940 HG2 :: 1.660 HG3 :: 1.660 HD2 :: 3.282 HD3 :: 3.200 HE :: 7.474 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.180 NE :: 85.188 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.3 K 0.13 M 0.03 C Shift Assignments>> C :: 178.958 CA :: 59.352 CB :: 29.277 CG :: 36.133 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.965 HA :: 3.944 HB2 :: 2.034 HB3 :: 2.167 HG2 :: 2.351 HG3 :: 2.157 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.590 Ave N Shift Values>> N :: 120.68(3.68) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.496 CA :: 61.316 CB :: 37.760 CG1 :: 25.922 CG2 :: 16.925 CD1 :: 14.938 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.575 HA :: 4.330 HB :: 1.994 HG12 :: 1.076 HG13 :: 1.017 HG21 :: 0.433 HG22 :: 0.433 HG23 :: 0.433 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 109.787 Ave N Shift Values>> N :: 121.6(4.72) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 175.207 CA :: 46.300 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.622 HA2 :: 4.005 HA3 :: 3.755 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.259 Ave N Shift Values>> N :: 109.91(4.29) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 K 0.31 M 0.3 R 0.02 C Shift Assignments>> CA :: 52.674 CB :: 29.857 CG :: 34.983 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.239 HA :: 4.767 HB2 :: 1.480 HB3 :: 1.993 HG2 :: 2.214 HG3 :: 2.102 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.562 Ave N Shift Values>> N :: 120.68(3.68) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.441 CA :: 63.278 CB :: 32.248 CG :: 26.676 CD :: 50.695 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.410 HB2 :: 2.206 HB3 :: 2.041 HG2 :: 2.116 HG3 :: 1.990 HD2 :: 4.107 HD3 :: 3.802 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.01 HN Overlap>> 1.K16 1.K16 C Shift Assignments>> C :: 175.676 CA :: 59.900 CB :: 36.442 CG1 :: 20.942 CG2 :: 21.102 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.319 HA :: 4.413 HB :: 1.766 HG11 :: 0.704 HG12 :: 0.704 HG13 :: 0.704 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.729 Ave N Shift Values>> N :: 121.02(4.96) 1.V41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.449 CA :: 64.048 CB :: 29.335 CG1 :: 20.106 CG2 :: 20.677 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.948 HA :: 3.343 HB :: 0.507(S) HG11 :: -0.572(S) HG12 :: -0.572(S) HG13 :: -0.572(S) HG21 :: 0.335 HG22 :: 0.335 HG23 :: 0.335 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.447 Ave N Shift Values>> N :: 121.02(4.96) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 175.207 CA :: 58.800 CB :: 71.183 CG2 :: 21.685 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.286 HA :: 4.790 HB :: 4.843 HG1 :: 6.056 HG21 :: 1.235 HG22 :: 1.235 HG23 :: 1.235 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.214 Ave N Shift Values>> N :: 115.7(5.05) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.28 I 0.06 V 0.01 C Shift Assignments>> C :: 178.958 CA :: 55.857 CB :: 18.500 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.989 HA :: 3.931 HB1 :: 1.371 HB2 :: 1.371 HB3 :: 1.371 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.069 Ave N Shift Values>> N :: 123.23(3.7) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.22 Y 0.17 L 0.16 D 0.09 R 0.05 I 0.04 N 0.01 C Shift Assignments>> C :: 178.254 CA :: 57.457 CB :: 41.183 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.202 HA :: 4.443 HB2 :: 2.608 HB3 :: 2.526 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.002 Ave N Shift Values>> N :: 120.73(4.2) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.848 CA :: 66.730 CB :: 31.404 CG1 :: 21.764 CG2 :: 22.973 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.465 HA :: 3.541 HB :: 2.103 HG11 :: 0.938 HG12 :: 0.938 HG13 :: 0.938 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.042 Ave N Shift Values>> N :: 121.02(4.96) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.317 CA :: 61.452 CB :: 38.783 CD1 :: 132.272 CD2 :: 132.272 CE1 :: 130.652 CE2 :: 130.652 CZ :: 128.851 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.435 HA :: 3.869 HB2 :: 2.654 HB3 :: 3.332 HD1 :: 7.290 HD2 :: 7.290 HE1 :: 7.310 HE2 :: 7.310 HZ :: 7.075 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.773 Ave N Shift Values>> N :: 120.69(4.18) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.16 G 0.15 C Shift Assignments>> C :: 179.075 CA :: 60.100 CB :: 30.100 CG :: 28.478 CD :: 43.277 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.345 HA :: 3.805 HB2 :: 1.959 HB3 :: 1.959 HG2 :: 1.918 HG3 :: 1.607 HD2 :: 3.252 HD3 :: 3.252 HE :: 7.359 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.082 NE :: 84.020 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.32 M 0.01 G 0.01 C Shift Assignments>> C :: 179.192 CA :: 59.419 CB :: 32.272 CG :: 25.766 CD :: 29.163 CE :: 41.936 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.168 HA :: 3.946 HB2 :: 2.065 HB3 :: 1.920 HG2 :: 1.685 HG3 :: 1.494 HD2 :: 1.612 HD3 :: 1.673 HE2 :: 2.964 HE3 :: 2.964 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.101 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.52 M 0.44 I 0.01 C Shift Assignments>> C :: 178.958 CA :: 54.500 CB :: 18.983 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.583 HA :: 2.838(S) HB1 :: 1.315 HB2 :: 1.315 HB3 :: 1.315 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.229 Ave N Shift Values>> N :: 123.23(3.7) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.25 M 0.06 C Shift Assignments>> C :: 179.192 CA :: 59.097 CB :: 32.061 CG :: 24.349 CD :: 29.488 CE :: 41.808 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.726 HA :: 3.713 HB2 :: 1.727 HB3 :: 1.563 HG2 :: 1.292 HG3 :: 1.197 HD2 :: 1.542 HD3 :: 1.542 HE2 :: 2.818 HE3 :: 2.818 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.089 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 K 0.18 I 0.18 M 0.06 C Shift Assignments>> C :: 177.903 CA :: 58.312 CB :: 29.500 CG :: 35.996 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.615 HA :: 4.009 HB2 :: 1.997 HB3 :: 1.997 HG2 :: 2.337 HG3 :: 2.164 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.891 Ave N Shift Values>> N :: 120.68(3.68) 1.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 H 0.48 HN Overlap>> 1.K27 1.K27 C Shift Assignments>> C :: 176.425 CA :: 58.037 CB :: 29.746 CD2 :: 120.106 CE1 :: 137.789 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.952 HA :: 4.373 HB2 :: 2.970 HB3 :: 2.905 HD2 :: 6.949 HE1 :: 8.246 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.521 ND1 :: 200.878 NE2 :: 178.265 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.06 A 0.03 HN Overlap>> 1.E57 1.E57 C Shift Assignments>> C :: 178.440 CA :: 55.976 CB :: 41.641 CG :: 26.765 CD1 :: 25.070 CD2 :: 22.987 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.202 HA :: 4.085 HB2 :: 1.673 HB3 :: 1.529 HG :: 1.659 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.567 Ave N Shift Values>> N :: 121.98(4.07) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 174.972 CA :: 45.648 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.918 HA2 :: 3.926 HA3 :: 3.926 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.321 Ave N Shift Values>> N :: 109.91(4.29) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 174.621 CA :: 45.478 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.056 HA2 :: 3.946 HA3 :: 3.946 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.267 Ave N Shift Values>> N :: 109.91(4.29) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.06 A 0.02 G 0.02 C Shift Assignments>> C :: 177.551 CA :: 55.452 CB :: 42.159 CG :: 26.524 CD1 :: 25.108 CD2 :: 23.272 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.944 HA :: 4.223 HB2 :: 1.524 HB3 :: 1.629 HG :: 1.577 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 HD21 :: 0.801 HD22 :: 0.801 HD23 :: 0.801 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.653 Ave N Shift Values>> N :: 121.98(4.07) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.19 M 0.13 I 0.07 HN Overlap>> 1.L53 1.L53 C Shift Assignments>> C :: 176.262 CA :: 56.677 CB :: 29.846 CG :: 35.989 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.284 HA :: 4.154 HB2 :: 1.883 HB3 :: 1.883 HG2 :: 2.116 HG3 :: 2.199 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.635 Ave N Shift Values>> N :: 120.68(3.68) 1.H58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 60 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 55 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 63 #Suspicious: 0 C Shift Results: #Consistent: 255 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 408 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 N Shift Results: #Consistent: 62 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.W6 HE1 = 12.079(A), Expected = 10.13, Std = 0.5300, ChiSquare = 2.3566e-04 1.W6 NE1 = 137.528(A), Expected = 129.48, Std = 2.5600, ChiSquare = 1.6680e-03 1.V41 HB = 0.507(S), Expected = 1.99, Std = 0.3300, ChiSquare = 6.9918e-06 1.V41 HG11 = -0.572(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.6985e-07 1.V41 HG12 = -0.572(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.6985e-07 1.V41 HG13 = -0.572(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.6985e-07 1.A49 HA = 2.838(S), Expected = 4.26, Std = 0.4200, ChiSquare = 7.0993e-04