G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 176.125 CA :: 46.136 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.868 HA3 :: 3.868 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.41 A 0.01 C Shift Assignments>> C :: 178.445 CA :: 57.053 CB :: 40.063 CG :: 26.162 CD1 :: 22.956 CD2 :: 25.991 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 :: 7.819 HA :: 3.766 HB2 :: 0.908 HB3 :: 0.386 HG :: 1.451 HD1 :: 0.535 HD2 :: 0.518 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.291 Ave N Shift Values>> N :: 121.98(4.07) K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.2 M 0.01 G 0.01 HN Overlap>> V87 C Shift Assignments>> C :: 178.437 CA :: 59.256 CB :: 32.139 CG :: 25.258 CD :: 29.368 CE :: 42.275 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 :: 7.921 HA :: 3.859 HB2 :: 1.896 HB3 :: 1.896 HG2 :: 1.474 HG3 :: 1.474 HD2 :: 1.827 HD3 :: 1.827 HE2 :: 2.991 HE3 :: 2.991 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 :: 120.986 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.949 CA :: 65.626 CB :: 31.833 CG1 :: 21.000 CG2 :: 22.106 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 :: 7.359 HA :: 3.651 HB :: 2.001 HG1 :: 0.864 HG2 :: 0.965 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 :: 117.938 Ave N Shift Values>> N :: 121.02(4.96) L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.32 R 0.12 G 0.02 HN Overlap>> E89 C Shift Assignments>> C :: 178.890 CA :: 57.962 CB :: 42.490 CG :: 26.967 CD1 :: 25.700 CD2 :: 23.943 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 :: 7.519 HA :: 4.084 HB2 :: 1.425 HB3 :: 1.554 HG :: 1.421 HD1 :: 0.463 HD2 :: 0.717 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 :: 120.529 Ave N Shift Values>> N :: 121.98(4.07) T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.013 CA :: 64.682 CB :: 69.507 CG2 :: 22.709 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.917 HA :: 3.704 HB :: 3.659 HG2 :: 0.425 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 :: 105.595 Ave N Shift Values>> N :: 115.7(5.05) N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.22 L 0.13 C 0.11 F 0.06 Y 0.05 K 0.05 C Shift Assignments>> C :: 175.343 CA :: 53.098 CB :: 40.627 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.140 HA :: 4.756 HB2 :: 2.820 HB3 :: 2.516 HD21 :: 6.953 HD22 :: 7.640 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 :: 116.262 ND2 :: 113.710 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.02 G 0.01 C Shift Assignments>> C :: 175.226 CA :: 59.429 CB :: 32.940 CG :: 24.871 CD :: 29.615 CE :: 42.193 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 :: 7.488 HA :: 3.904 HB2 :: 1.989 HB3 :: 2.124 HG2 :: 1.474 HG3 :: 1.474 HD2 :: 1.473 HD3 :: 1.628 HE2 :: 3.004 HE3 :: 3.004 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.053 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 C 0.26 A 0.23 M 0.06 K 0.03 P 0.03 G 0.01 C Shift Assignments>> CA :: 49.838 CB :: 23.127 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.170 HA :: 4.575 HB :: 1.321 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.078 Ave N Shift Values>> N :: 123.23(3.7) S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.774 CA :: 63.023 CB :: 63.093 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.737 HA :: 4.785 HB2 :: 4.035 HB3 :: 4.035 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 :: 116.089 Ave N Shift Values>> N :: 116.3(3.95) V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.014 CA :: 62.432 CB :: 33.192 CG1 :: 23.765 CG2 :: 21.277 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 :: 7.905 HA :: 4.819 HB :: 2.380 HG1 :: 0.878 HG2 :: 1.055 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.920 Ave N Shift Values>> N :: 121.02(4.96) M18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.36 C 0.33 M 0.29 C Shift Assignments>> C :: 173.644 CA :: 53.187 CB :: 36.206 CG :: 32.657 CE :: 16.724 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 :: 9.048 HA :: 5.262 HB2 :: 1.798 HB3 :: 1.962 HG2 :: 2.392 HG3 :: 2.171 HE :: 1.653 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 :: 126.320 Ave N Shift Values>> N :: 120.1(3.88) L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.35 C 0.18 R 0.01 C Shift Assignments>> C :: 174.294 CA :: 53.202 CB :: 44.832 CG :: 27.812 CD1 :: 24.332 CD2 :: 24.318 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.054 HA :: 5.320 HB2 :: 2.037 HB3 :: 1.052 HG :: 0.917 HD1 :: 0.937 HD2 :: 0.843 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 :: 127.094 Ave N Shift Values>> N :: 121.98(4.07) F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.4 C Shift Assignments>> C :: 175.161 CA :: 58.119 CB :: 39.777 CD1 :: 132.140 CD2 :: 132.140 CE1 :: 130.481 CE2 :: 130.481 CZ :: 128.726 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.469 HA :: 5.294 HB2 :: 3.432 HB3 :: 3.024 HD1 :: 7.204 HD2 :: 7.204 HE1 :: 6.398 HE2 :: 6.398 HZ :: 6.411 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 :: 127.281 Ave N Shift Values>> N :: 120.69(4.18) M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 C 0.38 M 0.08 I 0.04 C Shift Assignments>> C :: 171.866 CA :: 54.043 CB :: 36.759 CG :: 29.451 CE :: 17.633 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 :: 9.331 HA :: 5.072 HB2 :: 1.762 HB3 :: 2.084 HG2 :: 2.212 HG3 :: 2.270 HE :: 1.867 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.681 Ave N Shift Values>> N :: 120.1(3.88) K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.33 R 0.25 G 0.03 C Shift Assignments>> C :: 175.342 CA :: 56.639 CB :: 32.320 CD :: 29.368 CE :: 42.851 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 :: 8.032 HA :: 4.564 HB2 :: 1.509 HB3 :: 2.006 HG2 :: 1.454 HG3 :: 1.454 HE2 :: 2.942 HE3 :: 2.942 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 :: 117.481 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.105 CA :: 44.556 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.961 HA2 :: 4.685 HA3 :: 3.655 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.786 Ave N Shift Values>> N :: 109.91(4.29) N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.32 C 0.12 L 0.09 F 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 174.294 CA :: 52.108 CB :: 40.367 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.982 HA :: 4.956 HB2 :: 3.077 HB3 :: 2.729 HD21 :: 6.985 HD22 :: 7.901 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 :: 117.024 ND2 :: 115.818 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.3 K 0.26 G 0.01 C Shift Assignments>> C :: 177.992 CA :: 59.944 CB :: 33.441 CG :: 26.491 CD :: 30.026 CE :: 42.029 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 :: 7.954 HA :: 3.918 HB2 :: 1.723 HB3 :: 1.773 HG2 :: 1.377 HG3 :: 1.572 HD2 :: 1.513 HD3 :: 1.513 HE2 :: 2.580 HE3 :: 2.268(S) 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 :: 113.519 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.22 Q 0.21 K 0.2 M 0.04 I 0.02 R 0.02 C Shift Assignments>> C :: 176.115 CA :: 57.158 CB :: 29.177 CG :: 34.824 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.060 HA :: 4.228 HB2 :: 2.056 HB3 :: 2.114 HG2 :: 2.298 HG3 :: 2.350 HE21 :: 7.507 HE22 :: 6.787 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.043 NE2 :: 112.070 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.15 K 0.06 Q 0.06 I 0.02 C Shift Assignments>> C :: 174.047 CA :: 56.160 CB :: 30.676 CG :: 36.027 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 :: 7.663 HA :: 4.266 HB2 :: 1.842 HB3 :: 1.842 HG2 :: 1.891 HG3 :: 2.114 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 :: 121.748 Ave N Shift Values>> N :: 120.68(3.68) A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.06 C 0.02 C Shift Assignments>> C :: 178.777 CA :: 49.730 CB :: 19.433 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.910 HA :: 4.601 HB :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.195 Ave N Shift Values>> N :: 123.23(3.7) K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.26 M 0.02 C Shift Assignments>> C :: 175.245 CA :: 56.146 CB :: 33.202 CG :: 25.795 CD :: 29.615 CE :: 42.111 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 :: 8.556 HA :: 4.497 HB2 :: 2.165 HB3 :: 1.026 HG2 :: 1.230 HG3 :: 1.394 HD2 :: 1.478 HD3 :: 1.624 HE2 :: 2.842 HE3 :: 2.842 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 :: 120.224 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.16 V 0.13 Q 0.12 M 0.12 W 0.08 R 0.06 E 0.04 I 0.01 C Shift Assignments>> C :: 176.634 CA :: 59.009 CB :: 33.166 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.463 HA :: 4.773 HB2 :: 3.427 HB3 :: 2.956 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.415 Ave N Shift Values>> N :: 119.95(4.79) G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.7 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> CA :: 47.264 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.923 HA3 :: 3.923 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.55 C 0.44 C Shift Assignments>> CA :: 59.809 CB :: 38.281 CD1 :: 131.285 CD2 :: 131.285 CE1 :: 131.980 CE2 :: 131.980 CZ :: 130.354 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>> HA :: 4.669 HB2 :: 3.467 HB3 :: 3.167 HD1 :: 7.467 HD2 :: 7.467 HE1 :: 7.504 HE2 :: 7.504 HZ :: 7.407 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) S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.882 CA :: 63.576 CB :: 62.747 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.940 HA :: 4.189 HB2 :: 3.938 HB3 :: 3.938 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.203 Ave N Shift Values>> N :: 116.3(3.95) K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.15 G 0.01 M 0.01 C Shift Assignments>> C :: 178.361 CA :: 59.962 CB :: 32.879 CG :: 25.093 CD :: 29.104 CE :: 42.193 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 :: 8.261 HA :: 3.791 HB2 :: 1.864 HB3 :: 2.056 HG2 :: 1.472 HG3 :: 1.472 HD2 :: 1.493 HD3 :: 1.726 HE2 :: 2.966 HE3 :: 2.966 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 :: 121.596 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.28 Q 0.12 K 0.11 I 0.07 M 0.07 C Shift Assignments>> C :: 179.131 CA :: 59.298 CB :: 30.055 CG :: 35.123 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.774 HA :: 4.135 HB2 :: 2.125 HB3 :: 2.262 HG2 :: 2.333 HG3 :: 2.681 HE21 :: 6.989 HE22 :: 7.153 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.415 NE2 :: 111.297 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 176.434 CA :: 65.755 CB :: 38.143 CG1 :: 31.177 CG2 :: 18.599 CD1 :: 13.535 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.179 HA :: 3.899 HB :: 1.847 HG2 :: 1.206 HG12 :: 1.219 HG13 :: 1.568 HD1 :: 0.681 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.005 Ave N Shift Values>> N :: 121.6(4.72) L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.36 R 0.19 G 0.02 K 0.01 C Shift Assignments>> C :: 178.516 CA :: 58.168 CB :: 42.393 CG :: 26.268 CD1 :: 24.600 CD2 :: 27.082 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 :: 7.796 HA :: 3.873 HB2 :: 2.017 HB3 :: 1.535 HG :: 1.903 HD1 :: 0.973 HD2 :: 0.934 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 :: 123.882 Ave N Shift Values>> N :: 121.98(4.07) E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.2 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 180.394 CA :: 59.631 CB :: 29.571 CG :: 36.206 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 :: 7.564 HA :: 4.022 HB2 :: 2.158 HB3 :: 2.158 HG2 :: 2.288 HG3 :: 2.480 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 :: 117.481 Ave N Shift Values>> N :: 120.68(3.68) I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 179.696 CA :: 65.278 CB :: 38.348 CG1 :: 29.032 CG2 :: 17.201 CD1 :: 14.365 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 :: 7.630 HA :: 3.682 HB :: 1.716 HG2 :: 0.602 HG12 :: 1.921 HG13 :: 0.946 HD1 :: 0.747 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.158 Ave N Shift Values>> N :: 121.6(4.72) L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.3 A 0.01 R 0.01 HN Overlap>> E48 C Shift Assignments>> C :: 181.893 CA :: 57.770 CB :: 40.183 CG :: 26.820 CD1 :: 22.052 CD2 :: 26.082 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 :: 8.555 HA :: 3.749 HB2 :: 1.409 HB3 :: 0.640 HG :: 1.422 HD1 :: 0.454 HD2 :: 0.240 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 :: 120.986 Ave N Shift Values>> N :: 121.98(4.07) N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.2 Y 0.15 N 0.11 F 0.08 M 0.06 I 0.02 D 0.02 K 0.02 C Shift Assignments>> C :: 177.914 CA :: 55.730 CB :: 37.035 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 :: 9.549 HA :: 4.794 HB2 :: 3.017 HB3 :: 2.971 HD21 :: 7.120 HD22 :: 7.784 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 :: 122.662 ND2 :: 112.483 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.346 CA :: 60.963 CB :: 63.573 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.720 HA :: 4.418 HB2 :: 4.082 HB3 :: 4.082 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.500 Ave N Shift Values>> N :: 116.3(3.95) T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.119 CA :: 63.605 CB :: 71.044 CG2 :: 21.138 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.468 HA :: 4.306 HB :: 4.199 HG2 :: 1.313 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 :: 110.472 Ave N Shift Values>> N :: 115.7(5.05) G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 173.922 CA :: 46.178 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.350 HA2 :: 4.168 HA3 :: 3.865 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.337 Ave N Shift Values>> N :: 109.91(4.29) V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 175.910 CA :: 61.943 CB :: 32.504 CG1 :: 21.147 CG2 :: 21.277 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 :: 7.660 HA :: 4.098 HB :: 2.082 HG1 :: 0.873 HG2 :: 0.962 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.920 Ave N Shift Values>> N :: 121.02(4.96) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.08 K 0.07 I 0.06 Q 0.03 C Shift Assignments>> C :: 176.071 CA :: 56.998 CB :: 30.091 CG :: 36.438 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 :: 8.559 HA :: 4.400 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 2.252 HG3 :: 2.332 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 :: 126.167 Ave N Shift Values>> N :: 120.68(3.68) Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.4 C Shift Assignments>> C :: 172.746 CA :: 56.197 CB :: 41.459 CD1 :: 133.622 CD2 :: 133.622 CE1 :: 117.487 CE2 :: 117.487 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.120 HA :: 5.194 HB2 :: 2.624 HB3 :: 2.743 HD1 :: 6.966 HD2 :: 6.966 HE1 :: 6.580 HE2 :: 6.580 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.310 Ave N Shift Values>> N :: 120.79(4.69) E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 M 0.21 E 0.11 HN Overlap>> L40 C Shift Assignments>> C :: 174.718 CA :: 53.943 CB :: 33.567 CG :: 36.603 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 :: 8.495 HA :: 4.756 HB2 :: 1.865 HB3 :: 2.124 HG2 :: 2.148 HG3 :: 2.260 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.986 Ave N Shift Values>> N :: 120.68(3.68) T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 T 0.38 C Shift Assignments>> C :: 173.438 CA :: 59.655 CB :: 71.582 CG2 :: 23.860 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 :: 8.357 HA :: 5.657 HB :: 4.118 HG2 :: 1.218 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 :: 110.319 Ave N Shift Values>> N :: 115.7(5.05) F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 C 0.29 G 0.21 C Shift Assignments>> C :: 173.727 CA :: 57.542 CB :: 43.729 CD1 :: 131.688 CD2 :: 131.688 CE1 :: 131.688 CE2 :: 131.688 CZ :: 129.651 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 :: 8.672 HA :: 4.397 HB2 :: 2.491 HB3 :: 2.237 HD1 :: 7.119 HD2 :: 7.119 HE1 :: 7.274 HE2 :: 7.274 HZ :: 7.422 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 :: 123.577 Ave N Shift Values>> N :: 120.69(4.18) D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.22 L 0.14 C 0.11 K 0.05 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 178.648 CA :: 52.413 CB :: 40.906 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.552 HA :: 5.375 HB2 :: 2.426 HB3 :: 2.640 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 :: 127.386 Ave N Shift Values>> N :: 120.73(4.2) I52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 I 0.07 V 0.01 C Shift Assignments>> C :: 177.608 CA :: 62.455 CB :: 37.742 CG1 :: 25.811 CG2 :: 22.673(S) CD1 :: 15.209 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.041 HA :: 4.229 HB :: 1.769 HG2 :: 0.990 HG12 :: 0.033 HG13 :: 0.937 HD1 :: 0.336 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.615 Ave N Shift Values>> N :: 121.6(4.72) L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.44 A 0.05 R 0.04 C Shift Assignments>> C :: 178.794 CA :: 56.509 CB :: 40.633 CG :: 27.359 CD1 :: 26.253 CD2 :: 21.887 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 :: 8.877 HA :: 4.131 HB2 :: 2.253 HB3 :: 1.466 HG :: 1.609 HD1 :: 0.999 HD2 :: 0.845 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 :: 119.005 Ave N Shift Values>> N :: 121.98(4.07) E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.15 K 0.07 Q 0.06 I 0.02 C Shift Assignments>> C :: 175.838 CA :: 55.650 CB :: 30.637 CG :: 36.027 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 :: 7.118 HA :: 4.377 HB2 :: 1.766 HB3 :: 2.224 HG2 :: 1.992 HG3 :: 2.197 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 :: 113.977 Ave N Shift Values>> N :: 120.68(3.68) D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.18 D 0.17 C 0.11 K 0.08 G 0.04 F 0.03 Y 0.02 N 0.02 C Shift Assignments>> C :: 174.398 CA :: 53.750 CB :: 42.953 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 :: 6.726 HA :: 4.819 HB2 :: 3.112 HB3 :: 2.489 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 :: 117.248 Ave N Shift Values>> N :: 120.73(4.2) E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 I 0.1 K 0.09 Q 0.07 M 0.06 C Shift Assignments>> C :: 178.259 CA :: 59.012 CB :: 30.094 CG :: 35.698 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 :: 8.985 HA :: 4.122 HB2 :: 2.054 HB3 :: 2.114 HG2 :: 2.364 HG3 :: 2.364 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 :: 127.222 Ave N Shift Values>> N :: 120.68(3.68) E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.26 K 0.05 M 0.01 Q 0.01 HN Overlap>> E103 C Shift Assignments>> C :: 181.112 CA :: 59.480 CB :: 29.269 CG :: 36.767 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 :: 8.251 HA :: 4.136 HB2 :: 2.130 HB3 :: 2.223 HG2 :: 2.237 HG3 :: 2.360 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 :: 119.615 Ave N Shift Values>> N :: 120.68(3.68) V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 176.612 CA :: 66.521 CB :: 32.137 CG1 :: 22.956 CG2 :: 21.487 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 :: 8.087 HA :: 3.468 HB :: 1.922 HG1 :: 0.806 HG2 :: 0.482 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.815 Ave N Shift Values>> N :: 121.02(4.96) R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.12 K 0.07 C Shift Assignments>> C :: 180.427 CA :: 59.739 CB :: 30.796 CG :: 27.926 CD :: 43.670 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 :: 8.613 HA :: 3.822 HB2 :: 2.115 HB3 :: 2.450 HG2 :: 1.631 HG3 :: 1.471 HD2 :: 3.216 HD3 :: 3.216 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.005 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.25 Q 0.24 R 0.11 E 0.06 M 0.05 C Shift Assignments>> C :: 179.120 CA :: 57.525 CB :: 28.734 CG :: 33.165 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.320 HA :: 4.447 HB2 :: 2.138 HB3 :: 2.210 HG2 :: 2.614 HG3 :: 2.614 HE21 :: 6.972 HE22 :: 7.728 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.977 NE2 :: 112.205 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.22 L 0.03 A 0.02 P 0.01 C Shift Assignments>> C :: 177.071 CA :: 47.330 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.384 HA2 :: 3.891 HA3 :: 3.918 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.405 Ave N Shift Values>> N :: 109.91(4.29) L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 C Shift Assignments>> C :: 178.964 CA :: 57.826 CB :: 40.738 CG :: 26.530 CD1 :: 24.609 CD2 :: 24.056 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.153 HA :: 4.167 HB2 :: 1.722 HB3 :: 1.964 HG :: 1.527 HD1 :: 0.207 HD2 :: 0.054 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.662 Ave N Shift Values>> N :: 121.98(4.07) K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 179.728 CA :: 59.647 CB :: 32.826 CG :: 25.258 CE :: 41.338 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 :: 6.931 HA :: 4.360 HB2 :: 1.807 HB3 :: 1.995 HG2 :: 1.359 HG3 :: 1.359 HE2 :: 3.054 HE3 :: 3.054 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 :: 116.719 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.186 CA :: 64.364 CB :: 68.852 CG2 :: 22.106 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.129 HA :: 4.218 HB :: 4.245 HG2 :: 1.265 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 :: 112.148 Ave N Shift Values>> N :: 115.7(5.05) F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.4 C 0.17 C Shift Assignments>> C :: 177.016 CA :: 60.884 CB :: 41.189 CD1 :: 131.863 CD2 :: 131.863 CE1 :: 129.471 CE2 :: 129.471 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 :: 8.338 HA :: 4.291 HB2 :: 3.237 HB3 :: 3.024 HD1 :: 7.235 HD2 :: 7.235 HE1 :: 7.084 HE2 :: 7.084 HZ :: 7.159 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 :: 123.729 Ave N Shift Values>> N :: 120.69(4.18) S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.872 CA :: 57.904 CB :: 64.741 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.577 HA :: 4.400 HB2 :: 4.032 HB3 :: 4.189 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.538 Ave N Shift Values>> N :: 116.3(3.95) N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.24 Y 0.11 E 0.08 D 0.07 F 0.07 M 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 173.163 CA :: 54.113 CB :: 37.569 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.577 HA :: 4.346 HB2 :: 3.180 HB3 :: 2.663 HD21 :: 7.587 HD22 :: 6.769 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 :: 118.091 ND2 :: 112.483 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) W68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> C :: 175.542 CA :: 54.329 CB :: 31.180 CD1 :: 126.420 CE3 :: 121.588 CZ2 :: 113.732 CZ3 :: 121.666 CH2 :: 124.900 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.972 HA :: 4.938 HB2 :: 2.742 HB3 :: 3.079 HD1 :: 7.527 HE1 :: 9.727 HE3 :: 7.693 HZ2 :: 7.544 HZ3 :: 7.135 HH2 :: 7.270 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 :: 120.834 NE1 :: 127.908 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 176.115 CA :: 64.678 CB :: 32.568 CG :: 26.400 CD :: 50.332 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 :: 4.289 HB2 :: 1.953 HB3 :: 1.953 HG2 :: 1.499 HG3 :: 1.725 HD2 :: 3.221 HD3 :: 2.535 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) T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 C 0.4 A 0.01 C Shift Assignments>> C :: 172.398 CA :: 59.328 CB :: 72.762 CG2 :: 21.568 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 :: 6.576 HA :: 4.698 HB :: 4.337 HG2 :: 1.019 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 :: 107.119 Ave N Shift Values>> N :: 115.7(5.05) Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.59 C 0.4 C Shift Assignments>> CA :: 57.217 CB :: 40.076 CD1 :: 132.652 CD2 :: 132.652 CE1 :: 118.040 CE2 :: 118.040 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>> HA :: 4.535 HB2 :: 2.557 HB3 :: 2.914 HD1 :: 7.194 HD2 :: 7.194 HE1 :: 6.641 HE2 :: 6.641 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) P72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.98 C Shift Assignments>> CA :: 62.252 CB :: 37.425(S) CG :: 25.093 CD :: 51.356 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.489 HB2 :: 2.164 HB3 :: 2.722 HG2 :: 1.916 HG3 :: 1.816 HD2 :: 3.622 HD3 :: 4.092 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) Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.35 Q 0.05 E 0.04 C Shift Assignments>> C :: 173.570 CA :: 55.745 CB :: 33.994 CG :: 33.972 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.184 HA :: 4.518 HB2 :: 2.013 HB3 :: 2.091 HG2 :: 2.586 HG3 :: 2.099 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.244 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.2 L 0.19 R 0.05 C Shift Assignments>> C :: 173.506 CA :: 53.628 CB :: 45.127 CG :: 27.650 CD1 :: 24.354 CD2 :: 26.820 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 :: 8.507 HA :: 5.277 HB2 :: 1.715 HB3 :: 0.939 HG :: 1.309 HD1 :: 0.841 HD2 :: 0.613 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.643 Ave N Shift Values>> N :: 121.98(4.07) Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.36 C Shift Assignments>> C :: 174.475 CA :: 57.260 CB :: 41.812 CD1 :: 132.228 CD2 :: 132.228 CE1 :: 118.554 CE2 :: 118.554 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.843 HA :: 5.082 HB2 :: 3.274 HB3 :: 2.679 HD1 :: 6.973 HD2 :: 6.973 HE1 :: 6.778 HE2 :: 6.778 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 129.671 Ave N Shift Values>> N :: 120.79(4.69) V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.48 C Shift Assignments>> C :: 176.285 CA :: 60.785 CB :: 34.766 CG1 :: 21.844 CG2 :: 23.226 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.923 HA :: 5.069 HB :: 1.770 HG1 :: 1.028 HG2 :: 0.886 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 :: 118.853 Ave N Shift Values>> N :: 121.02(4.96) R77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 R 0.3 L 0.09 G 0.07 K 0.07 C Shift Assignments>> C :: 176.354 CA :: 57.509 CB :: 27.837 CG :: 28.741 CD :: 43.179 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 :: 10.437(S) HA :: 4.042 HB2 :: 1.897 HB3 :: 2.030 HG2 :: 1.620 HG3 :: 1.620 HD2 :: 3.227 HD3 :: 3.455 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 128.910 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.532 CA :: 45.454 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.349 HA2 :: 4.337 HA3 :: 3.390 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.071 Ave N Shift Values>> N :: 109.91(4.29) D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.2 R 0.15 C 0.11 K 0.07 G 0.05 N 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.191 CA :: 52.854 CB :: 42.900 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 :: 8.151 HA :: 5.143 HB2 :: 2.496 HB3 :: 2.623 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.138 Ave N Shift Values>> N :: 120.73(4.2) L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.28 A 0.16 R 0.1 C Shift Assignments>> C :: 176.807 CA :: 55.505 CB :: 41.402 CG :: 26.820 CD1 :: 21.568 CD2 :: 26.806 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 :: 8.631 HA :: 3.154 HB2 :: 0.980 HB3 :: 1.536 HG :: 0.498 HD1 :: 0.006 HD2 :: 0.490 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.643 Ave N Shift Values>> N :: 121.98(4.07) V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 175.394 CA :: 63.781 CB :: 32.705 CG1 :: 22.397 CG2 :: 20.738 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.108 HA :: 3.806 HB :: 1.518 HG1 :: 0.803 HG2 :: 0.610 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 :: 129.060 Ave N Shift Values>> N :: 121.02(4.96) G82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.33 L 0.27 G 0.16 C 0.09 D 0.04 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> CA :: 43.755 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.501 HA2 :: 3.892 HA3 :: 2.181(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 100.934 Ave N Shift Values>> N :: 109.91(4.29) G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 G 0.06 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 173.098 CA :: 43.268 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.218 HA2 :: 4.577 HA3 :: 3.839 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.551 Ave N Shift Values>> N :: 109.91(4.29) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.39 R 0.14 C Shift Assignments>> C :: 176.979 CA :: 58.640 CB :: 41.735 CG :: 27.373 CD1 :: 26.253 CD2 :: 22.950 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.801 HA :: 3.777 HB2 :: 1.281 HB3 :: 1.795 HG :: 1.524 HD1 :: 0.999 HD2 :: 0.826 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.920 Ave N Shift Values>> N :: 121.98(4.07) D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.18 I 0.12 L 0.04 D 0.04 K 0.02 E 0.01 C Shift Assignments>> C :: 179.220 CA :: 58.435 CB :: 39.800 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 :: 8.236 HA :: 4.223 HB2 :: 2.663 HB3 :: 2.663 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 :: 115.500 Ave N Shift Values>> N :: 120.73(4.2) I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.107 CA :: 63.818 CB :: 38.189 CG1 :: 29.910 CG2 :: 17.448 CD1 :: 13.535 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 :: 7.990 HA :: 3.939 HB :: 1.654 HG2 :: 0.831 HG12 :: 1.314 HG13 :: 1.660 HD1 :: 1.033 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 :: 120.529 Ave N Shift Values>> N :: 121.6(4.72) V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 HN Overlap>> K9 C Shift Assignments>> C :: 177.283 CA :: 67.723 CB :: 31.282 CG1 :: 21.829 CG2 :: 25.147 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 :: 7.828 HA :: 3.343 HB :: 1.991 HG1 :: 0.804 HG2 :: 0.777 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 :: 120.986 Ave N Shift Values>> N :: 121.02(4.96) K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.18 M 0.01 C Shift Assignments>> C :: 177.898 CA :: 60.258 CB :: 32.436 CG :: 25.700 CD :: 29.309 CE :: 41.864 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 :: 8.827 HA :: 3.798 HB2 :: 1.760 HB3 :: 1.942 HG2 :: 1.398 HG3 :: 1.514 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 2.993 HE3 :: 2.993 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 :: 119.158 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.3 I 0.21 K 0.08 Q 0.04 M 0.01 HN Overlap>> L11 C Shift Assignments>> C :: 179.050 CA :: 59.934 CB :: 29.294 CG :: 35.929 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 :: 7.565 HA :: 4.040 HB2 :: 2.107 HB3 :: 2.180 HG2 :: 2.200 HG3 :: 2.362 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.529 Ave N Shift Values>> N :: 120.68(3.68) L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.33 R 0.11 G 0.02 A 0.01 C Shift Assignments>> C :: 180.176 CA :: 57.204 CB :: 42.277 CG :: 26.530 CD1 :: 26.544 CD2 :: 22.673 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 :: 8.516 HA :: 4.168 HB2 :: 1.934 HB3 :: 0.842 HG :: 1.954 HD1 :: 0.624 HD2 :: 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 :: 118.570 Ave N Shift Values>> N :: 121.98(4.07) K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.24 M 0.02 C Shift Assignments>> C :: 180.011 CA :: 59.096 CB :: 31.491 CG :: 24.318 CD :: 29.018 CE :: 42.111 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 :: 8.468 HA :: 4.006 HB2 :: 2.212 HB3 :: 1.721 HG2 :: 1.481 HG3 :: 1.481 HD2 :: 1.498 HD3 :: 1.726 HE2 :: 2.991 HE3 :: 2.991 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.053 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 C 0.17 D 0.1 L 0.09 K 0.06 I 0.05 N 0.02 C Shift Assignments>> C :: 177.835 CA :: 57.272 CB :: 40.150 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 :: 8.644 HA :: 4.399 HB2 :: 2.667 HB3 :: 2.799 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 :: 122.053 Ave N Shift Values>> N :: 120.73(4.2) N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.18 C 0.16 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 176.241 CA :: 52.961 CB :: 38.762 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 :: 8.081 HA :: 4.794 HB2 :: 2.923 HB3 :: 2.923 HD21 :: 6.703 HD22 :: 7.546 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.612 ND2 :: 110.641 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 175.290 CA :: 46.711 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.824 HA2 :: 4.014 HA3 :: 4.165 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.337 Ave N Shift Values>> N :: 109.91(4.29) E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.3 M 0.24 Q 0.02 I 0.01 K 0.01 C Shift Assignments>> C :: 176.699 CA :: 56.111 CB :: 32.059 CG :: 36.206 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 :: 8.541 HA :: 4.313 HB2 :: 1.887 HB3 :: 2.255 HG2 :: 2.183 HG3 :: 2.183 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.396 Ave N Shift Values>> N :: 120.68(3.68) L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.22 R 0.13 A 0.02 C Shift Assignments>> C :: 176.902 CA :: 57.821 CB :: 41.221 CG :: 27.082 CD1 :: 21.829 CD2 :: 27.097 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 :: 7.406 HA :: 3.965 HB2 :: 1.802 HB3 :: 1.100 HG :: 1.430 HD1 :: 0.802 HD2 :: 0.691 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.138 Ave N Shift Values>> N :: 121.98(4.07) L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 L 0.16 C Shift Assignments>> C :: 175.841 CA :: 59.982 CB :: 38.694 CG :: 27.926 CD1 :: 24.594 CD2 :: 24.332 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 :: 8.841 HA :: 4.099 HB2 :: 1.783 HB3 :: 1.783 HG :: 1.682 HD1 :: 0.952 HD2 :: 0.990 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 :: 119.615 Ave N Shift Values>> N :: 121.98(4.07) P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> C :: 179.735 CA :: 66.402 CB :: 30.944 CG :: 27.889 CD :: 49.510 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.206 HB2 :: 1.833 HB3 :: 2.257 HG2 :: 1.936 HG3 :: 2.156 HD2 :: 3.445 HD3 :: 3.551 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) I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 179.028 CA :: 64.372 CB :: 38.137 CG1 :: 29.309 CG2 :: 16.534 CD1 :: 14.089 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 :: 7.133 HA :: 3.930 HB :: 2.088 HG2 :: 0.848 HG12 :: 1.743 HG13 :: 1.184 HD1 :: 0.859 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 :: 117.634 Ave N Shift Values>> N :: 121.6(4.72) L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.26 R 0.22 G 0.01 K 0.01 C Shift Assignments>> C :: 178.862 CA :: 58.159 CB :: 42.012 CG :: 26.238 CD1 :: 23.038 CD2 :: 27.373 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 :: 8.416 HA :: 3.968 HB2 :: 1.432 HB3 :: 2.083 HG :: 1.967 HD1 :: 0.751 HD2 :: 0.819 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 :: 119.462 Ave N Shift Values>> N :: 121.98(4.07) K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.39 R 0.18 M 0.01 C Shift Assignments>> C :: 177.642 CA :: 57.416 CB :: 33.227 CG :: 25.424 CD :: 29.039 CE :: 41.782 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 :: 8.374 HA :: 4.147 HB2 :: 1.923 HB3 :: 1.698 HG2 :: 1.397 HG3 :: 1.578 HD2 :: 1.624 HD3 :: 1.624 HE2 :: 2.906 HE3 :: 2.906 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 :: 115.043 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.298 CA :: 45.934 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.801 HA2 :: 3.860 HA3 :: 3.965 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.032 Ave N Shift Values>> N :: 109.91(4.29) E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.15 K 0.04 I 0.03 Q 0.02 HN Overlap>> E57 C Shift Assignments>> C :: 176.238 CA :: 56.127 CB :: 30.949 CG :: 36.438 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 :: 8.323 HA :: 4.340 HB2 :: 1.819 HB3 :: 2.095 HG2 :: 2.149 HG3 :: 2.259 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 :: 119.615 Ave N Shift Values>> N :: 120.68(3.68) S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.370 CA :: 58.203 CB :: 64.201 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.196 HA :: 4.419 HB2 :: 3.786 HB3 :: 3.786 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.957 Ave N Shift Values>> N :: 116.3(3.95) G105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.4 V 0.39 C 0.09 I 0.04 W 0.02 C Shift Assignments>> C :: 177.353 CA :: 63.244 CB :: 32.273 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) S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.728 CA :: 58.519 CB :: 63.993 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.565 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 :: 116.473 Ave N Shift Values>> N :: 116.3(3.95) S108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 104 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 100 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 109 #Suspicious: 0 C Shift Results: #Consistent: 450 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 599 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 101 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: K25 HE3 = 2.268(S), Expected = 2.93, Std = 0.2000, ChiSquare = 9.3296e-04 I52 CG2 = 22.673(S), Expected = 17.36, Std = 1.6000, ChiSquare = 8.9816e-04 P72 CB = 37.425(S), Expected = 31.81, Std = 1.5400, ChiSquare = 2.6625e-04 R77 H = 10.437(S), Expected = 8.24, Std = 0.6000, ChiSquare = 2.5058e-04 G82 HA3 = 2.181(S), Expected = 3.93, Std = 0.4000, ChiSquare = 1.2283e-05