S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 176.749 CA :: 55.413 CB :: 66.596 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.475 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) A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.04 L 0.02 HN Overlap>> A3 C Shift Assignments>> C :: 176.749 CA :: 52.013 CB :: 20.032 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.289 HA :: 4.492 HB :: 1.343 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.362 Ave N Shift Values>> N :: 123.23(3.7) A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.01 HN Overlap>> A2 C Shift Assignments>> CA :: 50.648 CB :: 18.433 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.245 HA :: 4.611 HB :: 1.400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.340 Ave N Shift Values>> N :: 123.23(3.7) P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.772 CA :: 62.871 CB :: 32.507 CG :: 27.373 CD :: 50.360 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 :: 4.447 HB2 :: 1.774 HB3 :: 2.296 HG2 :: 1.988 HG3 :: 2.366 HD2 :: 3.764 HD3 :: 3.666 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) L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.28 C 0.2 A 0.03 C Shift Assignments>> C :: 174.718 CA :: 54.667 CB :: 45.003 CD1 :: 26.217 CD2 :: 22.960 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 :: 8.076 HA :: 4.554 HB2 :: 1.393 HB3 :: 1.393 HG :: 1.395 HD1 :: 0.663 HD2 :: 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 :: 121.324 Ave N Shift Values>> N :: 121.98(4.07) C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 Q 0.14 W 0.12 H 0.12 E 0.11 C 0.11 R 0.11 I 0.05 L 0.03 C Shift Assignments>> C :: 174.026 CA :: 57.487 CB :: 28.617 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.811 HA :: 5.259 HB2 :: 2.752 HB3 :: 2.752 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.707 Ave N Shift Values>> N :: 119.95(4.79) V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.2 I 0.04 A 0.01 C Shift Assignments>> C :: 173.920 CA :: 59.046 CB :: 35.382 CG1 :: 22.575 CG2 :: 19.118 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 :: 8.613 HA :: 4.728 HB :: 1.971 HG1 :: 0.771 HG2 :: 0.473 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 :: 118.792 Ave N Shift Values>> N :: 121.02(4.96) K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.36 R 0.2 G 0.01 C Shift Assignments>> C :: 174.792 CA :: 55.401 CB :: 33.284 CG :: 25.041 CD :: 29.310 CE :: 42.184 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 :: 8.772 HA :: 4.877 HB2 :: 1.712 HB3 :: 1.844 HG2 :: 1.291 HG3 :: 1.368 HD2 :: 1.570 HD3 :: 1.618 HE2 :: 2.861 HE3 :: 2.861 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.367 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 HN Overlap>> K46 C Shift Assignments>> C :: 173.576 CA :: 60.282 CB :: 34.661 CG1 :: 23.064 CG2 :: 22.255 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 :: 8.615 HA :: 4.916 HB :: 1.616 HG1 :: 0.486 HG2 :: 0.760 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 :: 122.525 Ave N Shift Values>> N :: 121.02(4.96) E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 E 0.12 C Shift Assignments>> C :: 173.085 CA :: 52.985 CB :: 33.225 CG :: 36.846 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 :: 8.797 HA :: 5.557 HB2 :: 1.800 HB3 :: 1.741 HG2 :: 1.979 HG3 :: 2.106 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 :: 128.177 Ave N Shift Values>> N :: 120.68(3.68) F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 R 0.19 K 0.18 C 0.1 D 0.1 F 0.08 Y 0.06 G 0.01 C Shift Assignments>> C :: 176.156 CA :: 56.163 CB :: 42.491 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 :: 8.920 HA :: 5.730 HB2 :: 2.977 HB3 :: 2.673 HD1 :: 6.924 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 :: 122.619 Ave N Shift Values>> N :: 120.69(4.18) G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 179.833 CA :: 44.916 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.220 HA2 :: 3.988 HA3 :: 5.109 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.498 Ave N Shift Values>> N :: 109.91(4.29) G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 173.295 CA :: 46.366 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.135 HA2 :: 4.636 HA3 :: 4.033 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.041 Ave N Shift Values>> N :: 109.91(4.29) G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.21 R 0.17 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 177.489 CA :: 44.450 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.265 HA2 :: 3.464 HA3 :: 4.666 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.058 Ave N Shift Values>> N :: 109.91(4.29) A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 I 0.08 C 0.05 C Shift Assignments>> C :: 178.261 CA :: 54.867 CB :: 17.547 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.869 HA :: 4.170 HB :: 1.815 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.368 Ave N Shift Values>> N :: 123.23(3.7) E16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 Q 0.19 K 0.15 E 0.09 I 0.07 R 0.06 C Shift Assignments>> C :: 178.478 CA :: 58.920 CB :: 26.942 CG :: 34.451 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 :: 11.016(S) HA :: 4.016 HB2 :: 2.234 HB3 :: 1.548 HG2 :: 2.333 HG3 :: 2.035 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 :: 117.355 Ave N Shift Values>> N :: 120.68(3.68) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.46 A 0.03 R 0.01 C Shift Assignments>> C :: 178.040 CA :: 56.862 CB :: 40.308 CG :: 27.545 CD1 :: 24.912 CD2 :: 22.105 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 :: 7.696 HA :: 3.999 HB2 :: 1.577 HB3 :: 1.819 HG :: 1.644 HD1 :: 0.969 HD2 :: 0.875 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 :: 123.748 Ave N Shift Values>> N :: 121.98(4.07) L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.41 A 0.08 C Shift Assignments>> C :: 174.534 CA :: 54.877 CB :: 39.735 CG :: 26.989 CD1 :: 25.737 CD2 :: 22.468 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 :: 7.624 HA :: 3.939 HB2 :: 1.215 HB3 :: 0.876 HG :: 1.568 HD1 :: 0.762 HD2 :: 0.670 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 :: 117.858 Ave N Shift Values>> N :: 121.98(4.07) F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.2 F 0.19 D 0.12 N 0.1 L 0.05 I 0.04 E 0.03 C Shift Assignments>> C :: 176.986 CA :: 56.137 CB :: 39.018 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.191 HA :: 4.347 HB2 :: 2.563 HB3 :: 3.134 HD1 :: 6.447 HE1 :: 5.835 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 :: 118.349 Ave N Shift Values>> N :: 120.69(4.18) D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.15 F 0.14 C 0.13 Y 0.13 N 0.08 K 0.08 I 0.01 R 0.01 C Shift Assignments>> C :: 175.286 CA :: 55.433 CB :: 40.469 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.025 HA :: 4.446 HB2 :: 3.210 HB3 :: 2.578 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 :: 121.256 Ave N Shift Values>> N :: 120.73(4.2) G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 173.481 CA :: 45.688 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.806 HA2 :: 4.192 HA3 :: 3.077 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.624 Ave N Shift Values>> N :: 109.91(4.29) V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 176.287 CA :: 63.195 CB :: 31.493 CG1 :: 20.933 CG2 :: 21.147 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 :: 7.463 HA :: 3.912 HB :: 2.285 HG1 :: 1.041 HG2 :: 0.588 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 :: 122.416 Ave N Shift Values>> N :: 121.02(4.96) K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.32 K 0.24 G 0.01 C Shift Assignments>> C :: 176.447 CA :: 60.044 CB :: 34.341 CG :: 26.513 CD :: 29.620 CE :: 42.252 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 :: 8.425 HA :: 4.466 HB2 :: 2.199 HB3 :: 1.843 HG2 :: 1.664 HG3 :: 1.541 HD2 :: 1.902 HD3 :: 1.835 HE2 :: 2.956 HE3 :: 2.956 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.959 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.36 R 0.23 C Shift Assignments>> C :: 174.936 CA :: 56.631 CB :: 34.847 CG :: 25.476 CD :: 29.522 CE :: 41.917 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 :: 7.574 HA :: 4.905 HB2 :: 1.622 HB3 :: 1.749 HG2 :: 1.325 HG3 :: 1.207 HD2 :: 1.579 HD3 :: 1.614 HE2 :: 2.902 HE3 :: 2.902 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 :: 115.825 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.25 K 0.2 E 0.1 H 0.04 W 0.03 R 0.03 Y 0.01 V 0.01 N 0.01 C Shift Assignments>> C :: 174.474 CA :: 55.255 CB :: 34.244 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 :: 9.111 HA :: 4.506 HB2 :: 2.837 HB3 :: 2.837 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 :: 122.461 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.26 K 0.25 E 0.15 R 0.04 C Shift Assignments>> C :: 174.954 CA :: 55.683 CB :: 29.192 CG :: 34.174 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 :: 8.969 HA :: 4.712 HB2 :: 2.012 HB3 :: 1.960 HG3 :: 2.186 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.252 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V27 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 :: 172.907 CA :: 61.557 CB :: 33.888 CG1 :: 20.661 CG2 :: 20.587 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 :: 8.783 HA :: 4.119 HB :: 1.675 HG1 :: 0.647 HG2 :: 0.050 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 :: 126.534 Ave N Shift Values>> N :: 121.02(4.96) A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 175.848 CA :: 50.164 CB :: 18.579 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.132 HA :: 4.721 HB :: 1.206 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.646 Ave N Shift Values>> N :: 123.23(3.7) L29 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> A 0.79 C 0.19 C Shift Assignments>> CA :: 51.290 CB :: 39.698 CG :: 24.649 CD1 :: 19.930 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 :: 8.526 HA :: 3.895 HB2 :: -0.426(S) HB3 :: 0.805 HG :: -0.423(S) HD1 :: -1.243(M) 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 :: 126.271 Ave N Shift Values>> N :: 121.98(4.07) P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.28 C Shift Assignments>> C :: 176.788 CA :: 62.088 CB :: 32.579 CG :: 27.283 CD :: 50.314 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 :: 4.530 HB2 :: 2.290 HB3 :: 2.392 HG2 :: 2.360 HG3 :: 2.360 HD2 :: 3.646 HD3 :: 3.764 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) G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 175.397 CA :: 46.044 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.532 HA2 :: 4.107 HA3 :: 3.610 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.339 Ave N Shift Values>> N :: 109.91(4.29) Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.39 K 0.1 Q 0.06 I 0.02 HN Overlap>> F57 C Shift Assignments>> C :: 174.624 CA :: 54.765 CB :: 30.011 CG :: 36.242 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 :: 8.251 HA :: 4.744 HB2 :: 2.307 HB3 :: 1.870 HG2 :: 2.251 HG3 :: 2.251 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.744 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.17 K 0.05 Q 0.02 C Shift Assignments>> C :: 177.148 CA :: 59.328 CB :: 30.136 CG :: 36.293 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 :: 8.527 HA :: 4.029 HB2 :: 1.998 HB3 :: 1.944 HG2 :: 2.274 HG3 :: 2.274 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 :: 119.200 Ave N Shift Values>> N :: 120.68(3.68) E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.33 K 0.14 Q 0.08 I 0.02 C Shift Assignments>> CA :: 54.304 CB :: 29.168 CG :: 36.090 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 :: 7.886 HA :: 4.489 HB2 :: 1.815 HB3 :: 1.613 HG2 :: 2.164 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 :: 118.587 Ave N Shift Values>> N :: 120.68(3.68) P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.881 CA :: 62.817 CB :: 32.062 CG :: 27.767 CD :: 50.363 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 :: 1.655 HB3 :: 2.231 HG2 :: 2.029 HG3 :: 1.983 HD2 :: 3.799 HD3 :: 3.530 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) W36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.15 C 0.13 R 0.13 H 0.12 Q 0.11 K 0.09 I 0.05 V 0.02 C Shift Assignments>> C :: 175.852 CA :: 58.393 CB :: 29.909 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 :: 8.602 HA :: 4.466 HB2 :: 3.010 HB3 :: 3.010 HD1 :: 7.190 HE1 :: 10.235 HE3 :: 7.334 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 :: 123.403 NE1 :: 129.709 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) D37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.24 G 0.19 D 0.18 C 0.14 R 0.11 N 0.03 K 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.590 CA :: 51.476 CB :: 43.153 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 :: 8.142 HA :: 5.766(S) HB2 :: 3.285 HB3 :: 2.536 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 :: 124.121 Ave N Shift Values>> N :: 120.73(4.2) I38 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 177.481 CA :: 63.618 CB :: 34.852 CG1 :: 29.046 CG2 :: 17.843 CD1 :: 10.651 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 :: 7.914 HA :: 4.158 HB :: 2.834(M) HG2 :: 1.368 HG12 :: 1.995 HG13 :: 2.147 HD1 :: 1.020 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 :: 119.671 Ave N Shift Values>> N :: 121.6(4.72) R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.32 K 0.15 G 0.09 C Shift Assignments>> C :: 179.023 CA :: 61.265 CB :: 30.944 CG :: 29.023 CD :: 42.999 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.724 HA :: 4.017 HB2 :: 2.084 HB3 :: 2.191 HG2 :: 1.615 HG3 :: 1.742 HD2 :: 3.340 HD3 :: 3.448 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 :: 121.239 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.21 F 0.2 D 0.1 N 0.08 I 0.05 L 0.04 E 0.04 C Shift Assignments>> C :: 179.434 CA :: 56.436 CB :: 38.874 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 :: 9.133 HA :: 4.841 HB2 :: 3.085 HB3 :: 2.901 HD21 :: 8.040 HD22 :: 6.967 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 :: 117.616 ND2 :: 113.440 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.34 K 0.2 C Shift Assignments>> C :: 178.801 CA :: 58.743 CB :: 41.595 CG :: 26.835 CD2 :: 23.024 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 :: 9.388 HA :: 4.624 HB2 :: 2.709 HB3 :: 1.833 HG :: 1.095 HD1 :: 1.099 HD2 :: 0.844 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 :: 126.547 Ave N Shift Values>> N :: 121.98(4.07) L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 L 0.36 R 0.11 K 0.02 C Shift Assignments>> C :: 179.038 CA :: 59.148 CB :: 41.131 CG :: 27.622 CD1 :: 26.794 CD2 :: 23.467 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 :: 8.983 HA :: 4.150 HB2 :: 1.379 HB3 :: 2.320 HD1 :: 1.042 HD2 :: 0.817 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 :: 118.921 Ave N Shift Values>> N :: 121.98(4.07) V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 177.666 CA :: 67.074 CB :: 31.782 CG1 :: 21.587 CG2 :: 22.517 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 :: 7.224 HA :: 3.656 HB :: 2.558 HG1 :: 1.114 HG2 :: 1.243 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 :: 118.840 Ave N Shift Values>> N :: 121.02(4.96) W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 P 0.19 V 0.14 C 0.11 W 0.06 E 0.01 R 0.01 H 0.01 C Shift Assignments>> C :: 180.389 CA :: 63.279 CB :: 29.413 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 :: 8.376 HA :: 4.087 HB2 :: 3.879 HB3 :: 3.660 HD1 :: 7.312 HE1 :: 10.213 HE3 :: 7.006 HZ2 :: 6.840 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.777 NE1 :: 128.727 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 178.441 CA :: 66.596 CB :: 38.575 CG1 :: 29.788 CG2 :: 18.189 CD1 :: 14.989 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 :: 9.683 HA :: 3.568 HB :: 2.313 HG2 :: 0.962 HG12 :: 2.539 HG13 :: 1.169 HD1 :: 0.997 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 :: 120.566 Ave N Shift Values>> N :: 121.6(4.72) K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.16 G 0.01 HN Overlap>> V9 C Shift Assignments>> C :: 176.790 CA :: 59.846 CB :: 32.256 CG :: 24.862 CD :: 29.891 CE :: 41.989 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 :: 8.664 HA :: 3.978 HB2 :: 2.177 HB3 :: 2.018 HG2 :: 1.541 HG3 :: 1.470 HD2 :: 1.705 HD3 :: 1.775 HE2 :: 2.960 HE3 :: 2.960 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 :: 122.578 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.38 R 0.21 G 0.01 C Shift Assignments>> C :: 177.817 CA :: 58.366 CB :: 33.804 CG :: 25.385 CD :: 29.234 CE :: 42.147 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 :: 7.815 HA :: 4.104 HB2 :: 1.684 HB3 :: 1.684 HG2 :: 1.528 HG3 :: 1.341 HD2 :: 1.668 HD3 :: 1.617 HE2 :: 2.944 HE3 :: 2.944 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 :: 114.997 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.16 C 0.12 F 0.12 Y 0.11 K 0.1 N 0.09 R 0.01 I 0.01 C Shift Assignments>> C :: 174.617 CA :: 55.123 CB :: 40.663 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 :: 7.882 HA :: 4.553 HB2 :: 1.801 HB3 :: 1.801 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 :: 112.414 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.29 C 0.26 A 0.03 C Shift Assignments>> C :: 176.176 CA :: 55.221 CB :: 45.863 CG :: 27.103 CD1 :: 24.549 CD2 :: 22.836 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 :: 8.117 HA :: 4.688 HB2 :: 1.615 HB3 :: 1.698 HG :: 1.623 HD1 :: 0.771 HD2 :: 0.810 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 :: 117.547 Ave N Shift Values>> N :: 121.98(4.07) L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.3 R 0.07 G 0.06 C Shift Assignments>> C :: 176.198 CA :: 56.432 CB :: 43.124 CG :: 26.879 CD1 :: 24.679 CD2 :: 24.682 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 :: 7.312 HA :: 3.496 HB2 :: 1.933 HB3 :: 1.100 HG :: 1.339 HD1 :: 0.340 HD2 :: 0.690 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 :: 119.751 Ave N Shift Values>> N :: 121.98(4.07) K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.26 G 0.01 C Shift Assignments>> C :: 176.379 CA :: 55.455 CB :: 32.925 CG :: 23.735 CD :: 28.078 CE :: 42.397 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 :: 8.028 HA :: 4.365 HB2 :: 1.789 HB3 :: 1.721 HG2 :: 1.409 HG3 :: 1.377 HD2 :: 1.759 HD3 :: 1.598 HE2 :: 2.947 HE3 :: 2.947 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.112 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 E 0.22 Q 0.01 C Shift Assignments>> C :: 173.668 CA :: 54.657 CB :: 33.221 CG :: 36.141 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 :: 6.920 HA :: 4.457 HB2 :: 2.171 HB3 :: 1.571 HG2 :: 2.261 HG3 :: 2.163 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 :: 117.508 Ave N Shift Values>> N :: 120.68(3.68) R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.32 G 0.1 K 0.07 L 0.06 C Shift Assignments>> CA :: 55.282 CB :: 29.504 CG :: 27.158 CD :: 43.527 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 :: 8.706 HA :: 4.245 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 1.700 HG3 :: 1.700 HD2 :: 3.224 HD3 :: 3.224 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 :: 115.834 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 178.183 CA :: 65.365 CB :: 31.167 CG :: 27.583 CD :: 50.721 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 :: 4.204 HB2 :: 2.069 HB3 :: 2.125 HG2 :: 2.125 HG3 :: 2.040 HD2 :: 3.610 HD3 :: 3.831 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) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.22 K 0.13 I 0.13 Q 0.09 R 0.01 C Shift Assignments>> C :: 177.239 CA :: 58.277 CB :: 27.555 CG :: 35.630 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.829 HA :: 4.625 HB2 :: 2.152 HB3 :: 2.083 HG2 :: 2.147 HG3 :: 2.428 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 :: 118.335 Ave N Shift Values>> N :: 120.68(3.68) L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.34 R 0.11 A 0.06 C Shift Assignments>> C :: 175.397 CA :: 55.784 CB :: 41.458 CG :: 27.792 CD1 :: 25.616 CD2 :: 22.089 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 :: 7.910 HA :: 4.285 HB2 :: 1.624 HB3 :: 1.917 HG :: 1.598 HD1 :: 1.071 HD2 :: 0.834 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 :: 119.843 Ave N Shift Values>> N :: 121.98(4.07) F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 R 0.19 C 0.18 L 0.11 F 0.04 Y 0.03 HN Overlap>> Q32 C Shift Assignments>> C :: 172.915 CA :: 58.782 CB :: 44.616 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 :: 8.252 HA :: 4.829 HB2 :: 2.894 HB3 :: 2.745 HD1 :: 7.066 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 :: 118.766 Ave N Shift Values>> N :: 120.69(4.18) I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.43 A 0.02 C Shift Assignments>> C :: 175.863 CA :: 58.571 CB :: 40.925 CG1 :: 27.683 CG2 :: 17.975 CD1 :: 13.272 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 :: 8.507 HA :: 4.448 HB :: 1.639 HG2 :: 0.782 HG12 :: 1.211 HG13 :: 1.371 HD1 :: 0.842 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 :: 118.494 Ave N Shift Values>> N :: 121.6(4.72) Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Q 0.26 E 0.19 K 0.06 C Shift Assignments>> C :: 175.016 CA :: 55.335 CB :: 31.931 CG :: 34.189 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 :: 8.335 HA :: 4.437 HB2 :: 1.924 HB3 :: 1.760 HG2 :: 2.197 HG3 :: 2.235 HE21 :: 7.597 HE22 :: 6.872 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 :: 126.488 NE2 :: 111.477 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.19 L 0.03 A 0.01 C Shift Assignments>> CA :: 47.086 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.158 HA2 :: 3.625 HA3 :: 4.004 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.740 Ave N Shift Values>> N :: 109.91(4.29) D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.52 N 0.27 C 0.19 C Shift Assignments>> C :: 173.923 CA :: 53.659 CB :: 41.596 CG :: 176.989 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 :: 8.712 HA :: 4.553 HB2 :: 2.778 HB3 :: 2.735 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.931 Ave N Shift Values>> N :: 120.73(4.2) S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.01 C Shift Assignments>> C :: 175.587 CA :: 54.067 CB :: 65.150 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.703 HA :: 4.960 HB2 :: 4.015 HB3 :: 3.812 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 :: 112.108 Ave N Shift Values>> N :: 116.3(3.95) V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.24 I 0.02 C Shift Assignments>> C :: 176.663 CA :: 59.982 CB :: 33.293 CG1 :: 18.556 CG2 :: 23.146 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 :: 8.195 HA :: 4.491 HB :: 1.934 HG1 :: 0.801 HG2 :: 0.566 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 :: 111.176 Ave N Shift Values>> N :: 121.02(4.96) R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.31 G 0.16 K 0.08 L 0.07 C Shift Assignments>> CA :: 54.538 CB :: 29.764 CG :: 25.944 CD :: 43.835 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 :: 7.753 HA :: 4.164 HB2 :: 1.866 HB3 :: 2.305 HG2 :: 1.485 HG3 :: 1.552 HD2 :: 3.192 HD3 :: 2.973 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.767 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.316 CA :: 64.146 CB :: 31.514 CG :: 28.124 CD :: 50.672 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 :: 4.406 HB2 :: 1.841 HB3 :: 2.352 HG2 :: 2.071 HG3 :: 2.155 HD2 :: 3.819 HD3 :: 3.610 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) G66 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 :: 174.561 CA :: 44.559 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.874 HA2 :: 3.548 HA3 :: 4.415 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.328 Ave N Shift Values>> N :: 109.91(4.29) I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 174.790 CA :: 60.175 CB :: 37.134 CG1 :: 27.963 CG2 :: 17.333 CD1 :: 12.251 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 :: 7.897 HA :: 4.819 HB :: 2.063 HG2 :: 0.899 HG12 :: 1.240 HG13 :: 1.600 HD1 :: 1.055 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.573 Ave N Shift Values>> N :: 121.6(4.72) L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.21 G 0.05 R 0.05 A 0.04 C Shift Assignments>> C :: 175.501 CA :: 53.888 CB :: 42.927 CG :: 26.929 CD1 :: 24.948 CD2 :: 23.051 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 :: 9.191 HA :: 4.496 HB2 :: 1.528 HB3 :: 1.620 HG :: 1.664 HD1 :: 0.338 HD2 :: 0.866 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 :: 129.540 Ave N Shift Values>> N :: 121.98(4.07) V69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 174.833 CA :: 60.782 CB :: 31.947 CG1 :: 20.362 CG2 :: 20.139 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 :: 7.228 HA :: 4.394 HB :: -0.105(S) HG1 :: -0.130(S) HG2 :: -0.233(S) 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 :: 120.593 Ave N Shift Values>> N :: 121.02(4.96) L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.34 C 0.19 R 0.05 C Shift Assignments>> C :: 176.163 CA :: 53.108 CB :: 44.592 CG :: 28.175 CD1 :: 25.155 CD2 :: 24.509 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 :: 8.907 HA :: 5.063 HB2 :: 0.923 HB3 :: 1.593 HG :: 1.387 HD1 :: 0.710 HD2 :: 0.660 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 :: 127.514 Ave N Shift Values>> N :: 121.98(4.07) I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 176.049 CA :: 59.821 CB :: 38.755 CG1 :: 27.332 CG2 :: 16.887 CD1 :: 14.995 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 :: 9.320 HA :: 4.406 HB :: 1.356 HG2 :: 0.305 HG12 :: 0.620 HG13 :: 1.250 HD1 :: 0.548 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.390 Ave N Shift Values>> N :: 121.6(4.72) N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.22 E 0.15 Y 0.14 F 0.08 D 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 174.987 CA :: 54.909 CB :: 37.216 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 :: 9.763 HA :: 4.291 HB2 :: 3.037 HB3 :: 2.748 HD21 :: 7.448 HD22 :: 7.393 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 :: 128.221 ND2 :: 117.731 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.21 C 0.17 D 0.13 L 0.1 K 0.04 I 0.04 N 0.04 C Shift Assignments>> C :: 173.903 CA :: 56.799 CB :: 40.002 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 :: 8.874 HA :: 3.980 HB2 :: 2.859 HB3 :: 2.980 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 :: 108.488 Ave N Shift Values>> N :: 120.73(4.2) A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 C 0.08 L 0.06 C Shift Assignments>> C :: 176.137 CA :: 50.554 CB :: 21.133 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.953 HA :: 4.701 HB :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.754 Ave N Shift Values>> N :: 123.23(3.7) D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.18 D 0.14 R 0.14 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> C :: 178.648 CA :: 55.491 CB :: 42.198 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 :: 8.551 HA :: 4.521 HB2 :: 2.880 HB3 :: 2.713 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 :: 122.994 Ave N Shift Values>> N :: 120.73(4.2) W76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.16 C 0.13 R 0.13 W 0.12 K 0.11 Q 0.09 E 0.09 H 0.07 L 0.03 C Shift Assignments>> C :: 177.848 CA :: 59.281 CB :: 28.083 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 :: 8.793 HA :: 4.364 HB2 :: 2.869 HB3 :: 3.404 HD1 :: 7.262 HE1 :: 10.487 HE3 :: 7.800 HZ2 :: 7.184 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 :: 125.440 NE1 :: 131.060 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.28 K 0.05 Q 0.01 C Shift Assignments>> C :: 179.136 CA :: 59.546 CB :: 29.160 CG :: 36.781 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.526 HA :: 3.881 HB2 :: 2.050 HB3 :: 2.050 HG2 :: 2.166 HG3 :: 2.457 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 :: 126.638 Ave N Shift Values>> N :: 120.68(3.68) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.31 R 0.12 A 0.03 C Shift Assignments>> C :: 178.239 CA :: 55.915 CB :: 41.948 CG :: 27.457 CD1 :: 25.505 CD2 :: 22.595 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 :: 8.154 HA :: 4.348 HB2 :: 1.700 HB3 :: 1.974 HG :: 1.780 HD1 :: 1.069 HD2 :: 0.937 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 :: 118.078 Ave N Shift Values>> N :: 121.98(4.07) L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.33 C 0.19 A 0.04 R 0.02 C Shift Assignments>> C :: 176.718 CA :: 54.377 CB :: 44.792 CG :: 26.486 CD1 :: 26.486 CD2 :: 22.909 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 :: 7.270 HA :: 4.661 HB2 :: 1.344 HB3 :: 2.082 HG :: 1.384 HD1 :: 0.662 HD2 :: 0.851 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 :: 117.648 Ave N Shift Values>> N :: 121.98(4.07) G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 174.335 CA :: 44.948 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.508 HA2 :: 3.624 HA3 :: 4.347 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.358 Ave N Shift Values>> N :: 109.91(4.29) E81 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.34 K 0.18 E 0.18 Q 0.17 I 0.07 R 0.03 C Shift Assignments>> C :: 175.659 CA :: 58.299 CB :: 27.692 CG :: 34.948 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 :: 8.167 HA :: 2.685(S) HB2 :: 0.952(S) HB3 :: 1.412 HG2 :: 1.164(S) HG3 :: 0.146(M) 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 :: 120.190 Ave N Shift Values>> N :: 120.68(3.68) L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.3 G 0.12 R 0.08 HN Overlap>> L86 C Shift Assignments>> C :: 174.978 CA :: 57.827 CB :: 43.528 CG :: 26.242 CD1 :: 26.242 CD2 :: 23.589 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 :: 7.682 HA :: 4.039 HB2 :: 1.853 HB3 :: 1.378 HG :: 0.982 HD1 :: 0.982 HD2 :: 1.311 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 :: 121.855 Ave N Shift Values>> N :: 121.98(4.07) D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.23 K 0.15 C 0.1 R 0.07 F 0.07 Y 0.05 N 0.05 C Shift Assignments>> C :: 176.865 CA :: 54.374 CB :: 41.759 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 :: 7.720 HA :: 4.709 HB2 :: 2.951 HB3 :: 2.590 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 :: 111.805 Ave N Shift Values>> N :: 120.73(4.2) Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 C 0.26 Y 0.17 E 0.14 F 0.1 V 0.02 K 0.01 C Shift Assignments>> C :: 174.473 CA :: 60.337 CB :: 36.915 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 :: 7.597 HA :: 4.171 HB2 :: 3.056 HB3 :: 2.862 HD1 :: 7.087 HE1 :: 7.178 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.398 Ave N Shift Values>> N :: 120.79(4.69) Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.28 K 0.23 E 0.1 R 0.06 C Shift Assignments>> C :: 174.315 CA :: 54.970 CB :: 27.771 CG :: 34.328 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 :: 7.623 HA :: 4.319 HB2 :: 1.858 HB3 :: 1.720 HG2 :: 2.120 HG3 :: 2.586 HE21 :: 7.736 HE22 :: 6.816 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 :: 126.764 NE2 :: 111.617 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 C 0.3 L 0.25 G 0.09 K 0.02 HN Overlap>> L82 C Shift Assignments>> C :: 175.779 CA :: 55.479 CB :: 43.360 CG :: 27.909 CD1 :: 24.512 CD2 :: 27.392 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 :: 7.608 HA :: 4.083 HB2 :: 1.550 HB3 :: 1.211 HG :: 1.622 HD1 :: 1.074 HD2 :: 0.869 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 :: 121.855 Ave N Shift Values>> N :: 121.98(4.07) Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Q 0.3 K 0.11 E 0.08 R 0.01 C Shift Assignments>> C :: 174.885 CA :: 52.741 CB :: 31.076 CG :: 33.791 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 :: 8.749 HA :: 4.430 HB2 :: 2.023 HB3 :: 2.086 HG2 :: 2.372 HG3 :: 2.491 HE21 :: 7.222 HE22 :: 6.829 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.093 NE2 :: 114.176 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.18 F 0.13 C 0.11 R 0.11 Y 0.1 D 0.09 I 0.01 C Shift Assignments>> C :: 177.477 CA :: 56.898 CB :: 41.830 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 :: 8.563 HA :: 4.291 HB2 :: 2.705 HB3 :: 2.510 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.657 Ave N Shift Values>> N :: 120.73(4.2) Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.35 R 0.12 Q 0.1 V 0.01 C Shift Assignments>> C :: 175.266 CA :: 57.486 CB :: 25.486 CG :: 33.208 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 :: 9.302 HA :: 3.616 HB2 :: 2.438 HB3 :: 2.340 HG2 :: 2.238 HG3 :: 2.328 HE21 :: 6.696 HE22 :: 7.692 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 :: 116.496 NE2 :: 113.581 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.16 C 0.1 D 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> C :: 174.875 CA :: 56.298 CB :: 42.212 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.237 HA :: 4.774 HB2 :: 2.926 HB3 :: 2.350 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 :: 121.078 Ave N Shift Values>> N :: 120.73(4.2) S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.320 CA :: 55.983 CB :: 64.279 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.261 HA :: 5.292 HB2 :: 3.667 HB3 :: 3.827 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.447 Ave N Shift Values>> N :: 116.3(3.95) I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 173.108 CA :: 59.601 CB :: 39.176 CG1 :: 28.528 CG2 :: 19.675 CD1 :: 14.386 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 :: 9.136 HA :: 4.651 HB :: 1.677 HG2 :: 0.173 HG12 :: 1.078 HG13 :: 1.121 HD1 :: 0.710 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 :: 128.291 Ave N Shift Values>> N :: 121.6(4.72) L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.2 C 0.16 A 0.05 R 0.03 C Shift Assignments>> C :: 173.621 CA :: 52.995 CB :: 45.123 CG :: 27.871 CD1 :: 26.226 CD2 :: 22.934 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 :: 8.907 HA :: 4.969 HB2 :: 1.235 HB3 :: 1.550 HG :: 1.247 HD1 :: 0.736 HD2 :: 0.619 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.115 Ave N Shift Values>> N :: 121.98(4.07) F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.18 D 0.18 K 0.17 F 0.12 C 0.11 Y 0.1 R 0.04 N 0.03 I 0.01 C Shift Assignments>> C :: 175.015 CA :: 55.816 CB :: 41.216 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 :: 8.779 HA :: 5.426 HB2 :: 3.423 HB3 :: 2.889 HD1 :: 6.899 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 :: 122.469 Ave N Shift Values>> N :: 120.69(4.18) I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 A 0.01 C Shift Assignments>> C :: 175.949 CA :: 58.794 CB :: 41.203 CG1 :: 27.162 CG2 :: 17.051 CD1 :: 13.173 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 :: 9.095 HA :: 4.603 HB :: 1.691 HG2 :: 0.825 HG12 :: 0.909 HG13 :: 1.369 HD1 :: 0.782 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.608 Ave N Shift Values>> N :: 121.6(4.72) S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.895 CA :: 58.091 CB :: 63.919 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.116 HA :: 4.948 HB2 :: 4.000 HB3 :: 3.870 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 :: 119.668 Ave N Shift Values>> N :: 116.3(3.95) T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.799 CA :: 61.628 CB :: 70.100 CG2 :: 21.242 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 :: 8.127 HA :: 4.678 HB :: 4.460 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 :: 116.096 Ave N Shift Values>> N :: 115.7(5.05) L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.3 R 0.08 G 0.02 A 0.01 C Shift Assignments>> C :: 177.189 CA :: 55.784 CB :: 42.500 CG :: 27.192 CD1 :: 24.746 CD2 :: 23.549 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 :: 8.190 HA :: 4.371 HB2 :: 1.547 HB3 :: 1.547 HG :: 1.595 HD1 :: 0.916 HD2 :: 0.908 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 :: 122.618 Ave N Shift Values>> N :: 121.98(4.07) H99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 H 0.15 W 0.14 E 0.14 C 0.14 Q 0.12 K 0.08 I 0.01 V 0.01 C Shift Assignments>> C :: 175.594 CA :: 56.558 CB :: 30.606 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.516 HA :: 4.686 HB2 :: 3.269 HB3 :: 3.152 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.764 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.647 CA :: 45.599 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.351 HA2 :: 3.957 HA3 :: 3.957 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.707 Ave N Shift Values>> N :: 109.91(4.29) G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.06 C Shift Assignments>> CA :: 46.170 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.924 HA2 :: 3.779 HA3 :: 3.779 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.296 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 95 #Clerical: 0 #Suspicious: 3 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 101 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 101 #Suspicious: 0 C Shift Results: #Consistent: 419 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 570 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 3 N Shift Results: #Consistent: 104 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: E16 H = 11.016(S), Expected = 8.34, Std = 0.6100, ChiSquare = 1.1499e-05 L29 HB2 = -0.426(S), Expected = 1.63, Std = 0.3400, ChiSquare = 1.4751e-09 L29 HG = -0.423(S), Expected = 1.54, Std = 0.3300, ChiSquare = 2.7064e-09 L29 HD1 = -1.243(M), Expected = 0.77, Std = 0.2700, ChiSquare = 8.9490e-14 D37 HA = 5.766(S), Expected = 4.61, Std = 0.3100, ChiSquare = 1.9222e-04 I38 HB = 2.834(M), Expected = 1.80, Std = 0.3100, ChiSquare = 8.5151e-04 V69 HB = -0.105(S), Expected = 1.99, Std = 0.3300, ChiSquare = 2.1745e-10 V69 HG1 = -0.130(S), Expected = 0.84, Std = 0.2700, ChiSquare = 3.2740e-04 V69 HG2 = -0.233(S), Expected = 0.83, Std = 0.2900, ChiSquare = 2.4684e-04 E81 HA = 2.685(S), Expected = 4.26, Std = 0.4300, ChiSquare = 2.4948e-04 E81 HB2 = 0.952(S), Expected = 2.04, Std = 0.2200, ChiSquare = 7.5966e-07 E81 HG2 = 1.164(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.8386e-08 E81 HG3 = 0.146(M), Expected = 2.31, Std = 0.2100, ChiSquare = 6.7058e-25