M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.81 M 0.13 C 0.02 L 0.01 C Shift Assignments>> C :: 173.432 CA :: 51.628 CB :: 19.714 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.154 HB :: 1.448 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.149 CA :: 61.456 CB :: 38.165 CG1 :: 28.145 CG2 :: 17.177 CD1 :: 13.484 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 :: 8.634 HA :: 4.565 HB :: 1.621 HG2 :: 0.628 HG12 :: 0.771 HG13 :: 1.562 HD1 :: 0.707 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 :: 122.937 Ave N Shift Values>> N :: 121.6(4.72) V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 174.405 CA :: 60.930 CB :: 35.320 CG1 :: 20.676 CG2 :: 20.676 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 :: 8.941 HA :: 4.332 HB :: 1.996 HG1 :: 0.843 HG2 :: 0.891 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.424 Ave N Shift Values>> N :: 121.02(4.96) K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.45 M 0.04 G 0.01 C Shift Assignments>> C :: 175.670 CA :: 55.996 CB :: 33.298 CG :: 25.295 CD :: 29.792 CE :: 42.281 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 :: 8.584 HA :: 4.828 HB2 :: 1.818 HG2 :: 1.274 HG3 :: 1.574 HD2 :: 1.752 HE2 :: 2.988 HE3 :: 3.066 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 :: 126.221 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.25 A 0.17 M 0.06 K 0.05 P 0.04 C Shift Assignments>> C :: 174.350 CA :: 50.174 CB :: 23.325 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.857 HA :: 4.756 HB :: 1.237 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.167 Ave N Shift Values>> N :: 123.23(3.7) T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 T 0.31 A 0.02 C Shift Assignments>> C :: 175.722 CA :: 59.124 CB :: 73.695 CG2 :: 21.534 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 :: 7.997 HA :: 4.712 HB :: 4.796 HG2 :: 1.250 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 :: 108.168 Ave N Shift Values>> N :: 115.7(5.05) D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.2 Y 0.15 C 0.14 L 0.14 D 0.07 I 0.04 C Shift Assignments>> C :: 178.361 CA :: 57.762 CB :: 41.400 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 :: 8.860 HA :: 4.453 HB2 :: 2.771 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 :: 120.132 Ave N Shift Values>> N :: 120.73(4.2) Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.22 E 0.18 I 0.04 M 0.02 C Shift Assignments>> C :: 177.294 CA :: 58.464 CB :: 28.811 CG :: 34.422 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.084 HA :: 4.269 HB2 :: 2.091 HG2 :: 2.488 HG3 :: 2.574 HE21 :: 7.654 HE22 :: 6.969 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 :: 115.921 NE2 :: 112.812 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 175.521 CA :: 58.411 CB :: 66.065 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.836 HA :: 4.819 HB2 :: 3.760 HB3 :: 4.389 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.056 Ave N Shift Values>> N :: 116.3(3.95) F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.11 F 0.08 Y 0.06 C Shift Assignments>> C :: 178.386 CA :: 64.528 CB :: 39.135 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 :: 8.567 HA :: 3.637 HB2 :: 3.058 HB3 :: 3.156 HD1 :: 6.861 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 :: 124.006 Ave N Shift Values>> N :: 120.69(4.18) S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.24 V 0.24 I 0.2 P 0.14 C 0.03 F 0.03 Y 0.02 W 0.02 S 0.02 C Shift Assignments>> C :: 176.383 CA :: 62.304 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.391 HA :: 3.986 HB2 :: 3.876 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 :: 115.900 Ave N Shift Values>> N :: 116.3(3.95) A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.03 C 0.03 C Shift Assignments>> C :: 181.233 CA :: 54.911 CB :: 18.223 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.229 HA :: 4.150 HB :: 1.471 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.338 Ave N Shift Values>> N :: 123.23(3.7) E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.25 Q 0.17 M 0.15 K 0.11 I 0.01 C Shift Assignments>> C :: 178.505 CA :: 57.162 CB :: 30.543 CG :: 34.929 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 :: 8.247 HA :: 4.250 HB2 :: 1.846 HB3 :: 1.691 HG2 :: 2.096 HG3 :: 2.471 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 :: 114.328 Ave N Shift Values>> N :: 120.68(3.68) T15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.748 CA :: 61.301 CB :: 69.657 CG2 :: 19.502 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 :: 7.351 HA :: 4.314 HB :: 4.120 HG2 :: 0.160(S) 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 :: 104.191 Ave N Shift Values>> N :: 115.7(5.05) S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.173 CA :: 61.447 CB :: 64.104 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.151 HA :: 4.050 HB2 :: 3.941 HB3 :: 4.044 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 :: 115.770 Ave N Shift Values>> N :: 116.3(3.95) E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.26 E 0.14 Q 0.01 C Shift Assignments>> C :: 176.128 CA :: 54.911 CB :: 33.481 CG :: 36.130 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 :: 7.612 HA :: 4.781 HB2 :: 1.922 HB3 :: 1.771 HG2 :: 2.152 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 :: 117.786 Ave N Shift Values>> N :: 120.68(3.68) G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.13 C 0.09 F 0.01 C Shift Assignments>> C :: 173.693 CA :: 45.017 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.765 HA2 :: 4.031 HA3 :: 3.919 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.121 Ave N Shift Values>> N :: 109.91(4.29) V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 175.361 CA :: 62.554 CB :: 31.621 CG1 :: 22.527 CG2 :: 21.044 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 :: 8.520 HA :: 5.019 HB :: 2.059 HG1 :: 1.030 HG2 :: 0.807 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.416 Ave N Shift Values>> N :: 121.02(4.96) V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.24 C Shift Assignments>> C :: 173.679 CA :: 59.439 CB :: 36.391 CG1 :: 22.288 CG2 :: 21.640 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 :: 9.130 HA :: 5.123 HB :: 1.801 HG1 :: 0.788 HG2 :: 0.671 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 :: 129.231 Ave N Shift Values>> N :: 121.02(4.96) L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.14 L 0.13 C Shift Assignments>> C :: 173.792 CA :: 52.728 CB :: 45.315 CD1 :: 24.533 CD2 :: 26.547 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 :: 8.906 HA :: 5.324 HB2 :: 1.894 HB3 :: 1.168 HG :: 1.343 HD1 :: 0.751 HD2 :: 0.694 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 :: 127.876 Ave N Shift Values>> N :: 121.98(4.07) A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 C 0.08 M 0.07 L 0.05 G 0.01 C Shift Assignments>> C :: 174.958 CA :: 49.705 CB :: 21.228 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.793 HA :: 5.335 HB :: 1.167 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.179 Ave N Shift Values>> N :: 123.23(3.7) D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.31 C 0.12 L 0.09 F 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 173.898 CA :: 52.249 CB :: 40.239 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 :: 9.227 HA :: 5.162 HB2 :: 2.782 HB3 :: 2.123 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 :: 121.245 Ave N Shift Values>> N :: 120.73(4.2) F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 C 0.22 I 0.1 E 0.05 D 0.04 L 0.02 N 0.02 C Shift Assignments>> C :: 173.907 CA :: 57.667 CB :: 38.810 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 :: 9.099 HA :: 5.189 HB2 :: 3.425 HB3 :: 2.663 HD1 :: 7.186 HE1 :: 7.231 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 :: 127.745 Ave N Shift Values>> N :: 120.69(4.18) W25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.2 K 0.18 Q 0.16 H 0.08 W 0.06 E 0.03 V 0.01 C Shift Assignments>> C :: 171.268 CA :: 54.903 CB :: 33.014 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 :: 8.604 HA :: 5.073 HB2 :: 3.156 HB3 :: 2.890 HD1 :: 6.971 HE1 :: 10.387 HE3 :: 7.237 HZ2 :: 7.544 HH2 :: 7.210 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 :: 121.871 NE1 :: 130.322 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) A26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.82 M 0.11 C 0.03 L 0.01 C Shift Assignments>> CA :: 51.089 CB :: 20.156 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.561 HA :: 3.519 HB :: 0.379(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.744 Ave N Shift Values>> N :: 123.23(3.7) P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.3 C Shift Assignments>> C :: 175.659 CA :: 65.605 CB :: 32.219 CG :: 27.664 CD :: 51.479 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 :: 4.403 HB2 :: 2.482 HB3 :: 2.047 HG2 :: 1.888 HG3 :: 2.084 HD2 :: 2.994 HD3 :: 3.395 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) W28 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.19 Q 0.17 K 0.15 C 0.15 W 0.11 E 0.08 L 0.05 M 0.04 C Shift Assignments>> C :: 176.040 CA :: 54.085 CB :: 28.929 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 :: 6.320 HA :: 4.619 HB2 :: 3.666 HB3 :: 3.191 HD1 :: 7.392 HE1 :: 11.687 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 :: 110.906 NE1 :: 136.525(M) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.29 C 0.14 D 0.04 F 0.01 Y 0.01 C Shift Assignments>> C :: 174.840 CA :: 54.144 CB :: 44.616 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.914 HA :: 4.624 HB2 :: 3.075 HB3 :: 2.862 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 :: 121.534 Ave N Shift Values>> N :: 119.95(4.79) G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.6 A 0.12 C 0.1 N 0.06 G 0.04 D 0.02 C Shift Assignments>> CA :: 48.871 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.752 HA2 :: 4.066 HA3 :: 4.320 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 122.035 Ave N Shift Values>> N :: 109.91(4.29) P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 178.128 CA :: 65.033 CB :: 31.761 CG :: 28.284 CD :: 51.560 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 :: 4.528 HB2 :: 2.638 HB3 :: 1.794 HG2 :: 2.175 HG3 :: 2.376 HD2 :: 3.891 HD3 :: 4.070 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) C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 I 0.22 C 0.21 P 0.08 Y 0.02 E 0.02 F 0.01 HN Overlap>> G89 C Shift Assignments>> C :: 176.573 CA :: 63.377 CB :: 35.208 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.268 HA :: 4.512 HB2 :: 3.468 HB3 :: 4.274 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 :: 111.822 Ave N Shift Values>> N :: 119.95(4.79) K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.47 M 0.02 G 0.01 C Shift Assignments>> C :: 179.252 CA :: 59.388 CB :: 31.929 CG :: 25.449 CD :: 29.418 CE :: 42.290 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 :: 8.012 HA :: 4.167 HB2 :: 2.121 HB3 :: 2.006 HG2 :: 1.582 HG3 :: 1.797 HD2 :: 1.844 HE2 :: 3.032 HE3 :: 3.081 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 :: 121.841 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.48 A 0.02 C Shift Assignments>> C :: 178.068 CA :: 57.447 CB :: 32.865 CG :: 31.796 CE :: 16.286 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.529 HA :: 4.272 HB2 :: 2.055 HB3 :: 1.901 HG2 :: 2.407 HG3 :: 2.503 HE :: 1.705 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 :: 116.594 Ave N Shift Values>> N :: 120.1(3.88) I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 176.457 CA :: 62.299 CB :: 39.572 CG1 :: 29.870 CG2 :: 16.538 CD1 :: 14.426 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 :: 7.658 HA :: 4.371 HB :: 2.062 HG2 :: 0.980 HG12 :: 1.525 HG13 :: 1.697 HD1 :: 0.902 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 :: 117.035 Ave N Shift Values>> N :: 121.6(4.72) A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 I 0.25 C 0.02 A 0.01 C Shift Assignments>> CA :: 57.765 CB :: 15.277 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.205 HA :: 3.932 HB :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.655 Ave N Shift Values>> N :: 123.23(3.7) P37 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 :: 179.338 CA :: 65.452 CB :: 30.902 CG :: 27.884 CD :: 50.586 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 :: 4.385 HB2 :: 2.321 HB3 :: 1.974 HG2 :: 2.061 HD2 :: 3.629 HD3 :: 3.977 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) V38 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 :: 178.384 CA :: 65.681 CB :: 31.097 CG1 :: 21.498 CG2 :: 22.031 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 :: 6.841 HA :: 3.810 HB :: 2.434 HG1 :: 0.864 HG2 :: 1.276 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 :: 119.851 Ave N Shift Values>> N :: 121.02(4.96) L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.37 A 0.01 C Shift Assignments>> C :: 178.724 CA :: 57.679 CB :: 40.562 CG :: 26.181 CD1 :: 22.428 CD2 :: 26.193 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 :: 7.756 HA :: 3.856 HB2 :: 1.989 HB3 :: 1.262 HG :: 1.773 HD1 :: 0.635 HD2 :: 0.669 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 :: 117.608 Ave N Shift Values>> N :: 121.98(4.07) E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 I 0.25 K 0.07 Q 0.02 C Shift Assignments>> C :: 179.236 CA :: 59.649 CB :: 28.785 CG :: 36.264 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 :: 7.353 HA :: 3.928 HB2 :: 2.089 HG2 :: 2.188 HG3 :: 2.300 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 :: 117.226 Ave N Shift Values>> N :: 120.68(3.68) E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.27 K 0.03 M 0.02 C Shift Assignments>> C :: 179.348 CA :: 59.838 CB :: 29.876 CG :: 36.837 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 :: 7.704 HA :: 4.047 HB2 :: 2.238 HB3 :: 2.006 HG2 :: 2.168 HG3 :: 2.547 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 :: 120.202 Ave N Shift Values>> N :: 120.68(3.68) L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.36 G 0.02 C Shift Assignments>> C :: 178.497 CA :: 58.171 CB :: 42.338 CG :: 26.771 CD1 :: 25.037 CD2 :: 25.037 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 :: 8.318 HA :: 3.908 HB2 :: 1.588 HG :: 1.611 HD1 :: 0.730 HD2 :: 0.687 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 :: 120.009 Ave N Shift Values>> N :: 121.98(4.07) D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 C 0.16 F 0.14 Y 0.1 D 0.06 G 0.02 I 0.01 C Shift Assignments>> C :: 178.634 CA :: 57.618 CB :: 42.671 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 :: 8.391 HA :: 4.248 HB2 :: 2.702 HB3 :: 2.627 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 :: 118.966 Ave N Shift Values>> N :: 120.73(4.2) Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.25 K 0.24 E 0.14 I 0.03 M 0.02 C Shift Assignments>> C :: 178.302 CA :: 58.709 CB :: 28.550 CG :: 34.058 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 :: 7.717 HA :: 4.002 HB2 :: 2.261 HB3 :: 2.206 HG2 :: 2.490 HG3 :: 2.570 HE21 :: 7.531 HE22 :: 6.826 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 :: 117.190 NE2 :: 112.097 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 M 0.11 I 0.07 K 0.03 Q 0.02 C Shift Assignments>> C :: 178.544 CA :: 58.442 CB :: 31.065 CG :: 36.249 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 :: 7.868 HA :: 4.196 HB2 :: 2.039 HG2 :: 2.248 HG3 :: 2.438 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 :: 117.059 Ave N Shift Values>> N :: 120.68(3.68) M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.39 A 0.15 C Shift Assignments>> C :: 177.542 CA :: 55.776 CB :: 33.775 CG :: 32.175 CE :: 17.534 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 :: 8.632 HA :: 4.757 HB2 :: 2.142 HB3 :: 2.089 HG2 :: 2.479 HG3 :: 2.565 HE :: 2.045 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 :: 114.904 Ave N Shift Values>> N :: 120.1(3.88) G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 C 0.24 P 0.04 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 174.266 CA :: 47.533 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.076 HA2 :: 4.196 HA3 :: 4.113 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.399 Ave N Shift Values>> N :: 109.91(4.29) D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 C 0.16 Y 0.15 F 0.15 N 0.14 L 0.1 K 0.02 I 0.01 C Shift Assignments>> C :: 177.091 CA :: 55.306 CB :: 39.821 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 :: 8.643 HA :: 4.532 HB2 :: 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 :: 118.140 Ave N Shift Values>> N :: 120.73(4.2) K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.47 M 0.02 G 0.01 C Shift Assignments>> C :: 174.587 CA :: 56.822 CB :: 34.517 CG :: 24.792 CD :: 29.279 CE :: 42.099 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 :: 7.970 HA :: 4.389 HB2 :: 1.922 HB3 :: 1.775 HG2 :: 1.499 HD2 :: 1.720 HE2 :: 3.031 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.027 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.28 L 0.21 A 0.02 C Shift Assignments>> C :: 173.500 CA :: 53.730 CB :: 46.261 CG :: 27.022 CD1 :: 23.794 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 :: 7.687 HA :: 4.619 HB2 :: 1.723 HB3 :: 1.113 HG :: 1.405 HD1 :: 0.828 HD2 :: 0.789 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 :: 119.256 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>> C 0.47 K 0.45 M 0.04 G 0.01 C Shift Assignments>> C :: 174.338 CA :: 55.155 CB :: 34.934 CG :: 25.023 CD :: 29.869 CE :: 42.174 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 :: 7.638 HA :: 4.737 HB2 :: 1.801 HG2 :: 1.156 HG3 :: 1.450 HD2 :: 1.653 HE2 :: 2.805 HE3 :: 2.968 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 :: 125.631 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 174.600 CA :: 60.079 CB :: 39.238 CG1 :: 28.280 CG2 :: 17.739 CD1 :: 14.792 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 :: 8.931 HA :: 5.145 HB :: 1.764 HG2 :: 0.776 HG12 :: 0.875 HG13 :: 1.694 HD1 :: 0.800 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 :: 128.013 Ave N Shift Values>> N :: 121.6(4.72) V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.36 C Shift Assignments>> C :: 174.600 CA :: 58.776 CB :: 34.783 CG1 :: 22.263 CG2 :: 21.542 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 :: 8.958 HA :: 5.145 HB :: 1.500 HG1 :: 0.558 HG2 :: 0.542 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 :: 124.576 Ave N Shift Values>> N :: 121.02(4.96) K54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 K 0.44 M 0.03 C Shift Assignments>> C :: 175.153 CA :: 54.973 CB :: 35.298 CG :: 24.627 CD :: 29.403 CE :: 41.051 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 :: 8.949 HA :: 5.161 HB2 :: 1.719 HB3 :: 1.594 HG2 :: 1.174 HG3 :: 1.356 HD2 :: 1.091 HD3 :: 1.283 HE2 :: 2.095(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 :: 124.445 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.38 C Shift Assignments>> C :: 171.741 CA :: 59.412 CB :: 41.632 CG1 :: 29.025 CG2 :: 15.530 CD1 :: 15.045 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 :: 9.044 HA :: 4.674 HB :: 1.205 HG2 :: 0.204 HG12 :: 0.601 HG13 :: 1.410 HD1 :: 0.406 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 :: 121.620 Ave N Shift Values>> N :: 121.6(4.72) D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.29 C 0.12 L 0.11 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 179.587 CA :: 52.124 CB :: 40.541 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 :: 8.413 HA :: 3.988 HB2 :: 2.480 HB3 :: 2.128 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 :: 128.368 Ave N Shift Values>> N :: 120.73(4.2) V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.39 C Shift Assignments>> C :: 176.787 CA :: 63.844 CB :: 31.139 CG1 :: 24.051 CG2 :: 19.016 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 :: 8.972 HA :: 4.034 HB :: 2.302 HG1 :: 1.196 HG2 :: 0.884 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 :: 122.407 Ave N Shift Values>> N :: 121.02(4.96) D58 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 0.05 I 0.04 N 0.04 C Shift Assignments>> C :: 178.821 CA :: 56.813 CB :: 40.049 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 :: 8.764 HA :: 4.589 HB2 :: 3.114 HB3 :: 2.639 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 :: 122.747 Ave N Shift Values>> N :: 120.73(4.2) E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.3 M 0.21 I 0.01 Q 0.01 C Shift Assignments>> C :: 175.951 CA :: 56.291 CB :: 32.260 CG :: 36.572 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 :: 7.067 HA :: 4.352 HB2 :: 2.157 HB3 :: 1.741 HG2 :: 2.176 HG3 :: 2.301 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 :: 116.240 Ave N Shift Values>> N :: 120.68(3.68) N60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> N 0.36 D 0.28 C 0.13 L 0.07 Y 0.06 F 0.06 K 0.01 C Shift Assignments>> C :: 173.935 CA :: 52.761 CB :: 39.776 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 :: 7.484 HA :: 5.287 HB2 :: 2.787 HB3 :: 2.579 HD21 :: 8.251 HD22 :: 7.575 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.399 ND2 :: 121.650(S) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.21 E 0.18 M 0.04 I 0.03 C Shift Assignments>> C :: 179.756 CA :: 58.374 CB :: 29.222 CG :: 34.320 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 :: 8.485 HA :: 4.221 HB2 :: 2.198 HB3 :: 2.064 HG2 :: 2.487 HG3 :: 2.572 HE21 :: 7.639 HE22 :: 6.832 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.431 NE2 :: 112.627 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.26 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.121 CA :: 59.806 CB :: 29.192 CG :: 36.390 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 :: 9.517 HA :: 4.092 HB2 :: 1.961 HG2 :: 2.172 HG3 :: 2.329 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 :: 122.439 Ave N Shift Values>> N :: 120.68(3.68) T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 T 0.33 I 0.01 C Shift Assignments>> C :: 175.961 CA :: 68.041 CG2 :: 21.298 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 :: 8.926 HA :: 3.822 HB :: 3.731 HG2 :: 0.489 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 :: 119.483 Ave N Shift Values>> N :: 115.7(5.05) A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.22 I 0.08 C 0.03 C Shift Assignments>> C :: 179.238 CA :: 55.893 CB :: 17.672 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.741 HA :: 3.782 HB :: 1.469 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.266 Ave N Shift Values>> N :: 123.23(3.7) G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 177.244 CA :: 46.933 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.099 HA2 :: 3.878 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.736 Ave N Shift Values>> N :: 109.91(4.29) K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.46 M 0.03 G 0.01 C Shift Assignments>> C :: 177.908 CA :: 59.254 CB :: 32.401 CG :: 24.799 CD :: 29.553 CE :: 42.211 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 :: 8.023 HA :: 3.891 HB2 :: 1.829 HB3 :: 1.680 HG2 :: 1.207 HG3 :: 0.716 HD2 :: 1.493 HD3 :: 1.546 HE2 :: 2.822 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 :: 123.871 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.22 F 0.21 I 0.18 E 0.06 D 0.01 L 0.01 C Shift Assignments>> C :: 175.090 CA :: 58.861 CB :: 38.393 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 :: 7.241 HA :: 4.323 HB2 :: 3.172 HB3 :: 2.159 HD1 :: 7.236 HE1 :: 6.683 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 :: 113.523 Ave N Shift Values>> N :: 120.79(4.69) G68 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>> C :: 174.752 CA :: 47.073 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.614 HA2 :: 3.811 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.689 Ave N Shift Values>> N :: 109.91(4.29) V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 175.609 CA :: 63.874 CB :: 30.749 CG1 :: 20.151 CG2 :: 21.038 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 :: 8.109 HA :: 3.629 HB :: 1.634 HG1 :: -0.030 HG2 :: 0.642 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 :: 120.089 Ave N Shift Values>> N :: 121.02(4.96) M70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.31 Q 0.17 E 0.12 K 0.03 C Shift Assignments>> C :: 175.517 CA :: 55.305 CB :: 34.165 CG :: 31.972 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 :: 8.503 HA :: 4.622 HB2 :: 2.147 HB3 :: 1.950 HG2 :: 2.445 HG3 :: 2.573 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 :: 127.796 Ave N Shift Values>> N :: 120.1(3.88) S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.059 CA :: 57.391 CB :: 64.979 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.871 HA :: 4.747 HB2 :: 3.734 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.974 Ave N Shift Values>> N :: 116.3(3.95) I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.13 A 0.06 C Shift Assignments>> CA :: 58.176 CB :: 41.028 CG1 :: 24.521 CG2 :: 19.635 CD1 :: 16.415 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 :: 8.500 HA :: 4.828 HB :: 1.866 HG2 :: 0.736 HG12 :: 1.172 HG13 :: 1.523 HD1 :: 0.355 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 :: 115.979 Ave N Shift Values>> N :: 121.6(4.72) P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.82 P 0.14 A 0.02 C Shift Assignments>> C :: 177.278 CA :: 62.981 CB :: 34.569 CG :: 24.345 CD :: 51.215 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 :: 5.204 HB2 :: 2.773 HB3 :: 1.945 HG2 :: 1.797 HD2 :: 3.470 HD3 :: 3.766 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) T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 171.567 CA :: 64.185 CB :: 72.334 CG2 :: 21.494 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 :: 8.139 HA :: 4.996 HB :: 3.912 HG2 :: 1.074 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.516 Ave N Shift Values>> N :: 115.7(5.05) L75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 L 0.28 K 0.28 G 0.11 C Shift Assignments>> C :: 175.323 CA :: 52.924 CB :: 43.068 CG :: 28.987 CD1 :: 25.652 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 :: 9.523 HA :: 5.935(S) HB2 :: 1.667 HB3 :: 1.363 HG :: 1.751 HD1 :: 0.881 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 :: 129.113 Ave N Shift Values>> N :: 121.98(4.07) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.3 C 0.13 C Shift Assignments>> C :: 176.930 CA :: 52.485 CB :: 44.876 CG :: 26.548 CD1 :: 24.380 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 :: 9.064 HA :: 5.329 HB2 :: 1.727 HB3 :: 1.468 HG :: 0.674 HD1 :: 0.921 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 :: 120.240 Ave N Shift Values>> N :: 121.98(4.07) V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.034 CA :: 61.448 CB :: 31.917 CG1 :: 21.531 CG2 :: 21.292 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 :: 8.628 HA :: 4.979 HB :: 1.655 HG1 :: 0.639 HG2 :: 0.707 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.304 Ave N Shift Values>> N :: 121.02(4.96) L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.41 L 0.1 K 0.02 C Shift Assignments>> C :: 174.613 CA :: 54.409 CB :: 44.527 CG :: 29.282 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 :: 9.706 HA :: 5.403 HB2 :: 1.583 HB3 :: 1.364 HG :: 1.371 HD1 :: 0.721 HD2 :: 0.689 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 :: 129.298 Ave N Shift Values>> N :: 121.98(4.07) K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 K 0.31 M 0.04 C Shift Assignments>> C :: 176.350 CA :: 54.858 CB :: 35.786 CG :: 25.389 CD :: 30.165 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 :: 8.928 HA :: 4.995 HB2 :: 1.833 HB3 :: 1.273 HG2 :: 1.237 HG3 :: 1.306 HD2 :: 1.790 HE2 :: 3.069 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 :: 119.733 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.19 C 0.17 D 0.17 L 0.1 N 0.07 K 0.03 I 0.03 C Shift Assignments>> C :: 176.039 CA :: 56.158 CB :: 39.844 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 :: 9.324 HA :: 4.268 HB2 :: 3.005 HB3 :: 2.725 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 :: 129.918 Ave N Shift Values>> N :: 120.73(4.2) G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.08 L 0.07 C Shift Assignments>> C :: 173.725 CA :: 45.632 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.552 HA2 :: 4.218 HA3 :: 3.599 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.196 Ave N Shift Values>> N :: 109.91(4.29) E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.3 E 0.23 Q 0.06 K 0.02 C Shift Assignments>> C :: 175.979 CA :: 54.319 CB :: 31.732 CG :: 35.708 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 :: 7.684 HA :: 4.656 HB2 :: 2.066 HB3 :: 1.925 HG2 :: 2.155 HG3 :: 2.312 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 :: 120.959 Ave N Shift Values>> N :: 120.68(3.68) V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.279 CA :: 64.809 CB :: 31.735 CG1 :: 22.038 CG2 :: 22.788 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 :: 9.015 HA :: 4.041 HB :: 2.106 HG1 :: 0.927 HG2 :: 1.175 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 :: 124.713 Ave N Shift Values>> N :: 121.02(4.96) V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.33 I 0.03 C Shift Assignments>> C :: 176.216 CA :: 61.195 CB :: 34.237 CG1 :: 18.309 CG2 :: 21.857 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 :: 9.325 HA :: 4.618 HB :: 1.987 HG1 :: 0.051 HG2 :: 0.877 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.412 Ave N Shift Values>> N :: 121.02(4.96) E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.35 E 0.11 Q 0.07 C Shift Assignments>> C :: 174.824 CA :: 56.190 CB :: 33.349 CG :: 34.621 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 :: 7.690 HA :: 4.710 HB2 :: 2.043 HB3 :: 1.598 HG2 :: 2.155 HG3 :: 2.385 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 :: 117.912 Ave N Shift Values>> N :: 120.68(3.68) T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.431 CA :: 62.390 CB :: 71.269 CG2 :: 20.548 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 :: 8.695 HA :: 4.808 HB :: 3.876 HG2 :: 1.064 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 :: 117.663 Ave N Shift Values>> N :: 115.7(5.05) S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.752 CA :: 56.946 CB :: 64.229 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.239 HA :: 4.784 HB2 :: 3.711 HB3 :: 3.434 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 :: 120.935 Ave N Shift Values>> N :: 116.3(3.95) V88 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 :: 176.545 CA :: 62.146 CB :: 33.730 CG1 :: 21.288 CG2 :: 20.788 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 :: 9.020 HA :: 4.718 HB :: 1.984 HG1 :: 0.890 HG2 :: 0.973 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 :: 131.026 Ave N Shift Values>> N :: 121.02(4.96) G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 G 0.17 C 0.13 D 0.07 F 0.06 K 0.05 Y 0.04 I 0.01 HN Overlap>> C32 C Shift Assignments>> C :: 173.076 CA :: 43.554 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.284 HA2 :: 4.532 HA3 :: 3.684 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.902 Ave N Shift Values>> N :: 109.91(4.29) F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 F 0.23 Y 0.2 C 0.16 C Shift Assignments>> C :: 175.012 CA :: 61.100 CB :: 39.559 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 :: 8.928 HA :: 3.884 HB2 :: 3.079 HB3 :: 2.887 HD1 :: 7.009 HE1 :: 7.187 HZ :: 7.287 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 :: 118.176 Ave N Shift Values>> N :: 120.69(4.18) K91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 K 0.28 G 0.09 A 0.01 C Shift Assignments>> CA :: 52.380 CB :: 36.425 CG :: 24.840 CD :: 28.726 CE :: 42.541 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 :: 5.863(S) HA :: 4.271 HB2 :: 1.156 HB3 :: 1.460 HG2 :: 1.201 HD2 :: 1.360 HD3 :: 1.598 HE2 :: 2.848 HE3 :: 2.921 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 :: 127.808 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> C :: 176.983 CA :: 61.098 CB :: 33.048 CG :: 27.426 CD :: 50.004 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 :: 4.371 HB2 :: 2.426 HB3 :: 2.260 HG2 :: 1.841 HG3 :: 2.162 HD2 :: 3.424 HD3 :: 3.521 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) K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.48 M 0.01 C Shift Assignments>> C :: 177.918 CA :: 61.242 CB :: 32.575 CG :: 24.532 CD :: 29.326 CE :: 41.485 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 :: 8.956 HA :: 3.404 HB2 :: 1.910 HB3 :: 1.742 HG2 :: 1.239 HD2 :: 1.635 HE2 :: 2.737 HE3 :: 2.848 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 :: 120.466 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.34 E 0.21 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.778 CA :: 60.195 CB :: 28.233 CG :: 36.586 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 :: 9.650 HA :: 4.120 HB2 :: 1.998 HG2 :: 2.322 HG3 :: 2.449 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 :: 116.102 Ave N Shift Values>> N :: 120.68(3.68) A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.37 C 0.03 I 0.01 C Shift Assignments>> C :: 180.796 CA :: 54.108 CB :: 18.953 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.948 HA :: 4.283 HB :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.363 Ave N Shift Values>> N :: 123.23(3.7) L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.28 K 0.24 C Shift Assignments>> C :: 178.466 CA :: 57.442 CB :: 41.857 CG :: 26.288 CD1 :: 25.774 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 :: 7.572 HA :: 3.952 HB2 :: 1.748 HB3 :: 1.073 HG :: 1.477 HD1 :: 0.601 HD2 :: 0.573 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 :: 119.119 Ave N Shift Values>> N :: 121.98(4.07) Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.19 Q 0.18 E 0.17 I 0.08 M 0.01 C Shift Assignments>> C :: 177.535 CA :: 59.693 CB :: 28.677 CG :: 34.500 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 :: 8.716 HA :: 3.667 HB2 :: 2.090 HB3 :: 2.000 HG2 :: 2.207 HG3 :: 2.311 HE21 :: 7.361 HE22 :: 6.860 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 :: 118.265 NE2 :: 111.513 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.2 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.396 CA :: 59.529 CB :: 29.533 CG :: 36.218 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 :: 7.407 HA :: 3.987 HB2 :: 2.084 HG2 :: 2.231 HG3 :: 2.397 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 :: 117.625 Ave N Shift Values>> N :: 120.68(3.68) L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.34 G 0.05 C Shift Assignments>> C :: 177.843 CA :: 57.881 CB :: 42.903 CG :: 26.519 CD1 :: 24.288 CD2 :: 24.788 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 :: 7.267 HA :: 4.018 HB2 :: 1.836 HB3 :: 1.614 HG :: 1.715 HD1 :: 0.763 HD2 :: 0.836 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 :: 117.906 Ave N Shift Values>> N :: 121.98(4.07) V100 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 :: 178.445 CA :: 65.580 CB :: 32.345 CG1 :: 22.602 CG2 :: 21.574 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 :: 7.678 HA :: 3.788 HB :: 2.021 HG1 :: 0.935 HG2 :: 0.990 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 :: 111.966 Ave N Shift Values>> N :: 121.02(4.96) N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.2 F 0.14 N 0.13 E 0.09 D 0.07 I 0.03 L 0.02 M 0.02 C Shift Assignments>> C :: 177.793 CA :: 55.951 CB :: 38.084 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 :: 8.562 HA :: 4.441 HB2 :: 2.873 HB3 :: 2.689 HD21 :: 7.309 HD22 :: 6.665 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 :: 118.349 ND2 :: 108.995 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.46 M 0.05 C Shift Assignments>> C :: 176.597 CA :: 58.139 CB :: 32.345 CG :: 24.200 CD :: 29.442 CE :: 41.895 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 :: 7.239 HA :: 4.036 HB2 :: 1.644 HB3 :: 1.471 HG2 :: 1.187 HG3 :: 1.132 HD2 :: 1.680 HD3 :: 1.614 HE2 :: 2.879 HE3 :: 2.965 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 :: 116.360 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.16 K 0.15 H 0.14 W 0.12 E 0.11 Q 0.08 V 0.01 C Shift Assignments>> C :: 173.200 CA :: 55.983 CB :: 31.657 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.784 HA :: 4.716 HB2 :: 3.334 HB3 :: 2.676 HD2 :: 7.543 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 :: 115.838 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.32 G 0.15 C Shift Assignments>> CA :: 56.871 CB :: 43.742 CG :: 26.787 CD1 :: 26.288 CD2 :: 23.755 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 :: 7.049 HA :: 4.233 HB2 :: 1.628 HB3 :: 1.686 HG :: 1.807 HD2 :: 0.874 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 :: 125.856 Ave N Shift Values>> N :: 121.98(4.07) ########################################################################### Overall Results: #Consistent: 97 #Clerical: 0 #Suspicious: 6 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 103 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 104 #Suspicious: 0 C Shift Results: #Consistent: 420 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 555 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 103 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: T15 HG2 = 0.160(S), Expected = 1.16, Std = 0.2800, ChiSquare = 3.5504e-04 A26 HB = 0.379(S), Expected = 1.38, Std = 0.2500, ChiSquare = 6.2280e-05 W28 NE1 = 136.525(M), Expected = 129.48, Std = 2.5600, ChiSquare = 5.9241e-03 K54 HE2 = 2.095(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.9799e-05 N60 ND2 = 121.650(S), Expected = 112.83, Std = 2.6000, ChiSquare = 6.9307e-04 L75 HA = 5.935(S), Expected = 4.32, Std = 0.4700, ChiSquare = 5.9000e-04 K91 H = 5.863(S), Expected = 8.22, Std = 0.6400, ChiSquare = 2.3067e-04