M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable A3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable I4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.22 Y 0.22 C 0.18 D 0.12 L 0.08 I 0.05 N 0.04 K 0.03 E 0.01 C Shift Assignments>> C :: 175.725 CA :: 56.833 CB :: 39.817 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.046 CA :: 58.529 CB :: 62.865 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.528 HA :: 3.977 HB2 :: 3.709 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 :: 109.878 Ave N Shift Values>> N :: 116.3(3.95) W9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 C 0.13 I 0.12 L 0.1 Q 0.1 K 0.09 W 0.09 H 0.07 E 0.06 C Shift Assignments>> C :: 172.059 CA :: 58.470 CB :: 27.114 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.476 HA :: 4.280 HB2 :: 3.502 HB3 :: 2.755 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 :: 126.438 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.35 C 0.15 L 0.1 H 0.09 R 0.07 Q 0.06 K 0.05 W 0.04 E 0.01 M 0.01 C Shift Assignments>> C :: 171.531 CA :: 51.555 CB :: 28.085 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 :: 7.387 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 :: 123.151 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.56 P 0.33 C 0.06 I 0.02 C Shift Assignments>> C :: 177.148 CA :: 65.123 CB :: 32.971 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 :: 4.396 HB2 :: 2.382 HB3 :: 1.943 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) N13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.67 L 0.12 C 0.09 R 0.05 D 0.04 C Shift Assignments>> C :: 174.178 CA :: 51.400 CB :: 44.354 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 :: 7.718 HA :: 6.054(S) HB2 :: 2.264 HB3 :: 2.171 HD21 :: 6.803 HD22 :: 7.473 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 :: 110.639 ND2 :: 109.889 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.33 I 0.07 C Shift Assignments>> C :: 173.077 CA :: 61.785 CB :: 36.874 CG1 :: 22.418 CG2 :: 20.466 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 :: 7.967 HA :: 4.387 HB :: 1.531 HG1 :: 0.839 HG2 :: 0.534 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.943 Ave N Shift Values>> N :: 121.02(4.96) Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.18 D 0.1 L 0.08 I 0.06 K 0.03 N 0.03 E 0.01 C Shift Assignments>> C :: 174.108 CA :: 57.195 CB :: 39.846 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.835 HA :: 4.318 HB2 :: 2.045 HB3 :: 1.787 HD1 :: 6.609 HE1 :: 6.776 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 :: 128.133 Ave N Shift Values>> N :: 120.79(4.69) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 A 0.2 C 0.17 G 0.15 C Shift Assignments>> C :: 175.196 CA :: 52.970 CB :: 43.320 CG :: 25.368 CD1 :: 23.720 CD2 :: 22.132 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 :: 9.127 HA :: 4.740 HB2 :: 2.045 HB3 :: 1.028 HG :: 1.452 HD1 :: 0.723 HD2 :: 0.614 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 :: 119.210 Ave N Shift Values>> N :: 121.98(4.07) E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 K 0.14 I 0.07 Q 0.06 M 0.01 C Shift Assignments>> C :: 175.856 CA :: 56.461 CB :: 28.578 CG :: 36.204 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 :: 9.371 HA :: 4.519 HB2 :: 2.145 HG2 :: 2.280 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 :: 124.078 Ave N Shift Values>> N :: 120.68(3.68) T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.38 C Shift Assignments>> C :: 176.935 CA :: 60.596 CB :: 73.229 CG2 :: 21.608 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 :: 8.023 HA :: 5.731 HB :: 4.501 HG2 :: 1.241 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 :: 115.483 Ave N Shift Values>> N :: 115.7(5.05) S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.095 CA :: 60.980 CB :: 63.068 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.470 HA :: 4.238 HB2 :: 3.917 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 :: 115.877 Ave N Shift Values>> N :: 116.3(3.95) M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.4 A 0.17 C Shift Assignments>> C :: 174.103 CA :: 55.266 CB :: 34.265 CG :: 33.382 CE :: 17.065 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 :: 8.188 HA :: 4.569 HB2 :: 2.283 HB3 :: 1.360 HG2 :: 2.421 HE :: 1.887 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 :: 118.755 Ave N Shift Values>> N :: 120.1(3.88) G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.26 G 0.23 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.785 CA :: 43.971 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.144 HA2 :: 3.830 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.311 Ave N Shift Values>> N :: 109.91(4.29) I22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 I 0.03 HN Overlap>> A103 C Shift Assignments>> C :: 174.635 CA :: 61.800 CB :: 39.044 CG1 :: 29.358 CG2 :: 23.399(S) CD1 :: 13.180 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 :: 8.719 HA :: 4.798 HB :: 1.725 HG2 :: 0.768 HG12 :: 1.761 HG13 :: 1.031 HD1 :: 0.904 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 :: 123.358 Ave N Shift Values>> N :: 121.6(4.72) I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.39 G 0.03 C Shift Assignments>> C :: 173.706 CA :: 60.276 CB :: 42.339 CG1 :: 27.308 CG2 :: 17.959 CD1 :: 13.763 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 :: 8.909 HA :: 4.306 HB :: 1.583 HG2 :: 0.696 HG12 :: 0.859 HG13 :: 0.952 HD1 :: 0.589 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 :: 127.663 Ave N Shift Values>> N :: 121.6(4.72) V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.545 CA :: 61.231 CB :: 32.350 CG1 :: 21.218 CG2 :: 21.342 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 :: 8.606 HA :: 4.282 HB :: 1.709 HG1 :: 0.388 HG2 :: 0.175 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 :: 125.404 Ave N Shift Values>> N :: 121.02(4.96) L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.17 G 0.07 R 0.05 A 0.01 C Shift Assignments>> C :: 176.220 CA :: 52.468 CB :: 42.887 CG :: 26.812 CD1 :: 25.783 CD2 :: 24.118 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 :: 8.968 HA :: 4.898 HB2 :: 1.576 HB3 :: 0.837 HG :: 1.417 HD1 :: 0.515 HD2 :: 0.442 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 :: 127.423 Ave N Shift Values>> N :: 121.98(4.07) E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.27 E 0.24 Q 0.01 C Shift Assignments>> C :: 174.181 CA :: 54.621 CB :: 32.281 CG :: 36.304 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 :: 9.269 HA :: 4.800 HB2 :: 1.914 HB3 :: 1.808 HG2 :: 2.198 HG3 :: 1.924 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 :: 125.117 Ave N Shift Values>> N :: 120.68(3.68) L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.26 R 0.14 A 0.04 G 0.02 C Shift Assignments>> C :: 177.247 CA :: 53.845 CB :: 42.287 CG :: 27.765 CD1 :: 23.244 CD2 :: 25.550 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 :: 7.434 HA :: 4.457 HB2 :: 1.447 HB3 :: 1.242 HG :: 1.387 HD1 :: 0.488 HD2 :: 0.756 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 :: 122.907 Ave N Shift Values>> N :: 121.98(4.07) Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.17 N 0.14 Q 0.06 K 0.06 E 0.05 P 0.03 Y 0.01 H 0.01 W 0.01 C Shift Assignments>> C :: 176.156 CA :: 51.976 CB :: 35.077 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.458 HA :: 5.254 HB2 :: 3.287 HB3 :: 2.441 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 :: 125.525 Ave N Shift Values>> N :: 120.79(4.69) W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.18 C 0.15 V 0.15 W 0.14 P 0.1 E 0.07 R 0.06 H 0.04 Q 0.02 K 0.02 M 0.01 C Shift Assignments>> C :: 178.103 CA :: 61.333 CB :: 30.309 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.324 HA :: 3.907 HB2 :: 3.205 HB3 :: 2.902 HE1 :: 10.041 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 :: 123.674 NE1 :: 130.849 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.32 R 0.3 C Shift Assignments>> C :: 177.661 CA :: 57.654 CB :: 31.445 CG :: 24.996 CD :: 27.259 CE :: 41.825 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 :: 8.743 HA :: 4.029 HB2 :: 1.605 HB3 :: 1.475 HG2 :: 1.309 HG3 :: 1.158 HD2 :: 1.759 HE2 :: 2.802 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 :: 114.543 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.15 Q 0.13 V 0.12 M 0.11 W 0.07 R 0.05 E 0.04 H 0.03 C Shift Assignments>> C :: 174.653 CA :: 59.054 CB :: 33.363 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 :: 7.132 HA :: 4.219 HB2 :: 2.790 HB3 :: 2.572 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 :: 116.326 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 HN Overlap>> R152 C Shift Assignments>> C :: 173.636 CA :: 50.153 CB :: 19.130 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.729 HA :: 3.856 HB :: 1.301 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.636 Ave N Shift Values>> N :: 123.23(3.7) P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 180.734 CA :: 66.739 CB :: 31.781 CG :: 27.376 CD :: 50.684 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 :: 4.384 HB2 :: 2.184 HG2 :: 1.910 HD2 :: 3.690 HD3 :: 3.585 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) K34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 K 0.22 R 0.19 C Shift Assignments>> C :: 181.624(M) CA :: 60.051 CB :: 32.189 CG :: 26.146 CD :: 26.358 CE :: 41.247 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 :: 10.416(S) HA :: 3.995 HB2 :: 1.772 HB3 :: 1.427 HG2 :: 1.108 HG3 :: 1.356 HD2 :: 1.383 HE2 :: 2.331 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 :: 124.413 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 178.224 CA :: 67.081 CB :: 67.966 CG2 :: 22.620 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 :: 10.042 HA :: 3.903 HB :: 3.951 HG2 :: 0.277 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 :: 123.650 Ave N Shift Values>> N :: 115.7(5.05) C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.37 I 0.36 T 0.14 P 0.06 C 0.05 C Shift Assignments>> C :: 175.037 CA :: 65.636 CB :: 24.347 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.649 HA :: 3.504 HB2 :: 2.877 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 :: 123.970 Ave N Shift Values>> N :: 119.95(4.79) K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.28 K 0.15 I 0.08 G 0.04 HN Overlap>> R72 C Shift Assignments>> C :: 177.424 CA :: 61.135 CB :: 31.312 CE :: 42.559 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 :: 8.045 HA :: 4.103 HB2 :: 1.757 HB3 :: 1.628 HE2 :: 3.098 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 :: 120.088 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.19 C 0.15 D 0.12 L 0.12 K 0.1 I 0.04 N 0.02 R 0.01 C Shift Assignments>> C :: 174.668 CA :: 56.950 CB :: 40.471 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 :: 7.224 HA :: 3.948 HB2 :: 2.202 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 :: 114.139 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.25 F 0.24 C 0.18 Y 0.16 K 0.07 R 0.04 L 0.01 HN Overlap>> Y78 C Shift Assignments>> C :: 178.689 CA :: 61.566 CB :: 41.586 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 :: 7.715 HA :: 4.316 HB2 :: 3.474 HB3 :: 2.604 HD1 :: 6.466 HE1 :: 6.774 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 :: 118.266 Ave N Shift Values>> N :: 120.69(4.18) A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.29 I 0.04 C 0.04 V 0.01 C Shift Assignments>> C :: 179.621 CA :: 55.743 CB :: 18.730 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.120 HA :: 3.837 HB :: 1.485 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.238 Ave N Shift Values>> N :: 123.23(3.7) E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.13 K 0.12 Q 0.05 M 0.01 C Shift Assignments>> C :: 178.587 CA :: 58.124 CB :: 28.510 CG :: 36.105 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 :: 8.892 HA :: 5.021 HB2 :: 2.017 HG2 :: 2.332 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.394 Ave N Shift Values>> N :: 120.68(3.68) L42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 L 0.36 R 0.06 A 0.01 C Shift Assignments>> C :: 179.744 CA :: 58.614 CB :: 40.969 CG :: 27.113 CD1 :: 25.953 CD2 :: 21.334 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 :: 8.727 HA :: 3.570 HB2 :: 1.603 HG :: 0.612 HD1 :: 0.573 HD2 :: -0.200(S) 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 :: 121.441 Ave N Shift Values>> N :: 121.98(4.07) A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.32 L 0.06 C 0.05 V 0.01 C Shift Assignments>> C :: 177.135 CA :: 53.986 CB :: 20.383 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.783 HA :: 3.504 HB :: 0.905 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 113.227 Ave N Shift Values>> N :: 123.23(3.7) R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.12 R 0.11 V 0.09 H 0.07 I 0.07 Q 0.05 K 0.05 M 0.04 P 0.01 C Shift Assignments>> C :: 178.115 CA :: 59.791 CB :: 30.729 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 :: 8.483 HA :: 3.948 HB2 :: 1.926 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 :: 125.118 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.42 R 0.13 C Shift Assignments>> C :: 176.745 CA :: 57.614 CB :: 31.593 CG :: 24.294 CD :: 41.901 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 :: 8.497 HA :: 4.059 HB2 :: 1.770 HB3 :: 2.027 HG2 :: 1.299 HD2 :: 2.896 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 :: 115.881 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G46 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 :: 176.491 CA :: 45.664 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.057 HA2 :: 4.313 HA3 :: 3.944 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.843 Ave N Shift Values>> N :: 109.91(4.29) Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 I 0.21 Y 0.18 C 0.17 K 0.09 R 0.03 L 0.02 C Shift Assignments>> C :: 175.549 CA :: 60.928 CB :: 41.322 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 :: 7.886 HA :: 3.859 HB2 :: 2.638 HB3 :: 2.034 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 :: 121.963 Ave N Shift Values>> N :: 120.79(4.69) Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.19 N 0.14 F 0.13 E 0.11 D 0.06 I 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.608 CA :: 55.817 CB :: 37.942 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 :: 7.778 HA :: 4.710 HB2 :: 3.079 HB3 :: 2.647 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 :: 108.639 Ave N Shift Values>> N :: 120.79(4.69) N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.21 M 0.11 N 0.11 Y 0.08 K 0.05 F 0.03 Q 0.02 I 0.01 D 0.01 C Shift Assignments>> C :: 176.172 CA :: 54.986 CB :: 36.214 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 :: 7.689 HA :: 4.035 HB2 :: 3.115 HB3 :: 2.842 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 :: 124.809 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.974 CA :: 45.907 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.118 HA2 :: 4.148 HA3 :: 3.672 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.476 Ave N Shift Values>> N :: 109.91(4.29) T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 172.534 CA :: 61.270 CB :: 70.969 CG2 :: 22.357 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 :: 7.634 HA :: 4.457 HB :: 4.146 HG2 :: 1.050 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 :: 109.928 Ave N Shift Values>> N :: 115.7(5.05) K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.14 M 0.02 C Shift Assignments>> C :: 178.335 CA :: 54.722 CB :: 34.877 CG :: 24.740 CD :: 29.317 CE :: 41.826 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 :: 9.199 HA :: 5.056 HB2 :: 1.784 HG2 :: 1.326 HD2 :: 1.598 HE2 :: 2.792 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.377 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.23 F 0.19 I 0.18 E 0.09 C Shift Assignments>> C :: 175.302 CA :: 58.943 CB :: 38.094 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 :: 8.247 HA :: 4.908 HB2 :: 2.659 HD1 :: 6.809 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 :: 121.201 Ave N Shift Values>> N :: 120.69(4.18) H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 M 0.14 K 0.13 R 0.13 W 0.12 H 0.1 E 0.1 Q 0.06 V 0.03 HN Overlap>> D123 C Shift Assignments>> C :: 173.783 CA :: 57.163 CB :: 31.776 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 :: 7.763 HA :: 4.479 HB2 :: 3.222 HB3 :: 2.588 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 :: 121.446 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.27 K 0.2 G 0.1 C Shift Assignments>> C :: 172.988 CA :: 55.054 CB :: 33.459 CG :: 27.784 CD :: 43.463 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 :: 6.905 HA :: 4.781 HB2 :: 1.236 HG2 :: 0.980 HG3 :: 1.411 HD2 :: 2.968 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 :: 121.765 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.33 G 0.02 C Shift Assignments>> C :: 173.840 CA :: 61.384 CB :: 42.161 CG1 :: 27.750 CG2 :: 16.860 CD1 :: 14.648 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 :: 8.735 HA :: 4.376 HB :: 1.300 HG2 :: 0.738 HG12 :: 1.322 HG13 :: 0.811 HD1 :: 0.676 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 :: 126.801 Ave N Shift Values>> N :: 121.6(4.72) I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.3 C Shift Assignments>> C :: 174.305 CA :: 60.564 CB :: 40.525 CG1 :: 27.620 CG2 :: 17.966 CD1 :: 14.021 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 :: 8.576 HA :: 4.159 HB :: 1.605 HG2 :: 1.005 HG12 :: 1.229 HG13 :: 0.930 HD1 :: 0.714 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 :: 126.146 Ave N Shift Values>> N :: 121.6(4.72) K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 M 0.03 C Shift Assignments>> C :: 175.814 CA :: 58.470 CB :: 32.318 CG :: 24.313 CD :: 28.982 CE :: 41.869 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 :: 8.801 HA :: 3.760 HB2 :: 1.728 HB3 :: 1.605 HG2 :: 1.333 HD2 :: 1.604 HE2 :: 2.918 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 :: 129.743 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.23 C 0.19 D 0.11 L 0.07 I 0.05 N 0.04 K 0.02 E 0.01 HN Overlap>> F82 C Shift Assignments>> C :: 173.346 CA :: 56.898 CB :: 39.623 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 :: 8.710 HA :: 3.961 HB2 :: 2.823 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 :: 118.062 Ave N Shift Values>> N :: 120.73(4.2) F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 C 0.21 I 0.08 D 0.06 L 0.04 E 0.03 N 0.03 C Shift Assignments>> C :: 174.111 CA :: 57.358 CB :: 39.051 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 :: 8.163 HA :: 5.100 HB2 :: 3.004 HD1 :: 7.132 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.890 Ave N Shift Values>> N :: 120.69(4.18) M61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 A 0.25 M 0.07 I 0.07 C Shift Assignments>> C :: 172.343 CA :: 55.298 CB :: 35.303 CG :: 28.402 CE :: 17.059 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 :: 8.251 HA :: 5.094 HB2 :: 1.686 HG2 :: 1.043(S) HG3 :: 0.940(S) HE :: 1.883 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 :: 114.789 Ave N Shift Values>> N :: 120.1(3.88) I62 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 :: 173.052 CA :: 59.829 CB :: 40.502 CG1 :: 26.234 CG2 :: 17.851 CD1 :: 13.801 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 :: 8.275 HA :: 4.512 HB :: 1.179 HG2 :: 0.418 HG12 :: 1.427 HG13 :: 0.823 HD1 :: 0.155 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 :: 114.426 Ave N Shift Values>> N :: 121.6(4.72) Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.31 Q 0.16 E 0.05 K 0.03 C Shift Assignments>> C :: 174.373 CA :: 54.233 CB :: 31.957 CG :: 33.570 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 :: 8.936 HA :: 5.089 HB2 :: 1.840 HB3 :: 1.622 HG2 :: 2.132 HG3 :: 2.349 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 :: 125.602 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.05 C Shift Assignments>> C :: 173.172 CA :: 45.150 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.950 HA2 :: 5.011 HA3 :: 3.090 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.505 Ave N Shift Values>> N :: 109.91(4.29) G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 172.852 CA :: 46.602 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.644 HA2 :: 4.648 HA3 :: 3.868 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.562 Ave N Shift Values>> N :: 109.91(4.29) D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 G 0.23 D 0.22 N 0.11 L 0.1 R 0.02 K 0.02 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.992 CA :: 48.904 CB :: 42.054 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 :: 9.597 HA :: 5.052 HB2 :: 2.843 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 :: 121.338 Ave N Shift Values>> N :: 120.73(4.2) P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.625 CA :: 64.899 CB :: 32.063 CD :: 50.404 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 :: 4.157 HB2 :: 1.913 HB3 :: 1.785 HG2 :: 1.908 HD2 :: 3.559 HD3 :: 3.689 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) T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 177.136 CA :: 62.834 CB :: 70.772 CG2 :: 21.630 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 :: 8.594 HA :: 4.304 HB :: 4.296 HG2 :: 1.247 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 :: 108.171 Ave N Shift Values>> N :: 115.7(5.05) G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 173.342 CA :: 45.906 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.713 HA2 :: 4.025 HA3 :: 3.671 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.069 Ave N Shift Values>> N :: 109.91(4.29) T70 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 :: 176.097 CA :: 63.323 CB :: 71.920 CG2 :: 21.262 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 :: 7.539 HA :: 4.093 HB :: 4.079 HG2 :: 1.092 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 :: 108.743 Ave N Shift Values>> N :: 115.7(5.05) G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.952 CA :: 45.324 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.710 HA2 :: 4.302 HA3 :: 2.889 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.888 Ave N Shift Values>> N :: 109.91(4.29) R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.32 K 0.19 G 0.05 HN Overlap>> K37 D155 C Shift Assignments>> C :: 176.945 CA :: 55.070 CB :: 31.387 CG :: 27.489 CD :: 43.097 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 :: 8.067 HA :: 4.513 HB2 :: 1.884 HB3 :: 1.484 HG2 :: 1.607 HD2 :: 3.103 HD3 :: 3.042 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 :: 120.037 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 174.659 CA :: 45.013 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.645 HA2 :: 4.576 HA3 :: 3.732 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.457 Ave N Shift Values>> N :: 109.91(4.29) G74 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 :: 173.543 CA :: 44.555 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.347 HA2 :: 5.071 HA3 :: 3.987 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.031 Ave N Shift Values>> N :: 109.91(4.29) A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 A 0.29 C 0.17 M 0.11 K 0.03 C Shift Assignments>> C :: 175.147 CA :: 51.214 CB :: 22.690 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.973 HA :: 4.654 HB :: 1.316 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.302 Ave N Shift Values>> N :: 123.23(3.7) S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 S 0.09 C Shift Assignments>> C :: 176.698 CA :: 57.637 CB :: 68.206 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.793 HA :: 4.675 HB2 :: 4.330 HG :: 5.042 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 :: 115.362 Ave N Shift Values>> N :: 116.3(3.95) I77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 176.227 CA :: 63.294 CB :: 38.095 CG1 :: 29.274 CG2 :: 16.564 CD1 :: 14.211 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 :: 8.792 HA :: 3.874 HB :: 1.541 HG2 :: 0.654 HG12 :: -0.199(S) HG13 :: -0.365(S) HD1 :: 0.439 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 :: 112.129 Ave N Shift Values>> N :: 121.6(4.72) Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.23 F 0.21 I 0.13 E 0.08 D 0.02 L 0.01 N 0.01 M 0.01 HN Overlap>> F39 C Shift Assignments>> C :: 175.676 CA :: 58.248 CB :: 38.314 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 :: 7.609 HA :: 4.277 HB2 :: 3.333 HB3 :: 2.551 HD1 :: 6.762 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 :: 118.279 Ave N Shift Values>> N :: 120.79(4.69) G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 172.675 CA :: 45.459 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.387 HA2 :: 3.589 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.388 Ave N Shift Values>> N :: 109.91(4.29) K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.37 R 0.11 M 0.05 A 0.01 C Shift Assignments>> C :: 175.820 CA :: 55.797 CB :: 33.759 CG :: 23.059 CD :: 28.858 CE :: 41.875 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.725 HA :: 4.383 HB2 :: 1.963 HB3 :: 1.788 HG2 :: 1.265 HD2 :: 1.628 HE2 :: 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 :: 117.363 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.24 C 0.24 E 0.09 M 0.09 R 0.05 HN Overlap>> A95 C Shift Assignments>> C :: 176.011 CA :: 55.732 CB :: 29.474 CG :: 33.592 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 :: 8.412 HA :: 5.084 HB2 :: 1.870 HG2 :: 2.338 HG3 :: 2.141 HE21 :: 6.773 HE22 :: 7.316 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 :: 119.164 NE2 :: 110.285 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.19 D 0.16 R 0.12 C 0.1 F 0.08 Y 0.06 N 0.02 HN Overlap>> D59 C Shift Assignments>> C :: 174.234 CA :: 55.355 CB :: 42.025 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 :: 8.710 HA :: 5.105 HB2 :: 2.991 HB3 :: 2.737 HD1 :: 7.229 HE1 :: 7.497 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 :: 117.977 Ave N Shift Values>> N :: 120.69(4.18) E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.1 M 0.09 Q 0.07 I 0.05 C Shift Assignments>> C :: 176.342 CA :: 57.013 CB :: 30.117 CG :: 35.990 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 :: 9.581 HA :: 3.913 HB2 :: 2.027 HG2 :: 2.348 HG3 :: 2.199 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.571 Ave N Shift Values>> N :: 120.68(3.68) D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.2 K 0.17 C 0.1 F 0.09 Y 0.08 R 0.06 N 0.04 C Shift Assignments>> C :: 175.877 CA :: 55.188 CB :: 41.454 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 :: 8.843 HA :: 4.205 HB2 :: 2.456 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.866 Ave N Shift Values>> N :: 120.73(4.2) E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.28 M 0.14 I 0.02 HN Overlap>> K158 C Shift Assignments>> C :: 174.282 CA :: 55.480 CB :: 31.848 CG :: 37.514 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 :: 8.177 HA :: 4.551 HB2 :: 2.265 HB3 :: 2.099 HG2 :: 2.404 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 :: 123.664 Ave N Shift Values>> N :: 120.68(3.68) L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.26 A 0.17 R 0.03 C Shift Assignments>> C :: 176.758 CA :: 54.493 CB :: 41.414 CG :: 26.656 CD1 :: 25.675 CD2 :: 21.747 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 :: 8.450 HA :: 4.390 HB2 :: 1.719 HB3 :: 1.346 HG :: 1.486 HD1 :: 0.776 HD2 :: 0.555 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 :: 122.029 Ave N Shift Values>> N :: 121.98(4.07) H87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 M 0.18 Q 0.15 E 0.14 K 0.14 Y 0.02 W 0.02 H 0.02 R 0.01 N 0.01 V 0.01 C Shift Assignments>> C :: 175.149 CA :: 55.725 CB :: 34.800 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 :: 8.497 HA :: 4.821 HB2 :: 3.065 HB3 :: 2.891 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 :: 124.471 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> CA :: 64.320 CB :: 32.402 CD :: 50.093 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 :: 4.257 HB2 :: 2.211 HB3 :: 1.869 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) D89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.24 L 0.17 C 0.12 K 0.12 F 0.11 Y 0.09 N 0.08 R 0.02 C Shift Assignments>> C :: 176.486 CA :: 54.995 CB :: 40.879 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 :: 10.317(S) HA :: 4.599 HB2 :: 2.667 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 :: 118.104 Ave N Shift Values>> N :: 120.73(4.2) L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.29 A 0.14 R 0.07 G 0.01 C Shift Assignments>> C :: 173.797 CA :: 54.347 CB :: 41.894 CG :: 26.587 CD1 :: 22.169 CD2 :: 26.100 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 :: 7.618 HA :: 4.421 HB2 :: 1.770 HB3 :: 0.969 HG :: 0.980 HD1 :: 0.031 HD2 :: 0.459 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 :: 121.139 Ave N Shift Values>> N :: 121.98(4.07) K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.31 K 0.16 G 0.02 C Shift Assignments>> C :: 176.485 CA :: 54.140 CB :: 37.290 CG :: 25.550 CD :: 28.812 CE :: 42.140 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 :: 7.766 HA :: 4.369 HB2 :: 2.112 HB3 :: 1.443 HG2 :: 1.160 HD2 :: 1.730 HE2 :: 2.907 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 :: 122.957 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.2 E 0.18 I 0.16 F 0.12 M 0.02 K 0.01 V 0.01 C Shift Assignments>> C :: 178.055 CA :: 58.997 CB :: 37.154 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 :: 10.272 HA :: 4.480 HB2 :: 3.088 HB3 :: 2.497 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.572 Ave N Shift Values>> N :: 120.69(4.18) T93 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 :: 175.269 CA :: 61.913 CB :: 69.572 CG2 :: 21.936 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 :: 7.727 HA :: 4.079 HB :: 4.406 HG2 :: 1.042 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 :: 109.302 Ave N Shift Values>> N :: 115.7(5.05) G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 170.303 CA :: 45.129 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.200 HA2 :: 3.875 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.753 Ave N Shift Values>> N :: 109.91(4.29) A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.18 C 0.03 L 0.02 HN Overlap>> Q81 C Shift Assignments>> C :: 177.943 CA :: 52.407 CB :: 19.962 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.398 HA :: 3.689 HB :: 1.091 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.218 Ave N Shift Values>> N :: 123.23(3.7) G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 172.490 CA :: 45.418 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.753 HA2 :: 4.051 HA3 :: 3.080 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.755 Ave N Shift Values>> N :: 109.91(4.29) I97 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 :: 172.737 CA :: 62.311 CB :: 37.638 CG1 :: 26.380 CG2 :: 19.507 CD1 :: 14.282 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 :: 7.726 HA :: 3.729 HB :: 1.960 HG2 :: 0.640 HG12 :: 1.423 HD1 :: 1.016 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 :: 122.055 Ave N Shift Values>> N :: 121.6(4.72) L98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.35 L 0.33 C 0.18 A 0.13 C Shift Assignments>> C :: 172.929 CA :: 53.029 CB :: 44.067 CG :: 25.486 CD1 :: 22.620 CD2 :: 22.573 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 :: 7.457 HA :: 4.584 HB2 :: 0.457(S) HB3 :: 0.101(S) HG :: -0.654(S) HD1 :: 0.030 HD2 :: -0.802(S) 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 :: 128.929 Ave N Shift Values>> N :: 121.98(4.07) A99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.62 C 0.14 L 0.13 K 0.03 R 0.01 C Shift Assignments>> C :: 175.920 CA :: 49.804 CB :: 24.855 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.502 HA :: 5.313 HB :: 0.539(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.480 Ave N Shift Values>> N :: 123.23(3.7) M100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.26 A 0.25 C Shift Assignments>> C :: 177.923 CA :: 52.814 CB :: 31.796 CG :: 31.812 CE :: 16.291 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 :: 8.101 HA :: 5.325 HB2 :: 2.315 HG2 :: 2.044 HE :: 2.030 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 :: 116.120 Ave N Shift Values>> N :: 120.1(3.88) A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.13 C 0.04 L 0.02 C Shift Assignments>> C :: 175.437 CA :: 51.441 CB :: 20.342 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.049 HA :: 4.507 HB :: 1.300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.460 Ave N Shift Values>> N :: 123.23(3.7) N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.16 L 0.15 C 0.12 F 0.09 Y 0.08 K 0.06 R 0.01 C Shift Assignments>> C :: 174.044 CA :: 54.145 CB :: 40.569 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.536 HA :: 4.583 HB2 :: 3.243 HB3 :: 2.867 HD21 :: 6.639 HD22 :: 7.987 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 :: 114.060 ND2 :: 120.147 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 HN Overlap>> I22 C Shift Assignments>> C :: 176.911 CA :: 50.318 CB :: 19.321 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.704 HA :: 4.727 HB :: 1.262 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.368 Ave N Shift Values>> N :: 123.23(3.7) G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.09 C 0.08 D 0.04 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> C :: 171.738 CA :: 43.466 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.025 HA2 :: 4.578 HA3 :: 3.640 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.554 Ave N Shift Values>> N :: 109.91(4.29) P105 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 :: 175.834 CA :: 63.968 CB :: 31.997 CD :: 51.035 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 :: 4.236 HB2 :: 2.176 HB3 :: 1.686 HG2 :: 2.484 HD2 :: 3.410 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) D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 N 0.18 C 0.17 Y 0.16 F 0.14 L 0.07 I 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 175.236 CA :: 55.155 CB :: 39.377 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 :: 8.442 HA :: 3.929 HB2 :: 2.768 HB3 :: 2.529 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 :: 120.576 Ave N Shift Values>> N :: 120.73(4.2) T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.765 CA :: 59.748 CB :: 68.875 CG2 :: 20.920 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 :: 9.634 HA :: 4.398 HB :: 4.313 HG2 :: 0.812 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 :: 109.575 Ave N Shift Values>> N :: 115.7(5.05) N108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.21 F 0.2 C 0.18 D 0.14 N 0.08 L 0.07 I 0.04 K 0.01 E 0.01 C Shift Assignments>> C :: 174.028 CA :: 56.288 CB :: 39.487 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 :: 7.268 HA :: 4.057 HB2 :: 1.367(S) HB3 :: 0.620(S) HD21 :: 6.436 HD22 :: 7.261 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 :: 120.551 ND2 :: 113.440 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G109 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 :: 171.030 CA :: 45.719 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.888 HA2 :: 4.567 HA3 :: 3.572 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.827 Ave N Shift Values>> N :: 109.91(4.29) S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 S 0.27 C Shift Assignments>> C :: 175.672 CA :: 58.381 CB :: 67.475 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.076 HA :: 4.630 HB2 :: 4.483 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 :: 119.066 Ave N Shift Values>> N :: 116.3(3.95) Q111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.25 E 0.24 Q 0.05 I 0.01 C Shift Assignments>> C :: 175.156 CA :: 57.796 CB :: 32.576 CG :: 35.439 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 :: 5.086 HB2 :: 2.045 HG2 :: 2.809 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 :: 124.533 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.24 D 0.11 C 0.1 K 0.09 F 0.04 G 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 171.741 CA :: 55.004 CB :: 43.141 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 :: 8.129 HA :: 5.789 HB2 :: 3.032 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 :: 117.907 Ave N Shift Values>> N :: 120.69(4.18) F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.22 G 0.21 C 0.13 D 0.05 F 0.02 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.234 CA :: 54.969 CB :: 44.175 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 :: 9.620 HA :: 5.663 HB2 :: 2.832 HB3 :: 2.487 HD1 :: 6.446 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 :: 115.815 Ave N Shift Values>> N :: 120.69(4.18) V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> C :: 177.182 CA :: 59.228 CB :: 34.562 CG1 :: 22.058 CG2 :: 20.728 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 :: 8.710 HA :: 5.283 HB :: 1.542 HG1 :: 0.634 HG2 :: 0.647 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.330 Ave N Shift Values>> N :: 121.02(4.96) T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.51 C 0.48 C Shift Assignments>> C :: 176.344 CA :: 62.039 CB :: 71.591 CG2 :: 24.241 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 :: 8.966 HA :: 4.640 HB :: 4.805 HG2 :: 1.474 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 :: 116.368 Ave N Shift Values>> N :: 115.7(5.05) L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.2 R 0.11 G 0.06 A 0.02 C Shift Assignments>> C :: 175.537 CA :: 53.671 CB :: 43.023 CG :: 27.135 CD1 :: 26.187 CD2 :: 23.572 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 :: 8.102 HA :: 4.498 HB2 :: 1.730 HB3 :: 1.131 HG :: 1.178 HD1 :: 0.825 HD2 :: 0.701 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 :: 118.460 Ave N Shift Values>> N :: 121.98(4.07) A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.09 C 0.02 C Shift Assignments>> C :: 172.610 CA :: 50.647 CB :: 19.767 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.951 HA :: 4.449 HB :: 1.312 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.170 Ave N Shift Values>> N :: 123.23(3.7) P118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.44 V 0.36 I 0.08 C 0.07 W 0.02 C Shift Assignments>> C :: 176.314 CA :: 63.996 CB :: 31.487 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 :: 4.005 HB2 :: 2.143 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) T119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.52 C 0.24 A 0.22 C Shift Assignments>> C :: 177.135 CA :: 57.355 CB :: 69.995 CG2 :: 20.030 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 :: 7.582 HA :: 3.534 HB :: 2.680(S) HG2 :: 0.909 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 :: 115.939 Ave N Shift Values>> N :: 115.7(5.05) Q120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.27 I 0.21 K 0.09 Q 0.05 M 0.01 C Shift Assignments>> C :: 176.981 CA :: 60.055 CB :: 29.012 CG :: 35.760 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 :: 9.335 HA :: 4.099 HB2 :: 2.240 HB3 :: 1.994 HG2 :: 2.505 HG3 :: 2.379 HE21 :: 8.307 HE22 :: 6.936 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 :: 123.571 NE2 :: 111.990 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 R 0.16 C 0.15 W 0.08 Q 0.06 K 0.05 L 0.05 H 0.04 E 0.04 P 0.04 C Shift Assignments>> C :: 176.787 CA :: 59.934 CB :: 26.949 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.228 HA :: 4.604 HB2 :: 3.264 HD1 :: 7.040 HE1 :: 9.562 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 :: 117.154 NE1 :: 130.294 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.42 C 0.3 A 0.22 G 0.03 R 0.01 C Shift Assignments>> C :: 176.606 CA :: 54.317 CB :: 42.355 CG :: 25.297 CD1 :: 21.856 CD2 :: 24.860 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 :: 7.414 HA :: 4.241 HB2 :: 1.201 HB3 :: 0.819 HG :: 0.357(S) HD1 :: 0.775 HD2 :: 0.092 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 :: 120.698 Ave N Shift Values>> N :: 121.98(4.07) D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 C 0.16 D 0.11 L 0.1 K 0.07 I 0.04 N 0.02 HN Overlap>> H54 C Shift Assignments>> C :: 178.604 CA :: 57.113 CB :: 40.294 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 :: 7.694 HA :: 4.759 HB2 :: 2.829 HB3 :: 2.640 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.449 Ave N Shift Values>> N :: 120.73(4.2) G124 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 :: 174.677 CA :: 45.694 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.418 HA2 :: 4.207 HA3 :: 3.801 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.674 Ave N Shift Values>> N :: 109.91(4.29) K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.34 R 0.25 G 0.01 M 0.01 C Shift Assignments>> C :: 175.745 CA :: 56.240 CB :: 34.630 CG :: 25.382 CD :: 29.164 CE :: 42.482 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 :: 8.343 HA :: 4.368 HB2 :: 1.880 HB3 :: 1.723 HG2 :: 1.170 HD2 :: 1.273 HE2 :: 2.975 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 :: 115.620 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 M 0.22 Q 0.19 K 0.15 E 0.06 H 0.03 W 0.03 R 0.02 N 0.01 Y 0.01 C Shift Assignments>> C :: 173.954 CA :: 54.332 CB :: 34.127 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 :: 7.042 HA :: 4.598 HB2 :: 3.563 HB3 :: 2.913 HD2 :: 6.061 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 :: 114.499 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.436 CA :: 64.406 CB :: 70.313 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 :: 9.675 HA :: 3.819 HB :: 3.882 HG2 :: 1.442 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 :: 121.601 Ave N Shift Values>> N :: 115.7(5.05) I128 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 175.622 CA :: 61.893 CB :: 38.895 CG1 :: 29.480 CG2 :: 17.763 CD1 :: 11.599 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 :: 8.426 HA :: 4.106 HB :: 1.312 HG2 :: 0.777 HG12 :: 1.278 HG13 :: -0.155(S) HD1 :: -0.412(S) 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 :: 131.845 Ave N Shift Values>> N :: 121.6(4.72) F129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 N 0.16 C 0.16 Y 0.14 F 0.14 L 0.09 K 0.02 I 0.01 C Shift Assignments>> C :: 171.226 CA :: 55.066 CB :: 39.695 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 :: 8.523 HA :: 4.982 HB2 :: 3.368 HB3 :: 2.201 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 :: 120.438 Ave N Shift Values>> N :: 120.69(4.18) G130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 170.859 CA :: 46.070 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.932 HA2 :: 3.454 HA3 :: 1.989(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.837 Ave N Shift Values>> N :: 109.91(4.29) R131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.31 K 0.21 G 0.09 C Shift Assignments>> C :: 174.875 CA :: 54.016 CB :: 32.980 CG :: 27.750 CD :: 43.289 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 :: 8.035 HA :: 4.986 HB2 :: 1.725 HB3 :: 1.528 HG2 :: 1.601 HD2 :: 2.905 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 :: 113.407 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 175.657 CA :: 63.127 CB :: 32.014 CG1 :: 21.561 CG2 :: 22.778 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 :: 9.076 HA :: 4.015 HB :: 1.848 HG1 :: 0.639 HG2 :: 0.669 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 :: 122.133 Ave N Shift Values>> N :: 121.02(4.96) C133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 Q 0.13 E 0.13 W 0.13 R 0.12 C 0.11 K 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 173.884 CA :: 56.635 CB :: 29.782 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.266 HA :: 4.907 HB2 :: 3.177 HB3 :: 2.424 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 :: 125.728 Ave N Shift Values>> N :: 119.95(4.79) Q134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 M 0.31 Q 0.16 E 0.14 K 0.03 C Shift Assignments>> C :: 174.644 CA :: 56.843 CB :: 32.107 CG :: 34.162 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 :: 7.709 HA :: 4.540 HB2 :: 1.848 HG2 :: 2.307 HE21 :: 7.541 HE22 :: 6.841 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 :: 123.460 NE2 :: 111.232 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 176.657 CA :: 45.934 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.729 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.308 CA :: 61.648 CB :: 37.672 CG1 :: 28.365 CG2 :: 18.851 CD1 :: 12.924 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 :: 8.724 HA :: 3.879 HB :: 1.739 HG2 :: 0.834 HG12 :: 1.275 HD1 :: 0.652 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 :: 123.553 Ave N Shift Values>> N :: 121.6(4.72) G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 176.755 CA :: 46.757 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.900 HA2 :: 3.809 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.528 Ave N Shift Values>> N :: 109.91(4.29) M138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.39 A 0.03 I 0.01 C Shift Assignments>> C :: 178.105 CA :: 58.096 CB :: 31.352 CG :: 33.433 CE :: 18.692 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 :: 7.494 HA :: 4.159 HB2 :: 2.259 HB3 :: 1.755 HG2 :: 2.451 HG3 :: 2.635 HE :: 1.985 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 :: 121.474 Ave N Shift Values>> N :: 120.1(3.88) V139 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 :: 177.042 CA :: 66.590 CB :: 31.048 CG1 :: 24.186 CG2 :: 21.503 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 :: 7.549 HA :: 3.065 HB :: 2.305 HG1 :: 0.877 HG2 :: 0.624 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 :: 120.242 Ave N Shift Values>> N :: 121.02(4.96) N140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.22 F 0.16 N 0.11 E 0.09 D 0.07 I 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 177.758 CA :: 56.151 CB :: 38.206 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 :: 8.102 HA :: 4.241 HB2 :: 2.667 HD21 :: 7.379 HD22 :: 6.617 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.670 ND2 :: 110.129 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.1 K 0.07 C Shift Assignments>> C :: 179.986 CA :: 59.359 CB :: 30.299 CG :: 27.816 CD :: 43.543 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 :: 7.383 HA :: 3.959 HB2 :: 1.902 HB3 :: 1.830 HG2 :: 1.799 HG3 :: 1.578 HD2 :: 3.136 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.680 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.617 CA :: 66.235 CB :: 31.145 CG1 :: 22.676 CG2 :: 23.193 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 :: 8.242 HA :: 3.474 HB :: 1.998 HG1 :: 0.839 HG2 :: 0.531 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 :: 123.124 Ave N Shift Values>> N :: 121.02(4.96) G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 173.452 CA :: 46.762 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.868 HA2 :: 3.516 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.199 Ave N Shift Values>> N :: 109.91(4.29) M144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.31 Q 0.16 E 0.07 K 0.03 C Shift Assignments>> C :: 177.103 CA :: 54.564 CB :: 33.797 CG :: 32.098 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 :: 7.080 HA :: 4.480 HB2 :: 2.262 HB3 :: 1.930 HG2 :: 2.659 HG3 :: 2.528 HE :: 1.990 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 :: 115.414 Ave N Shift Values>> N :: 120.1(3.88) V145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.35 C Shift Assignments>> C :: 175.214 CA :: 62.354 CB :: 32.886 CG1 :: 21.407 CG2 :: 18.462 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 :: 7.254 HA :: 4.028 HB :: 2.341 HG1 :: 1.090 HG2 :: 0.936 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.155 Ave N Shift Values>> N :: 121.02(4.96) E146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 K 0.1 M 0.07 I 0.06 Q 0.05 C Shift Assignments>> C :: 177.816 CA :: 57.212 CB :: 29.863 CG :: 36.181 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 :: 8.395 HA :: 4.188 HB2 :: 1.958 HB3 :: 1.873 HG2 :: 2.352 HG3 :: 2.136 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.164 Ave N Shift Values>> N :: 120.68(3.68) T147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.35 A 0.01 C Shift Assignments>> C :: 174.698 CA :: 59.128 CB :: 72.491 CG2 :: 21.243 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 :: 8.561 HA :: 4.993 HB :: 3.888 HG2 :: 0.951 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 :: 116.335 Ave N Shift Values>> N :: 115.7(5.05) N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.17 C 0.17 Y 0.02 F 0.02 L 0.02 C Shift Assignments>> CA :: 50.344 CB :: 39.124 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 :: 8.460 HA :: 4.813 HB2 :: 2.778 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 :: 118.651 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.132 CA :: 61.047 CB :: 62.959 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.232 HB2 :: 3.933 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) Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.23 E 0.14 R 0.04 M 0.03 C Shift Assignments>> C :: 175.169 CA :: 55.319 CB :: 28.757 CG :: 34.400 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 :: 7.754 HA :: 4.444 HB2 :: 2.379 HB3 :: 1.892 HG2 :: 2.252 HE21 :: 7.539 HE22 :: 6.819 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 :: 119.997 NE2 :: 112.547 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.21 C 0.19 D 0.13 L 0.07 N 0.06 I 0.04 E 0.01 K 0.01 C Shift Assignments>> C :: 172.579 CA :: 56.554 CB :: 39.480 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 :: 8.361 HA :: 4.283 HB2 :: 2.969 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 :: 113.614 Ave N Shift Values>> N :: 120.73(4.2) R152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.29 G 0.25 K 0.06 HN Overlap>> A32 C Shift Assignments>> C :: 175.125 CA :: 52.503 CB :: 31.818 CD :: 43.582 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 :: 7.673 HA :: 4.886 HB2 :: 1.638 HB3 :: 1.730 HD2 :: 3.249 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.655 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.4 V 0.39 C 0.09 I 0.04 W 0.02 C Shift Assignments>> C :: 177.305 CA :: 63.261 CB :: 32.258 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 :: 4.546 HB2 :: 2.227 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) V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 176.022 CA :: 65.799 CB :: 31.714 CG1 :: 21.203 CG2 :: 21.022 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 :: 8.200 HA :: 3.573 HB :: 1.857 HG1 :: 0.799 HG2 :: 0.756 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 :: 125.501 Ave N Shift Values>> N :: 121.02(4.96) D155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 C 0.12 R 0.1 K 0.08 N 0.07 F 0.03 G 0.02 Y 0.02 HN Overlap>> R72 C Shift Assignments>> C :: 174.884 CA :: 52.410 CB :: 42.405 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 :: 8.150 HA :: 4.821 HB2 :: 2.517 HB3 :: 2.387 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 :: 120.032 Ave N Shift Values>> N :: 120.73(4.2) D156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.2 K 0.16 C 0.1 F 0.09 Y 0.07 R 0.05 N 0.05 C Shift Assignments>> C :: 176.442 CA :: 55.007 CB :: 41.415 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 :: 8.373 HA :: 4.283 HB2 :: 2.494 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 :: 120.226 Ave N Shift Values>> N :: 120.73(4.2) V157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 174.814 CA :: 62.285 CB :: 32.662 CG1 :: 21.848 CG2 :: 21.050 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 :: 9.403 HA :: 3.997 HB :: 2.153 HG1 :: 1.076 HG2 :: 0.986 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 :: 124.889 Ave N Shift Values>> N :: 121.02(4.96) K158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.32 R 0.22 M 0.01 HN Overlap>> E85 C Shift Assignments>> C :: 176.714 CA :: 54.917 CB :: 36.096 CG :: 25.332 CD :: 29.375 CE :: 41.765 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 :: 8.185 HA :: 4.874 HB2 :: 1.492 HB3 :: 1.408 HG2 :: 1.086 HG3 :: 1.160 HD2 :: 1.494 HE2 :: 2.771 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 :: 123.727 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 174.728 CA :: 62.954 CB :: 37.455 CG1 :: 28.695 CG2 :: 18.333 CD1 :: 13.637 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 :: 8.917 HA :: 3.690 HB :: 1.865 HG2 :: 0.506 HG12 :: 1.201 HD1 :: 0.492 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 :: 121.749 Ave N Shift Values>> N :: 121.6(4.72) I160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 177.449 CA :: 63.690 CB :: 37.810 CG1 :: 28.529 CG2 :: 17.440 CD1 :: 12.395 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 :: 9.236 HA :: 3.731 HB :: 1.732 HG2 :: 0.850 HG12 :: 1.410 HG13 :: 1.050 HD1 :: 0.684 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 :: 130.334 Ave N Shift Values>> N :: 121.6(4.72) K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.29 K 0.17 C Shift Assignments>> C :: 172.837 CA :: 54.870 CB :: 37.342 CG :: 25.254 CD :: 29.509 CE :: 41.785 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 :: 7.674 HA :: 4.492 HB2 :: 1.849 HB3 :: 1.675 HG2 :: 1.382 HD2 :: 1.600 HE2 :: 2.784 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 :: 115.391 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A162 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.32 L 0.3 C 0.23 M 0.08 K 0.02 P 0.01 C Shift Assignments>> C :: 176.088 CA :: 50.068 CB :: 22.836 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.231 HA :: 5.676(S) HB :: 1.285 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.020 Ave N Shift Values>> N :: 123.23(3.7) Y163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 N 0.23 E 0.15 Y 0.1 M 0.07 F 0.05 D 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 171.667 CA :: 54.407 CB :: 36.782 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 :: 7.994 HA :: 4.809 HB2 :: 3.299 HD1 :: 6.926 HE1 :: 6.548 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 :: 113.156 Ave N Shift Values>> N :: 120.79(4.69) P164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.4 C Shift Assignments>> C :: 175.849 CA :: 61.561 CB :: 32.617 CD :: 50.469 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 :: 5.573 HB2 :: 2.133 HD2 :: 3.550 HD3 :: 3.667 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) S165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 173.463 CA :: 59.189 CB :: 65.365 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.567 HA :: 4.604 HB2 :: 3.850 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 :: 113.618 Ave N Shift Values>> N :: 116.3(3.95) G166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.620 CA :: 45.416 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.554 HA2 :: 4.192 HA3 :: 3.971 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.236 Ave N Shift Values>> N :: 109.91(4.29) L167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.26 R 0.1 G 0.02 A 0.01 C Shift Assignments>> C :: 176.148 CA :: 54.877 CB :: 42.528 CG :: 27.266 CD1 :: 25.268 CD2 :: 23.547 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 :: 8.296 HA :: 4.419 HB2 :: 1.643 HG :: 1.522 HD1 :: 0.817 HD2 :: 0.764 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 :: 121.514 Ave N Shift Values>> N :: 121.98(4.07) H168 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H169 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H170 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H171 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H172 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H173 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H174 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 159 #Clerical: 0 #Suspicious: 14 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 160 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 174 #Suspicious: 0 C Shift Results: #Consistent: 613 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 717 #Duplicate: 0 #Unknown: 0 #Suspicious: 21 #Anomalous: 0 N Shift Results: #Consistent: 159 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: N13 HA = 6.054(S), Expected = 4.70, Std = 0.3900, ChiSquare = 5.1699e-04 I22 CG2 = 23.399(S), Expected = 17.36, Std = 1.6000, ChiSquare = 1.6041e-04 K34 C = 181.624(M), Expected = 176.46, Std = 2.0500, ChiSquare = 1.1768e-02 K34 H = 10.416(S), Expected = 8.22, Std = 0.6400, ChiSquare = 6.0081e-04 L42 HD2 = -0.200(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.0677e-04 M61 HG2 = 1.043(S), Expected = 2.44, Std = 0.3600, ChiSquare = 1.0422e-04 M61 HG3 = 0.940(S), Expected = 2.41, Std = 0.4000, ChiSquare = 2.3785e-04 I77 HG12 = -0.199(S), Expected = 1.30, Std = 0.4000, ChiSquare = 1.7861e-04 I77 HG13 = -0.365(S), Expected = 1.24, Std = 0.4000, ChiSquare = 6.0079e-05 D89 H = 10.317(S), Expected = 8.33, Std = 0.5700, ChiSquare = 4.9037e-04 L98 HB2 = 0.457(S), Expected = 1.63, Std = 0.3400, ChiSquare = 5.6059e-04 L98 HB3 = 0.101(S), Expected = 1.57, Std = 0.3600, ChiSquare = 4.4928e-05 L98 HG = -0.654(S), Expected = 1.54, Std = 0.3300, ChiSquare = 2.9613e-11 L98 HD2 = -0.802(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.4250e-08 A99 HB = 0.539(S), Expected = 1.38, Std = 0.2500, ChiSquare = 7.6822e-04 N108 HB2 = 1.367(S), Expected = 2.80, Std = 0.3400, ChiSquare = 2.5010e-05 N108 HB3 = 0.620(S), Expected = 2.78, Std = 0.3400, ChiSquare = 2.1124e-10 T119 HB = 2.680(S), Expected = 4.17, Std = 0.3700, ChiSquare = 5.6487e-05 L122 HG = 0.357(S), Expected = 1.54, Std = 0.3300, ChiSquare = 3.3727e-04 I128 HG13 = -0.155(S), Expected = 1.24, Std = 0.4000, ChiSquare = 4.8756e-04 I128 HD1 = -0.412(S), Expected = 0.70, Std = 0.3000, ChiSquare = 2.1001e-04 G130 HA3 = 1.989(S), Expected = 3.93, Std = 0.4000, ChiSquare = 1.2191e-06 A162 HA = 5.676(S), Expected = 4.26, Std = 0.4200, ChiSquare = 7.4779e-04