M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.23 C 0.21 Q 0.2 K 0.18 H 0.05 R 0.04 E 0.04 V 0.01 C Shift Assignments>> C :: 172.5 CA :: 55.0 CB :: 33.6 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>> HA :: 4.70 HB2 :: 2.49 HB3 :: 2.27 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) I2 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 182.3(S) CA :: 60.4 CB :: 40.1 CG1 :: 28.0 CG2 :: 19.8 CD1 :: 13.5 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 :: 8.32 HA :: 4.91 HB :: 1.71 HG2 :: 0.88 HG12 :: 1.43 HG13 :: 0.71 HD1 :: 0.90 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 :: 121.6 Ave N Shift Values>> N :: 121.6(4.72) I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 HN Overlap>> L75 C Shift Assignments>> C :: 182.1 CA :: 60.4 CB :: 40.4 CG1 :: 28.7 CG2 :: 17.4 CD1 :: 12.9 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 :: 8.84 HA :: 4.61 HB :: 1.68 HG2 :: 0.82 HG12 :: 1.23 HG13 :: 1.51 HD1 :: 0.89 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 :: 126.8 Ave N Shift Values>> N :: 121.6(4.72) Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 C 0.17 Q 0.15 R 0.13 K 0.12 E 0.09 M 0.07 L 0.02 C Shift Assignments>> C :: 180.6 CA :: 53.7 CB :: 29.6 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 :: 8.84 HA :: 4.62 HB2 :: 1.70 HB3 :: 1.31 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 :: 128.37 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 181.6 CA :: 60.5 CB :: 39.9 CG1 :: 27.3 CG2 :: 16.9 CD1 :: 13.4 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 :: 8.76 HA :: 4.06 HB :: 1.54 HG2 :: 0.87 HG12 :: 1.33 HG13 :: 0.96 HD1 :: 0.75 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 :: 127.2 Ave N Shift Values>> N :: 121.6(4.72) E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.2 E 0.14 K 0.09 Q 0.03 C Shift Assignments>> C :: 180.1 CA :: 58.3 CB :: 26.5 CG :: 36.1 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 :: 8.89 HA :: 3.68 HB2 :: 2.35 HB3 :: 2.28 HG2 :: 2.41 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 :: 123.5 Ave N Shift Values>> N :: 120.68(3.68) E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 K 0.17 H 0.16 E 0.13 C 0.12 R 0.11 L 0.04 M 0.03 I 0.02 HN Overlap>> K95 C Shift Assignments>> C :: 180.8 CA :: 56.3 CB :: 28.9 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 :: 8.27 HA :: 4.37 HB2 :: 2.08 HB3 :: 1.77 HG2 :: 2.07 HG3 :: 1.91 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 :: 120.0 Ave N Shift Values>> N :: 120.68(3.68) Y8 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 182.4(M) CA :: 58.0 CB :: 40.4 CD1 :: 133.7 CE1 :: 118.3 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 :: 8.39 HA :: 4.76 HB2 :: 2.87 HB3 :: 2.64 HD1 :: 6.88 HE1 :: 6.86 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 :: 118.7 Ave N Shift Values>> N :: 120.79(4.69) F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.34 C 0.26 C Shift Assignments>> C :: 180.90 CA :: 56.72 CB :: 40.50 CD1 :: 131.24 CE1 :: 131.89 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 :: 9.68 HA :: 4.93 HB2 :: 2.37 HB3 :: 2.66 HD1 :: 7.12 HE1 :: 6.62 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 :: 118.50 Ave N Shift Values>> N :: 120.69(4.18) I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.43 G 0.02 C Shift Assignments>> C :: 180.7 CA :: 60.7 CB :: 42.0 CG1 :: 29.1 CG2 :: 18.7 CD1 :: 15.7 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 :: 9.13 HA :: 3.94 HB :: 1.57 HG2 :: 0.77 HG12 :: 1.24 HG13 :: 0.64 HD1 :: 0.77 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 :: 121.9 Ave N Shift Values>> N :: 121.6(4.72) G11 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 182.5(M) CA :: 44.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.62 HA2 :: 5.09 HA3 :: 3.66 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.89 Ave N Shift Values>> N :: 109.91(4.29) M12 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 E 0.19 M 0.08 I 0.03 C Shift Assignments>> C :: 182.0(M) CA :: 55.4 CB :: 38.4 CG :: 31.9 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 :: 8.96 HA :: 5.22 HB2 :: 1.75 HG2 :: 2.23 HG3 :: 2.31 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 120.1(3.88) I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 181.6 CA :: 59.7 CB :: 39.6 CG1 :: 26.6 CG2 :: 16.9 CD1 :: 11.4 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 :: 8.82 HA :: 4.47 HB :: 1.70 HG2 :: 0.90 HG12 :: 1.43 HG13 :: 1.16 HD1 :: 0.90 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 :: 121.6 Ave N Shift Values>> N :: 121.6(4.72) F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 C 0.33 F 0.24 G 0.03 C Shift Assignments>> C :: 179.51 CA :: 56.49 CB :: 42.54 CD1 :: 133.40 CE1 :: 131.36 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 :: 8.91 HA :: 5.30 HB2 :: 2.95 HB3 :: 2.77 HD1 :: 6.88 HE1 :: 7.30 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 :: 126.22 Ave N Shift Values>> N :: 120.69(4.18) K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.03 C Shift Assignments>> C :: 178.4 CA :: 55.9 CB :: 33.7 CG :: 25.0 CD :: 29.5 CE :: 41.9 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 :: 9.20 HA :: 4.62 HB2 :: 1.82 HB3 :: 1.64 HG2 :: 1.41 HD2 :: 1.73 HE2 :: 2.99 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 :: 122.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.2 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 180.9(S) CA :: 47.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.14 HA2 :: 4.06 HA3 :: 3.77 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.0 Ave N Shift Values>> N :: 109.91(4.29) N17 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.19 D 0.13 Y 0.09 F 0.06 E 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 181.1(M) CA :: 53.4 CB :: 38.2 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 :: 8.91 HA :: 4.75 HB2 :: 2.96 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.3 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 M 0.26 Q 0.22 E 0.12 K 0.1 C Shift Assignments>> C :: 181.3 CA :: 54.7 CB :: 30.9 CG :: 34.1 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 :: 7.97 HA :: 4.47 HB2 :: 2.18 HB3 :: 1.60 HG2 :: 2.32 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.00 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.32 R 0.2 G 0.05 A 0.02 C Shift Assignments>> C :: 179.5 CA :: 56.2 CB :: 42.9 CG :: 26.2 CD1 :: 27.2 CD2 :: 22.5 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 :: 8.74 HA :: 3.84 HB2 :: 1.79 HB3 :: 1.43 HG :: 1.20 HD1 :: 0.34 HD2 :: 0.60 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 :: 128.3 Ave N Shift Values>> N :: 121.98(4.07) V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.4 C Shift Assignments>> CA :: 60.5 CB :: 33.7 CG1 :: 18.8 CG2 :: 21.4 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 :: 8.58 HA :: 5.15 HB :: 2.42 HG1 :: 0.70 HG2 :: 0.98 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 :: 116.1 Ave N Shift Values>> N :: 121.02(4.96) R21 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.26 K 0.23 G 0.08 C Shift Assignments>> C :: 182.3(M) CA :: 56.1 CB :: 33.5 CG :: 28.0 CD :: 43.4 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 :: 7.45 HA :: 4.89 HB2 :: 2.04 HB3 :: 1.41 HG2 :: 1.94 HG3 :: 1.44 HD2 :: 3.26 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N22 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.19 R 0.16 C 0.11 K 0.08 G 0.04 F 0.03 N 0.03 Y 0.02 C Shift Assignments>> C :: 181.8(M) CA :: 53.2 CB :: 42.9 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.21 HA :: 5.59 HB2 :: 2.80 HB3 :: 2.31 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 :: 120.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 HN Overlap>> G138 C Shift Assignments>> CA :: 60.1 CB :: 71.2 CG2 :: 20.2 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 :: 8.28 HA :: 4.82 HB :: 4.22 HG2 :: 1.21 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 :: 106.7 Ave N Shift Values>> N :: 115.7(5.05) I24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.28 I 0.28 V 0.22 C 0.12 R 0.02 E 0.02 H 0.01 C Shift Assignments>> C :: 180.7 CA :: 62.9 CB :: 30.1 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 :: 4.3 HB2 :: 1.40 HB3 :: 0.81 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) L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.47 G 0.41 L 0.1 C Shift Assignments>> C :: 179.4 CA :: 53.2 CB :: 47.1 CG :: 26.5 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 :: 9.05 HA :: 4.76 HB2 :: 1.62 HG :: 0.8 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) R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.16 C 0.15 M 0.13 E 0.12 Q 0.12 K 0.09 C Shift Assignments>> C :: 177.5 CA :: 55.4 CB :: 30.8 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 :: 9.18 HA :: 4.79 HB2 :: 2.35 HB3 :: 1.74 HD2 :: 3.14 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 :: 118.3 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R28 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.33 K 0.24 L 0.03 G 0.01 C Shift Assignments>> C :: 178.4 CA :: 59.0 CB :: 29.7 CG :: 26.5 CD :: 42.4 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 :: 9.37 HA :: 2.92 HB2 :: 1.80 HB3 :: 1.64 HG2 :: 1.05 HG3 :: 1.47 HD2 :: 3.08 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.0 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.3 I 0.14 K 0.12 Q 0.05 C Shift Assignments>> C :: 179.32 CA :: 58.15 CB :: 28.35 CG :: 36.11 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 :: 9.14 HA :: 4.20 HB2 :: 2.09 HG2 :: 2.33 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 113.6 Ave N Shift Values>> N :: 120.68(3.68) E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 C 0.21 K 0.19 M 0.19 R 0.04 H 0.04 V 0.03 E 0.03 C Shift Assignments>> C :: 176.9 CA :: 56.9 CB :: 33.7 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.73 HA :: 4.64 HB2 :: 2.44 HB3 :: 2.28 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.4 Ave N Shift Values>> N :: 120.68(3.68) I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.25 C Shift Assignments>> C :: 180.3 CA :: 62.6 CB :: 37.3 CG1 :: 30.0 CG2 :: 16.5 CD1 :: 14.5 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 :: 7.60 HA :: 4.26 HB :: 1.50 HG2 :: -0.07 HG12 :: 0.97 HD1 :: 0.90 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 :: 116.7 Ave N Shift Values>> N :: 121.6(4.72) F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 C 0.36 F 0.25 HN Overlap>> L70 R153 C Shift Assignments>> C :: 179.0 CA :: 59.0 CB :: 37.0 CD1 :: 132.0 CE1 :: 131.4 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 :: 7.75 HA :: 5.06 HB2 :: 3.39 HB3 :: 2.85 HD1 :: 7.47 HE1 :: 7.20 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 120.69(4.18) N33 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.22 Y 0.12 D 0.09 F 0.08 E 0.06 M 0.02 L 0.01 I 0.01 C Shift Assignments>> C :: 180.4(M) CA :: 54.3 CB :: 37.9 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 :: 7.81 HA :: 4.49 HB2 :: 2.72 HB3 :: 2.39 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 :: 115.8 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.32 F 0.26 G 0.01 C Shift Assignments>> CA :: 59.4 CB :: 41.9 CD1 :: 133.4 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 :: 7.94 HA :: 4.56 HB2 :: 3.37 HB3 :: 2.79 HD1 :: 7.37 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 :: 116.0 Ave N Shift Values>> N :: 120.69(4.18) M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.27 M 0.27 Q 0.05 K 0.02 C Shift Assignments>> C :: 171.2 CA :: 55.4 CB :: 35.8 CG :: 31.8 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 :: 8.15 HA :: 4.52 HB2 :: 1.78 HG2 :: 2.48 HG3 :: 2.70 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 120.1(3.88) D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 C 0.11 K 0.11 N 0.08 R 0.07 F 0.04 Y 0.03 C Shift Assignments>> C :: 179.8 CA :: 52.9 CB :: 42.0 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 :: 8.05 HA :: 5.03 HB2 :: 2.69 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 :: 121.4 Ave N Shift Values>> N :: 120.73(4.2) G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.6 CA :: 44.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.90 HA2 :: 4.18 HA3 :: 4.00 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.7 Ave N Shift Values>> N :: 109.91(4.29) E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 C 0.16 H 0.15 R 0.15 K 0.12 E 0.1 Q 0.09 C Shift Assignments>> C :: 179.7 CA :: 55.1 CB :: 31.4 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 :: 8.25 HA :: 4.55 HB2 :: 2.03 HB3 :: 1.96 HG2 :: 2.26 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.9 Ave N Shift Values>> N :: 120.68(3.68) V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 178.9 CA :: 62.6 CB :: 31.1 CG1 :: 21.5 CG2 :: 21.2 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 :: 8.71 HA :: 4.50 HB :: 2.17 HG1 :: 1.05 HG2 :: 1.17 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 :: 123.9 Ave N Shift Values>> N :: 121.02(4.96) V40 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 :: 179.8 CA :: 62.3 CB :: 32.7 CG1 :: 21.0 CG2 :: 21.5 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 :: 8.74 HA :: 4.19 HB :: 2.11 HG1 :: 1.00 HG2 :: 1.16 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.6 Ave N Shift Values>> N :: 121.02(4.96) S41 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 181.5(M) CA :: 59.4 CB :: 63.7 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.66 HA :: 4.49 HB2 :: 3.94 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 :: 122.2 Ave N Shift Values>> N :: 116.3(3.95) N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.18 D 0.12 Y 0.03 F 0.03 L 0.01 C Shift Assignments>> CA :: 51.1 CB :: 38.4 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 :: 8.31 HA :: 5.15 HB2 :: 2.80 HB3 :: 2.70 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 :: 118.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.41 P 0.31 C 0.14 I 0.04 K 0.02 R 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 178.9 CA :: 62.3 CB :: 32.5 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 :: 4.56 HB2 :: 2.14 HB3 :: 2.03 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) E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 K 0.15 Q 0.09 I 0.04 M 0.04 C Shift Assignments>> C :: 177.7 CA :: 56.1 CB :: 29.1 CG :: 35.9 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 :: 9.17 HA :: 4.21 HB2 :: 2.02 HB3 :: 1.50 HG2 :: 2.33 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 :: 120.7 Ave N Shift Values>> N :: 120.68(3.68) D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> F 0.24 Y 0.21 C 0.16 K 0.11 L 0.09 D 0.07 I 0.06 R 0.01 N 0.01 C Shift Assignments>> C :: 177.2 CA :: 57.9 CB :: 40.6 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 120.73(4.2) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.26 K 0.15 I 0.12 Q 0.11 M 0.01 R 0.01 C Shift Assignments>> CA :: 59.3 CB :: 28.8 CG :: 35.3 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 :: 8.98 HA :: 3.99 HB2 :: 1.79 HG2 :: 2.11 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.9 Ave N Shift Values>> N :: 120.68(3.68) H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.15 E 0.15 H 0.14 M 0.11 K 0.1 Q 0.1 V 0.02 I 0.01 C Shift Assignments>> C :: 178.0 CA :: 57.2 CB :: 31.0 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 :: 6.72 HA :: 4.47 HB2 :: 3.80 HB3 :: 3.15 HD2 :: 5.78 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 :: 117.1 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 K 0.3 C 0.26 R 0.03 C Shift Assignments>> C :: 177.6 CA :: 58.3 CB :: 41.8 CG :: 26.7 CD2 :: 24.8 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 :: 8.10 HA :: 4.05 HB2 :: 1.92 HB3 :: 1.46 HG :: 1.61 HD2 :: 0.94 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 :: 120.6 Ave N Shift Values>> N :: 121.98(4.07) K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.13 R 0.13 V 0.11 M 0.11 E 0.11 H 0.08 Q 0.04 I 0.02 C Shift Assignments>> C :: 176.4 CA :: 59.0 CB :: 31.9 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 :: 8.14 HA :: 4.08 HB2 :: 1.92 HE2 :: 2.96 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.9 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.7 CA :: 67.0 CB :: 31.2 CG1 :: 22.5 CG2 :: 23.0 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 :: 7.36 HA :: 3.61 HB :: 2.47 HG1 :: 1.11 HG2 :: 1.40 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 121.02(4.96) A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.24 I 0.07 C 0.03 C Shift Assignments>> C :: 177.4 CA :: 55.8 CB :: 17.8 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.90 HA :: 3.97 HB :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.1 Ave N Shift Values>> N :: 123.23(3.7) E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 C 0.18 E 0.12 R 0.09 H 0.07 V 0.07 K 0.07 Q 0.07 P 0.02 M 0.02 C Shift Assignments>> C :: 177.0 CA :: 60.5 CB :: 29.6 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 :: 8.55 HA :: 3.76 HB2 :: 2.22 HB3 :: 2.01 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 :: 115.7 Ave N Shift Values>> N :: 120.68(3.68) I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 178.7 CA :: 65.2 CB :: 37.5 CG1 :: 30.5 CG2 :: 18.8 CD1 :: 13.2 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 :: 7.69 HA :: 3.63 HB :: 2.16 HG2 :: 0.90 HG12 :: 1.81 HG13 :: 1.10 HD1 :: 0.82 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 121.6(4.72) I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 HN Overlap>> I125 C Shift Assignments>> C :: 178.3 CA :: 66.4 CB :: 37.1 CG2 :: 17.3 CD1 :: 13.9 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 :: 8.20 HA :: 3.55 HB :: 1.95 HG2 :: 0.83 HD1 :: 0.78 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 :: 122.1 Ave N Shift Values>> N :: 121.6(4.72) L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.36 R 0.05 G 0.01 C Shift Assignments>> C :: 177.7 CA :: 58.3 CB :: 41.9 CG :: 26.3 CD1 :: 24.4 CD2 :: 25.8 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 :: 8.00 HA :: 3.88 HB2 :: 2.06 HB3 :: 1.24 HG :: 1.50 HD1 :: 0.50 HD2 :: 0.83 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 :: 120.4 Ave N Shift Values>> N :: 121.98(4.07) K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 C 0.25 K 0.11 M 0.08 Q 0.08 R 0.05 P 0.04 E 0.04 H 0.03 I 0.02 HN Overlap>> K104 C Shift Assignments>> C :: 176.1 CA :: 60.2 CB :: 33.1 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 :: 7.91 HA :: 4.08 HB2 :: 2.06 HB3 :: 1.51 HE2 :: 2.93 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.35 G 0.11 R 0.09 C Shift Assignments>> C :: 176.0 CA :: 58.1 CB :: 43.4 CG :: 25.6 CD1 :: 26.5 CD2 :: 24.2 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 :: 8.52 HA :: 4.11 HB2 :: 2.27 HB3 :: 1.48 HD1 :: 0.72 HD2 :: 0.86 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 :: 121.1 Ave N Shift Values>> N :: 121.98(4.07) Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> CA :: 60.6 CB :: 38.8 CD1 :: 132.5 CE1 :: 118.8 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 :: 8.09 HA :: 4.02 HB2 :: 3.10 HB3 :: 2.68 HD1 :: 6.43 HD2 :: 6.28 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.8 Ave N Shift Values>> N :: 120.79(4.69) F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.33 H 0.31 C Shift Assignments>> C :: 180.6 CD1 :: 131.7 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 :: 7.23 HA :: 4.25 HB2 :: 3.48 HB3 :: 2.78 HD1 :: 7.40 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 :: 108.4 Ave N Shift Values>> N :: 120.69(4.18) A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.01 C Shift Assignments>> C :: 178.8 CA :: 52.5 CB :: 18.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.35 HA :: 4.50 HB :: 1.49 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.0 Ave N Shift Values>> N :: 123.23(3.7) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 H 0.16 C 0.15 M 0.14 E 0.13 Q 0.11 K 0.1 V 0.01 C Shift Assignments>> C :: 180.5 CA :: 55.9 CB :: 31.0 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 :: 8.95 HA :: 4.34 HB2 :: 2.28 HB3 :: 1.77 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.4 Ave N Shift Values>> N :: 120.68(3.68) I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.17 C 0.16 Y 0.15 R 0.1 I 0.09 L 0.06 D 0.01 C Shift Assignments>> C :: 172.2 CA :: 59.7 CB :: 41.8 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 :: 7.43 HA :: 4.35 HB :: 1.58 HG2 :: 0.61 HD1 :: 0.80 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 :: 116.0 Ave N Shift Values>> N :: 121.6(4.72) D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.21 D 0.14 C 0.11 K 0.08 G 0.04 F 0.04 Y 0.02 N 0.01 C Shift Assignments>> C :: 179.0 CA :: 54.1 CB :: 43.1 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 :: 7.91 HA :: 4.60 HB2 :: 2.53 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 :: 123.8 Ave N Shift Values>> N :: 120.73(4.2) D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 C 0.22 I 0.11 E 0.05 D 0.04 L 0.02 N 0.02 C Shift Assignments>> C :: 178.7 CA :: 57.8 CB :: 38.8 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 :: 9.36 HA :: 4.14 HB2 :: 3.02 HB3 :: 2.71 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.2 Ave N Shift Values>> N :: 120.73(4.2) K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 R 0.14 E 0.13 V 0.12 K 0.1 H 0.09 M 0.08 Q 0.05 I 0.05 P 0.01 HN Overlap>> E154 C Shift Assignments>> CA :: 59.4 CB :: 31.4 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 :: 8.25 HA :: 3.98 HB2 :: 1.92 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.36 R 0.24 C Shift Assignments>> C :: 176.1 CA :: 57.6 CB :: 31.7 CD :: 29.2 CE :: 42.1 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 :: 7.27 HA :: 4.17 HB2 :: 2.01 HB3 :: 1.51 HD2 :: 1.73 HE2 :: 3.00 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 :: 117.6 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.06 C Shift Assignments>> C :: 178.1 CA :: 67.3 CB :: 30.7 CG1 :: 19.0 CG2 :: 20.4 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 :: 7.70 HA :: 3.59 HB :: 2.28 HG1 :: 1.05 HG2 :: 0.98 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 :: 117.9 Ave N Shift Values>> N :: 121.02(4.96) R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 I 0.17 E 0.13 R 0.11 V 0.09 H 0.08 Q 0.07 K 0.06 P 0.03 M 0.02 HN Overlap>> N157 C Shift Assignments>> C :: 179.2 CA :: 60.3 CB :: 30.0 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 :: 7.88 HA :: 4.09 HB2 :: 2.10 HB3 :: 2.33 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 :: 116.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 R 0.16 H 0.15 C 0.14 Q 0.14 K 0.1 M 0.07 I 0.02 V 0.01 HN Overlap>> R119 C Shift Assignments>> C :: 178.3 CA :: 57.2 CB :: 30.2 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.35 HA :: 4.46 HB2 :: 2.22 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 :: 115.1 Ave N Shift Values>> N :: 120.68(3.68) L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 G 0.34 C 0.24 R 0.01 HN Overlap>> F32 R153 C Shift Assignments>> C :: 178.1 CA :: 56.1 CB :: 44.7 CG :: 26.1 CD1 :: 24.6 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 :: 7.70 HA :: 4.42 HB2 :: 1.91 HB3 :: 1.63 HG :: 1.84 HD1 :: 0.88 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 :: 119.2 Ave N Shift Values>> N :: 121.98(4.07) I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 181.0 CA :: 59.4 CB :: 40.2 CG1 :: 26.2 CG2 :: 17.4 CD1 :: 14.6 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 :: 7.82 HA :: 4.62 HB :: 2.03 HG2 :: 0.98 HG12 :: 1.52 HG13 :: 1.36 HD1 :: 0.83 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 :: 114.9 Ave N Shift Values>> N :: 121.6(4.72) S72 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> L85 C Shift Assignments>> C :: 181.9(M) CA :: 57.2 CB :: 63.3 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.52 HA :: 4.77 HB2 :: 3.98 HB3 :: 3.94 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 116.3(3.95) Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 171.0 CA :: 55.4 CB :: 41.4 CD1 :: 133.7 CE1 :: 118.3 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 :: 8.52 HA :: 4.77 HB2 :: 3.98 HB3 :: 3.94 HD1 :: 6.90 HE1 :: 6.90 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 :: 124.8 Ave N Shift Values>> N :: 120.79(4.69) K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.26 M 0.06 I 0.02 Q 0.01 E 0.01 C Shift Assignments>> C :: 181.5 CA :: 55.0 CB :: 35.9 CG :: 24.6 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 :: 8.40 HA :: 4.39 HB2 :: 1.57 HB3 :: 1.63 HG2 :: 1.32 HG3 :: 1.13 HE2 :: 2.99 HE3 :: 2.92 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 :: 120.6 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.26 G 0.16 K 0.01 HN Overlap>> I3 C Shift Assignments>> C :: 180.0 CA :: 53.6 CB :: 43.2 CG :: 24.8 CD2 :: 24.8 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 :: 8.86 HA :: 4.63 HB2 :: 1.77 HB3 :: 1.62 HD2 :: 0.97 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.9 Ave N Shift Values>> N :: 121.98(4.07) E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.17 C 0.13 R 0.11 E 0.1 L 0.05 M 0.03 I 0.01 C Shift Assignments>> C :: 180.8 CA :: 55.2 CB :: 28.8 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 :: 9.14 HA :: 4.75 HB2 :: 2.10 HB3 :: 1.93 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 :: 130.3 Ave N Shift Values>> N :: 120.68(3.68) V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.07 V 0.05 I 0.01 C Shift Assignments>> CA :: 57.6 CB :: 33.7 CG1 :: 17.9 CG2 :: 23.1 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 :: 7.41 HA :: 5.02 HB :: 2.22 HG1 :: 0.71 HG2 :: 1.02 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 :: 113.2 Ave N Shift Values>> N :: 121.02(4.96) P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.42 P 0.29 C 0.14 I 0.03 K 0.02 R 0.01 M 0.01 E 0.01 C Shift Assignments>> C :: 179.3 CA :: 62.3 CB :: 32.7 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 :: 4.65 HB2 :: 2.64 HB3 :: 2.21 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) E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 I 0.24 K 0.06 Q 0.03 M 0.02 C Shift Assignments>> C :: 177.3 CA :: 60.5 CB :: 29.7 CG :: 35.9 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 :: 8.67 HA :: 3.99 HB2 :: 2.22 HB3 :: 2.09 HG2 :: 2.40 HG3 :: 2.36 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 :: 121.2 Ave N Shift Values>> N :: 120.68(3.68) F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.35 C 0.26 C Shift Assignments>> C :: 179.1 CA :: 62.3 CB :: 38.4 CD1 :: 132.0 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 :: 9.19 HA :: 4.19 HB2 :: 3.39 HB3 :: 3.07 HD1 :: 7.30 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 :: 118.7 Ave N Shift Values>> N :: 120.69(4.18) T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 180.1 CA :: 66.8 CB :: 68.5 CG2 :: 20.9 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.94 HA :: 4.13 HB :: 3.52 HG2 :: 1.22 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 :: 113.9 Ave N Shift Values>> N :: 115.7(5.05) K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.2 I 0.09 K 0.02 G 0.01 C Shift Assignments>> C :: 178.6 CD :: 25.2 CE :: 42.1 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 :: 8.30 HA :: 3.54 HB2 :: 2.06 HB3 :: 1.72 HD2 :: 1.36 HE2 :: 3.07 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 :: 122.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.33 R 0.22 I 0.03 C Shift Assignments>> C :: 175.9 CA :: 59.4 CB :: 32.0 CE :: 42.0 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 :: 7.76 HA :: 3.99 HB2 :: 1.92 HB3 :: 1.70 HE2 :: 3.01 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 :: 117.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V84 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 :: 177.6 CA :: 66.4 CB :: 31.8 CG1 :: 23.1 CG2 :: 21.7 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 :: 7.30 HA :: 3.30 HB :: 2.01 HG1 :: 0.83 HG2 :: 0.41 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 :: 117.2 Ave N Shift Values>> N :: 121.02(4.96) L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.16 A 0.06 L 0.05 HN Overlap>> S72 C Shift Assignments>> C :: 177.4 CA :: 57.6 CB :: 39.5 CG :: 26.9 CD1 :: 20.6 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 :: 8.56 HA :: 3.85 HB2 :: 1.85 HB3 :: 1.40 HG :: 0.88 HD1 :: 0.68 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 :: 118.1 Ave N Shift Values>> N :: 121.98(4.07) D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 C 0.17 D 0.11 L 0.1 K 0.05 I 0.05 N 0.03 C Shift Assignments>> C :: 177.3 CA :: 57.0 CB :: 40.1 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 :: 8.63 HA :: 4.39 HB2 :: 2.76 HB3 :: 2.56 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 :: 120.1 Ave N Shift Values>> N :: 120.73(4.2) I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> L122 C Shift Assignments>> CA :: 63.7 CB :: 37.6 CG1 :: 28.8 CG2 :: 17.0 CD1 :: 13.6 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 :: 7.05 HA :: 3.92 HB :: 2.00 HG2 :: 0.78 HG12 :: 1.72 HG13 :: 1.18 HD1 :: 0.85 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 121.6(4.72) V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 179.0 CA :: 65.4 CB :: 30.8 CG1 :: 21.9 CG2 :: 23.6 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 :: 7.71 HA :: 3.30 HB :: 1.97 HG1 :: 0.53 HG2 :: 0.90 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.1 Ave N Shift Values>> N :: 121.02(4.96) K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.22 K 0.17 M 0.13 V 0.11 Q 0.11 R 0.08 E 0.06 H 0.06 I 0.01 C Shift Assignments>> C :: 180.9 CA :: 58.7 CB :: 32.83 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 :: 7.88 HA :: 3.83 HB2 :: 1.82 HE2 :: 3.06 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) D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.2 K 0.13 C 0.1 N 0.08 F 0.07 Y 0.06 R 0.04 C Shift Assignments>> CA :: 54.1 CB :: 41.4 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 6.92 HA :: 4.75 HB2 :: 2.90 HB3 :: 2.59 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.1 Ave N Shift Values>> N :: 120.73(4.2) I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 63.0 CB :: 37.5 CG2 :: 18.0 CD1 :: 16.2 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 :: 7.85 HA :: 3.79 HB :: 1.67 HG2 :: 0.76 HD1 :: 0.67 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 :: 123.5 Ave N Shift Values>> N :: 121.6(4.72) E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.38 M 0.11 I 0.06 K 0.03 Q 0.01 C Shift Assignments>> C :: 181.3 CA :: 57.2 CB :: 30.9 CG :: 36.7 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 :: 8.77 HA :: 3.99 HB2 :: 1.90 HB3 :: 1.89 HG2 :: 2.43 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 :: 112.1 Ave N Shift Values>> N :: 120.68(3.68) F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 H 0.28 F 0.19 C Shift Assignments>> C :: 179.2 CA :: 59.0 CD1 :: 132.0 CE1 :: 132.7 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 :: 8.57 HA :: 3.85 HB2 :: 3.20 HB3 :: 3.05 HD1 :: 7.41 HE1 :: 7.41 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.5 Ave N Shift Values>> N :: 120.69(4.18) G94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 182.4(S) CA :: 45.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.58 HA2 :: 4.42 HA3 :: 3.33 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.1 Ave N Shift Values>> N :: 109.91(4.29) K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.24 Q 0.19 K 0.15 H 0.04 E 0.04 R 0.03 N 0.01 HN Overlap>> E7 C Shift Assignments>> C :: 180.7 CA :: 53.7 CB :: 33.9 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 :: 8.31 HA :: 4.75 HB2 :: 1.97 HE2 :: 3.01 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 :: 120.0 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.83 C 0.14 T 0.01 C Shift Assignments>> CA :: 59.0 CB :: 64.6 CG2 :: 21.2 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 :: 7.38 HA :: 5.37 HB :: 4.22 HG2 :: 0.96 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 104.7 Ave N Shift Values>> N :: 115.7(5.05) L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 G 0.19 A 0.12 L 0.12 C Shift Assignments>> C :: 179.9 CA :: 53.6 CB :: 47.9 CD1 :: 24.7 CD2 :: 23.5 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 :: 8.58 HA :: 4.76 HB2 :: 1.68 HB3 :: 1.41 HD1 :: 0.80 HD2 :: 0.97 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 :: 119.6 Ave N Shift Values>> N :: 121.98(4.07) T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 C 0.37 A 0.01 C Shift Assignments>> C :: 177.7 CA :: 59.0 CB :: 72.5 CG2 :: 21.4 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 :: 8.56 HA :: 5.82 HB :: 4.90 HG2 :: 1.00 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 :: 108.6 Ave N Shift Values>> N :: 115.7(5.05) Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 176.4 CA :: 61.9 CB :: 37.9 CD1 :: 133.4 CE1 :: 118.2 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 :: 7.84 HA :: 3.87 HB2 :: 3.32 HB3 :: 3.04 HD1 :: 7.06 HE1 :: 6.91 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 :: 117.6 Ave N Shift Values>> N :: 120.79(4.69) G100 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 :: 179.8 CA :: 46.7 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.79 HA2 :: 4.12 HA3 :: 3.81 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.9 Ave N Shift Values>> N :: 109.91(4.29) D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.18 Y 0.14 L 0.13 C 0.13 D 0.07 R 0.06 I 0.03 C Shift Assignments>> C :: 176.3 CA :: 57.6 CB :: 41.3 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 :: 8.16 HA :: 4.45 HB2 :: 3.06 HB3 :: 2.68 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 :: 123.3 Ave N Shift Values>> N :: 120.73(4.2) I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> K146 C Shift Assignments>> C :: 178.8 CA :: 65.5 CB :: 37.4 CG1 :: 28.7 CG2 :: 17.9 CD1 :: 14.2 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 :: 7.53 HA :: 3.55 HB :: 1.98 HG2 :: 0.91 HG12 :: 1.89 HG13 :: 0.86 HD1 :: 0.71 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 121.6(4.72) A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 176.1 CA :: 54.7 CB :: 17.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.76 HA :: 3.71 HB :: 1.41 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.8 Ave N Shift Values>> N :: 123.23(3.7) K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.15 M 0.12 R 0.12 V 0.11 E 0.1 H 0.08 Q 0.05 I 0.02 HN Overlap>> K56 C Shift Assignments>> C :: 175.9 CA :: 58.9 CB :: 32.2 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 :: 7.96 HA :: 4.24 HB2 :: 1.98 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.16 M 0.12 V 0.11 R 0.1 E 0.08 Q 0.08 H 0.07 I 0.01 C Shift Assignments>> C :: 177.8 CA :: 58.8 CB :: 32.5 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 :: 7.35 HA :: 4.12 HB2 :: 1.98 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.01 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.24 R 0.14 A 0.1 G 0.07 C Shift Assignments>> C :: 180.1 CA :: 53.6 CB :: 43.0 CG :: 26.1 CD1 :: 27.2 CD2 :: 22.6 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 :: 7.50 HA :: 4.48 HB2 :: 1.80 HB3 :: 1.57 HG :: 1.55 HD1 :: 0.79 HD2 :: 0.60 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 :: 114.7 Ave N Shift Values>> N :: 121.98(4.07) N107 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.12 C 0.1 R 0.02 D 0.01 C Shift Assignments>> C :: 181.9(M) CA :: 53.6 CB :: 45.6(S) 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 :: 7.84 HA :: 4.47 HB2 :: 3.19 HB3 :: 2.77 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.8 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.21 A 0.06 C Shift Assignments>> CA :: 58.7 CB :: 69.1 CG2 :: 19.5 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 :: 8.31 HA :: 4.88 HB :: 3.99 HG2 :: 1.34 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 :: 113.5 Ave N Shift Values>> N :: 115.7(5.05) S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 54.7 CB :: 64.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.74 HA :: 5.21 HB2 :: 3.94 HB3 :: 3.95 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.5 Ave N Shift Values>> N :: 116.3(3.95) P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.54 P 0.32 I 0.07 C 0.04 C Shift Assignments>> C :: 177.0 CA :: 65.9 CB :: 31.7 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 :: 4.07 HB2 :: 2.14 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) R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.13 G 0.05 L 0.02 C Shift Assignments>> C :: 177.4 CA :: 58.9 CB :: 29.7 CG :: 26.7 CD :: 43.1 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 :: 7.97 HA :: 3.98 HB2 :: 1.92 HB3 :: 1.73 HG2 :: 1.61 HG3 :: 1.54 HD2 :: 3.19 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 :: 117.6 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.29 I 0.05 C 0.02 C Shift Assignments>> C :: 174.1 CA :: 55.4 CB :: 17.7 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.86 HA :: 4.13 HB :: 1.53 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.8 Ave N Shift Values>> N :: 123.23(3.7) V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.0 CA :: 67.1 CB :: 31.5 CG1 :: 22.5 CG2 :: 23.0 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 :: 7.64 HA :: 3.69 HB :: 2.55 HG1 :: 1.12 HG2 :: 1.40 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 :: 117.7 Ave N Shift Values>> N :: 121.02(4.96) G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.25 P 0.05 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 179.1 CA :: 47.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.34 HA2 :: 3.82 HA3 :: 3.4 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.8 Ave N Shift Values>> N :: 109.91(4.29) M115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.18 M 0.15 Q 0.14 V 0.08 R 0.07 H 0.05 E 0.05 C Shift Assignments>> C :: 178.0 CA :: 58.3 CB :: 33.1 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 :: 8.16 HA :: 4.19 HB2 :: 2.62 HB3 :: 2.18 HG2 :: 2.72 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 120.1(3.88) A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.44 C 0.03 I 0.01 L 0.01 V 0.01 C Shift Assignments>> CA :: 54.7 CB :: 19.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.73 HA :: 4.28 HB :: 1.66 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.7 Ave N Shift Values>> N :: 123.23(3.7) L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 L 0.3 C 0.23 I 0.04 R 0.04 C Shift Assignments>> CA :: 57.6 CB :: 41.3 CD1 :: 24.3 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 :: 8.09 HA :: 3.96 HB2 :: 2.10 HB3 :: 1.82 HG :: 1.07 HD1 :: 0.87 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 :: 115.0 Ave N Shift Values>> N :: 121.98(4.07) K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.35 R 0.2 I 0.03 C Shift Assignments>> CA :: 59.0 CB :: 32.0 CE :: 41.8 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 :: 7.64 HA :: 4.05 HB2 :: 1.96 HG2 :: 1.42 HD2 :: 1.70 HD3 :: 1.59 HE2 :: 2.93 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.31 G 0.08 K 0.07 L 0.04 HN Overlap>> E69 C Shift Assignments>> C :: 179.7 CA :: 54.7 CB :: 29.8 CG :: 27.2 CD :: 43.3 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 :: 7.30 HA :: 4.41 HB2 :: 2.19 HB3 :: 2.00 HG2 :: 1.83 HG3 :: 1.70 HD2 :: 3.27 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 :: 115.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.28 D 0.03 Y 0.03 M 0.03 E 0.02 F 0.01 C Shift Assignments>> CA :: 51.1 CB :: 37.0 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 :: 7.27 HA :: 4.50 HB2 :: 3.16 HB3 :: 2.77 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 :: 118.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.43 V 0.4 C 0.08 I 0.05 C Shift Assignments>> CA :: 63.5 CB :: 32.1 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 :: 4.65 HB2 :: 2.32 HB3 :: 2.56 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) L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.26 C 0.25 K 0.1 R 0.04 A 0.02 HN Overlap>> I87 C Shift Assignments>> CA :: 51.3 CB :: 43.3 CG :: 28.6 CD1 :: 24.0 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 :: 7.03 HA :: 5.42 HB2 :: 1.34 HG :: 0.73 HD1 :: 0.67 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 :: 119.47 Ave N Shift Values>> N :: 121.98(4.07) P123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.43 V 0.35 I 0.13 C 0.06 C Shift Assignments>> CA :: 64.5 CB :: 31.0 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 :: 4.65 HB2 :: 2.16 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) L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.26 L 0.06 K 0.05 HN Overlap>> K148 C Shift Assignments>> CA :: 60.7 CB :: 40.1 CD1 :: 22.9 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 :: 8.22 HA :: 3.64 HD1 :: 0.78 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 :: 115.1 Ave N Shift Values>> N :: 121.98(4.07) I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 HN Overlap>> I54 C Shift Assignments>> C :: 180.3 CA :: 65.0 CB :: 37.5 CG1 :: 29.3 CG2 :: 16.5 CD1 :: 12.4 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 :: 8.18 HA :: 3.19 HB :: 1.52 HG2 :: 0.30 HG12 :: 1.28 HG13 :: 0.73 HD1 :: 0.50 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 :: 122.1 Ave N Shift Values>> N :: 121.6(4.72) I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> CA :: 63.4 CG1 :: 28.0 CG2 :: 17.5 CD1 :: 12.9 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 :: 8.31 HA :: 4.45 HB :: 2.08 HG2 :: 0.75 HG12 :: 1.07 HD1 :: 0.83 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 :: 116.3 Ave N Shift Values>> N :: 121.6(4.72) P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.72 C 0.12 V 0.04 P 0.04 R 0.02 E 0.01 K 0.01 C Shift Assignments>> CA :: 63.4 CB :: 28.0 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 :: 4.60 HB2 :: 1.67 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) C128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 C 0.18 V 0.16 P 0.1 E 0.09 R 0.08 H 0.05 Q 0.03 K 0.03 M 0.01 C Shift Assignments>> C :: 179.3 CA :: 61.2 CB :: 30.2 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.39 HA :: 4.10 HB2 :: 3.48 HB3 :: 2.74 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 :: 126.2 Ave N Shift Values>> N :: 119.95(4.79) H129 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 E 0.15 H 0.15 C 0.13 R 0.12 M 0.04 I 0.03 L 0.01 C Shift Assignments>> C :: 182.8(M) CA :: 57.2 CB :: 29.3 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 :: 8.10 HA :: 4.22 HB2 :: 2.77 HB3 :: 2.36 HE1 :: 8.49 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 E 0.16 R 0.16 Q 0.14 C 0.13 K 0.1 M 0.07 I 0.02 V 0.01 C Shift Assignments>> CA :: 56.7 CB :: 30.1 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 :: 7.07 HA :: 4.06 HB2 :: 1.32 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 :: 114.6 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 180.5 CA :: 60.1 CB :: 30.7 CG1 :: 21.7 CG2 :: 22.4 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.84 HA :: 4.75 HB :: 1.78 HG1 :: 0.07 HG2 :: 0.56 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 :: 117.5 Ave N Shift Values>> N :: 121.02(4.96) V132 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 V 0.04 A 0.01 I 0.01 C Shift Assignments>> C :: 182.3(M) CA :: 58.7 CB :: 34.3 CG1 :: 17.2 CG2 :: 21.3 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 :: 8.47 HA :: 4.51 HB :: 2.46 HG1 :: 0.71 HG2 :: 0.87 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 121.02(4.96) A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 178.3 CA :: 50.0 CB :: 17.5 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.33 HA :: 5.47 HB :: 1.66 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.9 Ave N Shift Values>> N :: 123.23(3.7) K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.36 R 0.17 I 0.03 C Shift Assignments>> C :: 178.3 CA :: 59.2 CB :: 32.2 CE :: 41.7 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 :: 8.35 HA :: 4.05 HB2 :: 2.02 HB3 :: 1.88 HE2 :: 3.07 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N135 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.17 L 0.14 Y 0.13 C 0.13 R 0.08 D 0.06 I 0.03 C Shift Assignments>> C :: 181.4(M) CA :: 57.7 CB :: 41.5 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 :: 8.26 HA :: 5.00 HB2 :: 2.97 HB3 :: 2.82 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S136 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 182.2(M) CA :: 57.7 CB :: 64.6 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.37 HA :: 4.68 HB2 :: 4.19 HB3 :: 3.99 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.8 Ave N Shift Values>> N :: 116.3(3.95) L137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.27 G 0.13 K 0.02 C Shift Assignments>> C :: 177.8 CA :: 56.5 CB :: 43.5 CD1 :: 23.7 CD2 :: 25.3 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 :: 8.70 HA :: 4.30 HB2 :: 1.86 HB3 :: 1.52 HD1 :: 0.89 HD2 :: 0.94 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 :: 118.5 Ave N Shift Values>> N :: 121.98(4.07) G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 HN Overlap>> T23 C Shift Assignments>> C :: 170.9 CA :: 45.3 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.33 HA2 :: 4.41 HA3 :: 3.90 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.7 Ave N Shift Values>> N :: 109.91(4.29) G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 R 0.26 L 0.25 C 0.1 F 0.03 D 0.03 Y 0.01 K 0.01 C Shift Assignments>> CA :: 44.1 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.84 HA2 :: 4.64 HA3 :: 3.80 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.4 Ave N Shift Values>> N :: 109.91(4.29) Y140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.25 C 0.19 I 0.08 D 0.07 L 0.06 K 0.02 N 0.02 E 0.01 C Shift Assignments>> CA :: 57.6 CB :: 39.7 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 :: 8.59 HA :: 4.66 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 :: 117.13 Ave N Shift Values>> N :: 120.79(4.69) S141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 181.0(S) CA :: 60.9 CB :: 61.9 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.017 HB2 :: 3.592 HB3 :: 3.357 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) Y142 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 181.6(M) CA :: 57.9 CB :: 39.2 CD1 :: 133.7 CE1 :: 118.3 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 :: 5.62(M) HA :: 4.33 HB2 :: 3.17 HB3 :: 2.38 HD1 :: 6.14 HE1 :: 6.31 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 :: 113.8 Ave N Shift Values>> N :: 120.79(4.69) G143 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 180.5(S) CA :: 44.2 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.65 HA2 :: 4.86 HA3 :: 4.08 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.6 Ave N Shift Values>> N :: 109.91(4.29) L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.37 R 0.04 C Shift Assignments>> C :: 177.5 CA :: 58.1 CB :: 41.7 CG :: 27.2 CD1 :: 24.0 CD2 :: 24.5 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 :: 9.11 HA :: 4.10 HB2 :: 1.93 HB3 :: 1.75 HG :: 1.91 HD1 :: 0.95 HD2 :: 1.06 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.4 Ave N Shift Values>> N :: 121.98(4.07) D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.23 F 0.2 I 0.06 D 0.06 E 0.06 N 0.05 L 0.03 M 0.01 C Shift Assignments>> CA :: 56.9 CB :: 38.6 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 :: 9.17 HA :: 4.30 HB2 :: 2.85 HB3 :: 2.68 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.8 Ave N Shift Values>> N :: 120.73(4.2) K146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 R 0.16 E 0.13 M 0.13 K 0.12 H 0.12 Q 0.08 V 0.04 I 0.01 HN Overlap>> I102 C Shift Assignments>> C :: 178.7 CA :: 57.6 CB :: 31.4 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 :: 7.52 HA :: 4.29 HB2 :: 2.27 HB3 :: 1.97 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.19 K 0.11 Q 0.11 M 0.09 E 0.07 R 0.02 I 0.02 H 0.02 Y 0.01 P 0.01 C Shift Assignments>> C :: 178.5 CA :: 59.9 CB :: 34.0 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 :: 7.23 HA :: 3.23 HB2 :: 1.83 HB3 :: 1.36 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.25 Q 0.2 R 0.08 M 0.06 E 0.06 I 0.01 HN Overlap>> L124 C Shift Assignments>> C :: 178.2 CA :: 59.4 CB :: 33.0 CD :: 29.4 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 :: 8.18 HA :: 3.75 HB2 :: 1.87 HD2 :: 1.71 HE2 :: 2.99 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 :: 115.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.38 C 0.21 C Shift Assignments>> CA :: 61.1 CB :: 39.2 CD1 :: 131.7 CE1 :: 131.4 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 :: 7.48 HA :: 4.09 HB2 :: 3.30 HB3 :: 3.19 HD1 :: 6.83 HE1 :: 6.73 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 :: 118.2 Ave N Shift Values>> N :: 120.69(4.18) I150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 176.9 CA :: 65.0 CB :: 39.7 CG1 :: 28.0 CG2 :: 18.4 CD1 :: 15.2 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 :: 7.86 HA :: 3.27 HB :: 1.15 HG2 :: 0.24 HG12 :: 1.84 HG13 :: 0.90 HD1 :: 0.65 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.0 Ave N Shift Values>> N :: 121.6(4.72) L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 V 0.23 T 0.18 K 0.08 C 0.06 M 0.06 I 0.02 A 0.01 C Shift Assignments>> C :: 175.1 CD2 :: 22.9 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 :: 7.93 HA :: 3.72 HB2 :: 1.80 HB3 :: 1.27 HD2 :: 0.79 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 :: 116.8 Ave N Shift Values>> N :: 121.98(4.07) E152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.15 C 0.15 K 0.13 Q 0.12 I 0.11 H 0.11 R 0.11 M 0.02 V 0.02 L 0.01 C Shift Assignments>> CA :: 59.0 CB :: 29.2 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 :: 8.28 HA :: 3.96 HB2 :: 2.07 HB3 :: 1.90 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 120.68(3.68) R153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 Q 0.16 E 0.14 C 0.13 H 0.13 R 0.1 I 0.06 L 0.03 M 0.02 HN Overlap>> F32 L70 C Shift Assignments>> C :: 176.6 CA :: 57.8 CB :: 28.8 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 :: 7.77 HA :: 3.82 HB2 :: 1.73 HB3 :: 1.58 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 C 0.16 K 0.12 E 0.12 R 0.1 Q 0.1 H 0.09 V 0.02 L 0.01 M 0.01 P 0.01 HN Overlap>> K65 C Shift Assignments>> C :: 178.1 CA :: 59.8 CB :: 28.7 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 :: 8.19 HA :: 3.69 HB2 :: 1.70 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.6 Ave N Shift Values>> N :: 120.68(3.68) R155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 C 0.16 R 0.13 H 0.12 Q 0.11 K 0.1 I 0.09 M 0.04 V 0.03 C Shift Assignments>> CA :: 59.0 CB :: 29.8 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 :: 7.55 HA :: 4.06 HB2 :: 1.93 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 :: 117.1 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 V 0.13 C Shift Assignments>> CD1 :: 23.2 CD2 :: 24.4 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 :: 7.92 HA :: 4.15 HB2 :: 1.75 HB3 :: 1.58 HD1 :: 0.87 HD2 :: 0.88 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 :: 118.0 Ave N Shift Values>> N :: 121.98(4.07) N157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.18 C 0.17 Y 0.09 F 0.07 L 0.03 E 0.01 HN Overlap>> R68 C Shift Assignments>> CA :: 53.63 CB :: 38.72 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 :: 7.97 HA :: 4.88 HB2 :: 3.20 HB3 :: 3.03 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.24 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) M158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.18 C 0.18 R 0.12 H 0.1 E 0.08 Q 0.08 V 0.02 C Shift Assignments>> CA :: 56.5 CB :: 32.3 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 :: 7.86 HA :: 4.88 HB2 :: 3.20 HB3 :: 3.03 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 120.1(3.88) V159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.25 M 0.03 I 0.01 C Shift Assignments>> CA :: 62.2 CB :: 32.7 CG2 :: 20.9 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 :: 8.01 HA :: 4.24 HB :: 2.11 HG2 :: 0.91 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 :: 120.1 Ave N Shift Values>> N :: 121.02(4.96) S160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.96 T 0.03 C Shift Assignments>> CA :: 59.8 CB :: 65.2 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.86 HA :: 4.32 HB2 :: 3.88 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) F161 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K162 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable F163 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N164 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K165 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V166 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Y167 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 146 #Clerical: 0 #Suspicious: 6 #Anomalous: 14 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 158 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 166 #Suspicious: 1 C Shift Results: #Consistent: 559 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 15 H Shift Results: #Consistent: 739 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 N Shift Results: #Consistent: 147 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: I2 C = 182.3(S), Expected = 175.82, Std = 1.9500, ChiSquare = 8.9030e-04 Y8 C = 182.4(M), Expected = 175.39, Std = 1.8900, ChiSquare = 2.0808e-04 G11 C = 182.5(M), Expected = 174.04, Std = 1.9400, ChiSquare = 1.2957e-05 M12 C = 182.0(M), Expected = 176.30, Std = 2.1300, ChiSquare = 7.4494e-03 G16 C = 180.9(S), Expected = 174.04, Std = 1.9400, ChiSquare = 4.0611e-04 N17 C = 181.1(M), Expected = 175.16, Std = 1.7600, ChiSquare = 7.3816e-04 R21 C = 182.3(M), Expected = 176.49, Std = 2.1600, ChiSquare = 7.1492e-03 N22 C = 181.8(M), Expected = 175.16, Std = 1.7600, ChiSquare = 1.6147e-04 R28 SRO Rule Break>> HA > HD2 : 0.991153846153846 N33 C = 180.4(M), Expected = 175.16, Std = 1.7600, ChiSquare = 2.9083e-03 S41 C = 181.5(M), Expected = 174.53, Std = 1.7300, ChiSquare = 5.6038e-05 S72 C = 181.9(M), Expected = 174.53, Std = 1.7300, ChiSquare = 2.0432e-05 G94 C = 182.4(S), Expected = 174.04, Std = 1.9400, ChiSquare = 1.6379e-05 N107 Typing: Mistyped N107 C = 181.9(M), Expected = 175.16, Std = 1.7600, ChiSquare = 1.2838e-04 N107 CB = 45.6(S), Expected = 38.66, Std = 1.7800, ChiSquare = 9.6640e-05 H129 C = 182.8(M), Expected = 175.19, Std = 2.1400, ChiSquare = 3.7644e-04 V132 C = 182.3(M), Expected = 175.69, Std = 2.0300, ChiSquare = 1.1293e-03 N135 C = 181.4(M), Expected = 175.16, Std = 1.7600, ChiSquare = 3.9194e-04 S136 C = 182.2(M), Expected = 174.53, Std = 1.7300, ChiSquare = 9.2704e-06 S141 C = 181.0(S), Expected = 174.53, Std = 1.7300, ChiSquare = 1.8410e-04 Y142 C = 181.6(M), Expected = 175.39, Std = 1.8900, ChiSquare = 1.0172e-03 Y142 H = 5.62(M), Expected = 8.37, Std = 0.7500, ChiSquare = 2.4573e-04 G143 C = 180.5(S), Expected = 174.04, Std = 1.9400, ChiSquare = 8.6878e-04