M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.26 C 0.26 Q 0.23 K 0.13 E 0.08 R 0.01 C Shift Assignments>> CA :: 55.24 CB :: 33.48 CG :: 30.85 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 :: 4.047 HB2 :: 2.125 HB3 :: 2.125 HG2 :: 2.611 HG3 :: 2.611 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) R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.32 C 0.31 K 0.26 M 0.08 Q 0.01 C Shift Assignments>> C :: 175.06 CA :: 55.86 CB :: 30.54 CG :: 28.81 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>> HA :: 4.032 HB2 :: 1.893 HB3 :: 1.433 HG2 :: 1.705 HD2 :: 3.013 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) D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 N 0.08 F 0.08 Y 0.06 R 0.04 C Shift Assignments>> C :: 175.3 CA :: 54.37 CB :: 41.28 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 :: 8.4563 HA :: 4.6325 HB2 :: 2.72 HB3 :: 2.62 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.374 Ave N Shift Values>> N :: 120.73(4.2) W4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 H 0.14 E 0.13 K 0.13 W 0.13 R 0.11 C 0.11 M 0.04 I 0.02 L 0.01 HN Overlap>> R107 V132 C Shift Assignments>> C :: 174.35 CA :: 56.63 CB :: 29.46 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.267 HA :: 4.734 HB2 :: 3.38 HB3 :: 3.194 HD1 :: 7.265 HE1 :: 10.0888 HE3 :: 7.571 HZ2 :: 7.338 HZ3 :: 6.951 HH2 :: 7.003 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.67 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 C 0.25 P 0.07 K 0.06 Q 0.05 W 0.04 M 0.04 E 0.04 I 0.03 R 0.01 Y 0.01 H 0.01 C Shift Assignments>> C :: 174.64 CA :: 61.19 CB :: 33.92 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 :: 7.7952 HA :: 4.084 HB :: 1.959 HG1 :: 0.907 HG2 :: 0.834 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 :: 121.029 Ave N Shift Values>> N :: 121.02(4.96) I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.24 C 0.2 I 0.08 D 0.07 L 0.04 N 0.03 E 0.02 C Shift Assignments>> CA :: 57.38 CB :: 39.24 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 :: 7.9921 HA :: 4.482 HB :: 1.772 HG2 :: 0.847 HG12 :: 1.366 HG13 :: 1.133 HD1 :: 0.66 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 :: 125.492 Ave N Shift Values>> N :: 121.6(4.72) P7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.38 V 0.34 C 0.1 I 0.07 W 0.04 R 0.01 E 0.01 C Shift Assignments>> C :: 176.36 CA :: 62.93 CB :: 31.74 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) I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.23 I 0.2 C 0.17 K 0.04 L 0.03 D 0.01 HN Overlap>> E116 C Shift Assignments>> C :: 174.73 CA :: 59.85 CB :: 40.3 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 :: 8.4595 HA :: 4.294 HB :: 1.865 HG2 :: 0.845 HG12 :: 1.041 HD1 :: 0.588 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 :: 124.392 Ave N Shift Values>> N :: 121.6(4.72) S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> F19 C Shift Assignments>> C :: 173.32 CA :: 56.55 CB :: 64.83 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.5412 HA :: 5.464 HB2 :: 3.727 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 :: 122.18 Ave N Shift Values>> N :: 116.3(3.95) C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.13 Q 0.13 C 0.12 W 0.12 E 0.11 K 0.09 M 0.07 C Shift Assignments>> CA :: 55.42 CB :: 30.04 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.9401 HA :: 5.041 HB2 :: 2.977 HB3 :: 2.371 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 :: 124.361 Ave N Shift Values>> N :: 119.95(4.79) P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.37 P 0.24 C 0.15 W 0.06 I 0.04 K 0.03 R 0.02 E 0.01 M 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 176.95 CA :: 61.9 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 :: 4.694 HB2 :: 1.893 HB3 :: 1.425 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) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.15 K 0.13 W 0.11 C 0.11 E 0.11 R 0.11 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 174.83 CA :: 55.67 CB :: 29.39 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 :: 8.2241 HA :: 4.208 HB2 :: 1.905 HG2 :: 2.211 HG3 :: 2.121 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 :: 119.256 Ave N Shift Values>> N :: 120.68(3.68) N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.24 Y 0.09 E 0.07 D 0.06 F 0.05 M 0.03 C Shift Assignments>> C :: 174.15 CA :: 53.57 CB :: 37.44 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 :: 8.901 HA :: 4.359 HB2 :: 3.077 HB3 :: 2.818 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 114.937 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.36 I 0.14 M 0.06 K 0.01 HN Overlap>> V64 C Shift Assignments>> C :: 175.78 CA :: 58.16 CB :: 30.82 CG :: 37.42 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 :: 8.8361 HA :: 4.197 HB2 :: 2.158 HB3 :: 1.988 HG2 :: 2.415 HG3 :: 2.2 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 :: 119.337 Ave N Shift Values>> N :: 120.68(3.68) K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 M 0.22 Q 0.19 K 0.15 E 0.04 H 0.04 W 0.03 R 0.03 C Shift Assignments>> C :: 176.05 CA :: 54.28 CB :: 33.94 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 :: 8.2646 HA :: 4.677 HB2 :: 1.955 HB3 :: 1.716 HG2 :: 1.485 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 :: 120.529 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.23 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.25 CA :: 44.33 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.1948 HA2 :: 3.897 HA3 :: 3.696 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.573 Ave N Shift Values>> N :: 109.91(4.29) E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.11 K 0.09 Q 0.06 I 0.02 C Shift Assignments>> C :: 174.96 CA :: 55.87 CB :: 30.23 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 :: 8.1122 HA :: 4.253 HB2 :: 1.861 HB3 :: 1.757 HG2 :: 2.211 HG3 :: 2.111 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 :: 120.789 Ave N Shift Values>> N :: 120.68(3.68) F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.17 K 0.17 D 0.15 F 0.15 C 0.12 Y 0.12 R 0.04 N 0.03 I 0.01 HN Overlap>> S10 N142 C Shift Assignments>> CA :: 56.28 CB :: 41.09 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 :: 8.5254 HA :: 4.2196 HB2 :: 2.756 HB3 :: 2.587 HD1 :: 7.036 HD2 :: 7.036 HE1 :: 7.167 HE2 :: 7.167 HZ :: 7.208 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 :: 122.104 Ave N Shift Values>> N :: 120.69(4.18) P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.28 I 0.25 V 0.21 E 0.07 Y 0.06 F 0.02 P 0.02 K 0.01 M 0.01 C Shift Assignments>> C :: 175.38 CA :: 61.96 CB :: 35.59 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) K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 M 0.18 E 0.16 K 0.1 Q 0.09 N 0.05 Y 0.04 H 0.01 F 0.01 W 0.01 C Shift Assignments>> C :: 175.38 CA :: 54.66 CB :: 35.33 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 :: 8.7524 HA :: 4.589 HB2 :: 1.72 HB3 :: 1.65 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 :: 120.636 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.2 D 0.11 Y 0.1 F 0.07 E 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 175.42 CA :: 53.8 CB :: 38.07 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 :: 8.7541 HA :: 4.538 HB2 :: 2.41 HB3 :: 2.275 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 :: 123.788 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.28 C 0.12 G 0.1 D 0.05 F 0.04 K 0.04 Y 0.03 C Shift Assignments>> C :: 175.78 CA :: 55.79 CB :: 43.79 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 :: 9.6163 HG :: 1.788 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.144 Ave N Shift Values>> N :: 121.98(4.07) V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 V 0.49 C Shift Assignments>> C :: 169.84 CA :: 60.08 CB :: 33.87 CG1 :: 20.49 CG2 :: 19.9 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 :: 7.568 HA :: 4.454 HB :: 2.18 HG1 :: 0.833 HG2 :: 0.747 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 :: 114.03 Ave N Shift Values>> N :: 121.02(4.96) Q25 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.28 R 0.17 C 0.14 Q 0.1 H 0.1 K 0.08 W 0.05 E 0.02 C Shift Assignments>> C :: 174.19 CA :: 53.47 CB :: 27.21 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 :: 8.0687 HA :: 3.811 HB2 :: 1.117(S) HG2 :: 0.74(S) HG3 :: -1.082(M) 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 :: 127.72 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.43 M 0.04 C Shift Assignments>> C :: 173.34 CA :: 60.15 CB :: 36.25 CD1 :: 12.224 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 :: 8.2715 HA :: 3.733 HB :: 1.562 HG2 :: 0.646 HG12 :: 1.142 HG13 :: 1.005 HD1 :: 0.58 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.685 Ave N Shift Values>> N :: 121.6(4.72) K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.17 E 0.16 K 0.09 Q 0.08 N 0.06 Y 0.04 F 0.01 H 0.01 W 0.01 C Shift Assignments>> C :: 175.22 CA :: 54.57 CB :: 35.41 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 :: 7.531 HA :: 4.412 HB2 :: 1.529 HB3 :: 1.291 HG2 :: 1.075 HE2 :: 2.803 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 :: 122.618 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.32 CA :: 56.73 CB :: 64.06 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.3417 HA :: 4.584 HB2 :: 3.629 HB3 :: 3.513 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 :: 118.58 Ave N Shift Values>> N :: 116.3(3.95) N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.21 Y 0.11 D 0.11 F 0.08 E 0.04 L 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 175.87 CA :: 54.05 CB :: 38.08 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 :: 9.0877 HA :: 4.592 HB2 :: 2.774 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 :: 125.492 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.15 K 0.14 W 0.11 C 0.11 E 0.11 R 0.1 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 175.92 CA :: 55.8 CB :: 29.19 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.3685 HA :: 4.259 HB2 :: 1.831 HG2 :: 1.56 HD2 :: 3.122 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.596 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.15 L 0.14 C 0.12 F 0.1 Y 0.09 K 0.06 C Shift Assignments>> C :: 176.65 CA :: 54.4 CB :: 40.43 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 :: 7.8975 HA :: 4.258 HB2 :: 2.916 HB3 :: 2.594 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 :: 120.059 Ave N Shift Values>> N :: 120.73(4.2) K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.16 C 0.16 M 0.16 R 0.11 W 0.1 H 0.09 Q 0.08 E 0.07 V 0.02 C Shift Assignments>> C :: 177.08 CA :: 56.79 CB :: 32.35 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 :: 7.7625 HA :: 4.2204 HB2 :: 1.839 HB3 :: 1.686 HG2 :: 1.478 HG3 :: 1.383 HE2 :: 3.019 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 :: 119.115 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 M 0.15 K 0.07 Q 0.07 I 0.02 C Shift Assignments>> C :: 175.71 CA :: 56.53 CB :: 30.7 CG :: 35.91 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 :: 8.125 HA :: 4.318 HB2 :: 2.091 HB3 :: 1.981 HG2 :: 2.214 HG3 :: 2.214 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 :: 118.69 Ave N Shift Values>> N :: 120.68(3.68) T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.6 CA :: 60.25 CB :: 69.92 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 :: 7.7578 HA :: 4.33 HB :: 3.968 HG2 :: 0.983 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.777 Ave N Shift Values>> N :: 115.7(5.05) K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 C 0.15 K 0.15 R 0.12 H 0.11 W 0.1 E 0.08 Q 0.05 V 0.01 C Shift Assignments>> C :: 174.91 CA :: 56.04 CB :: 32.06 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 :: 7.9303 HA :: 4.216 HB2 :: 1.662 HG2 :: 1.157 HG3 :: 1.054 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.762 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.47 C Shift Assignments>> C :: 172.73 CA :: 60.09 CB :: 34.06 CG1 :: 21.51 CG2 :: 22.52 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 :: 7.7925 HA :: 4.257 HB :: 1.522 HG1 :: 0.552 HG2 :: 0.289 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.637 Ave N Shift Values>> N :: 121.02(4.96) F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.18 K 0.13 C 0.11 F 0.1 Y 0.09 N 0.07 R 0.03 C Shift Assignments>> C :: 175.41 CA :: 54.99 CB :: 41.03 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 :: 8.8536 HA :: 5.041 HB2 :: 2.86 HB3 :: 2.584 HD1 :: 7.028 HD2 :: 7.028 HE1 :: 7.117 HE2 :: 7.117 HZ :: 6.905 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 :: 122.836 Ave N Shift Values>> N :: 120.69(4.18) Y38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.18 Y 0.14 C 0.13 L 0.13 R 0.08 D 0.05 I 0.03 C Shift Assignments>> C :: 175.7 CA :: 58.01 CB :: 41.59 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.492 HA :: 5.6574 HB2 :: 3.034 HB3 :: 2.763 HD1 :: 7.058 HD2 :: 7.058 HE1 :: 6.49 HE2 :: 6.49 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 :: 122.469 Ave N Shift Values>> N :: 120.79(4.69) S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 172.74 CA :: 57.26 CB :: 65.63 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.7987 HA :: 4.77 HB2 :: 3.954 HB3 :: 3.927 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.047 Ave N Shift Values>> N :: 116.3(3.95) I40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.32 L 0.17 C 0.16 G 0.13 F 0.07 Y 0.05 K 0.04 D 0.01 C Shift Assignments>> C :: 174.64 CA :: 58.25 CB :: 43.81 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 :: 8.6398 HA :: 6.086(S) HB :: 1.599 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 :: 114.769 Ave N Shift Values>> N :: 121.6(4.72) T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.73 CA :: 59.18 CB :: 72.43 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.3532 HA :: 4.945 HB :: 4.57 HG2 :: 1.17 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 :: 114.368 Ave N Shift Values>> N :: 115.7(5.05) G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 G 0.06 K 0.05 D 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 174.84 CA :: 43.25 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.5333 HA2 :: 5.188 HA3 :: 4.075 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.057 Ave N Shift Values>> N :: 109.91(4.29) Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 R 0.14 Q 0.13 C 0.11 W 0.11 H 0.1 E 0.09 L 0.06 I 0.06 M 0.01 C Shift Assignments>> C :: 174.88 CA :: 57.65 CB :: 28.16 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 :: 8.9627 HA :: 3.984 HB2 :: 2.391 HB3 :: 2.391 HG2 :: 2.707 HG3 :: 2.707 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.778 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.05 C Shift Assignments>> C :: 172.32 CA :: 45.15 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.9644 HA2 :: 4.25 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.34 Ave N Shift Values>> N :: 109.91(4.29) A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 175.22 CA :: 51.51 CB :: 18.81 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.5204 HA :: 5.2935 HB :: 1.349 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.278 Ave N Shift Values>> N :: 123.23(3.7) D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.25 C 0.12 L 0.11 F 0.07 Y 0.07 K 0.03 C Shift Assignments>> C :: 175.1 CA :: 53.43 CB :: 40.21 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 :: 9.0885 HA :: 4.797 HB2 :: 3.001 HB3 :: 2.876 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.849 Ave N Shift Values>> N :: 120.73(4.2) K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 M 0.21 K 0.1 P 0.1 H 0.08 Q 0.07 R 0.06 W 0.05 E 0.01 C Shift Assignments>> CA :: 52.31 CB :: 32.68 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 :: 7.8526 HA :: 4.884 HB2 :: 2.009 HG2 :: 1.349 HG3 :: 1.3 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 :: 122.817 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.38 P 0.22 C 0.16 W 0.06 I 0.03 K 0.03 R 0.02 M 0.02 E 0.01 Q 0.01 H 0.01 C Shift Assignments>> C :: 174 CA :: 61.84 CB :: 32.63 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) V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.25 I 0.12 M 0.03 C Shift Assignments>> C :: 179.52 CA :: 62.84 CB :: 32.17 CG1 :: 19.36 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 :: 8.2283 HA :: 3.461 HB :: 1.899 HG1 :: 0.899 HG2 :: 0.803 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.057 Ave N Shift Values>> N :: 121.02(4.96) G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.91 CA :: 45.76 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.1571 HA2 :: 3.862 HA3 :: 3.607 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.096 Ave N Shift Values>> N :: 109.91(4.29) V52 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 :: 173.93 CA :: 66.25 CB :: 31.14 CG1 :: 22.62 CG2 :: 22 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 :: 7.6529 HA :: 3.021 HB :: 1.974 HG1 :: 0.733 HG2 :: -0.019 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.111 Ave N Shift Values>> N :: 121.02(4.96) F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.18 D 0.18 C 0.1 R 0.09 F 0.08 Y 0.06 N 0.03 C Shift Assignments>> C :: 174.76 CA :: 55.26 CB :: 41.84 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 :: 8.3465 HA :: 5.506 HB2 :: 2.72 HB3 :: 2.211 HD1 :: 6.742 HD2 :: 6.742 HE1 :: 6.106 HE2 :: 6.106 HZ :: 6.452 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.912 Ave N Shift Values>> N :: 120.69(4.18) I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 K 0.18 L 0.14 F 0.14 C 0.13 Y 0.09 D 0.03 I 0.02 G 0.01 C Shift Assignments>> C :: 172.99 CA :: 58.39 CB :: 42.48 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 :: 8.6102 HA :: 4.726 HB :: 1.897 HG2 :: 0.799 HG12 :: 0.863 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 :: 113.984 Ave N Shift Values>> N :: 121.6(4.72) I55 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 G 0.2 A 0.08 HN Overlap>> N104 C Shift Assignments>> C :: 173.55 CA :: 57.69 CB :: 43.12 CG1 :: 16.89(S) 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 :: 8.773 HA :: 5.6058 HB :: 1.912 HG2 :: 0.849 HG12 :: 1.093 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 :: 121.239 Ave N Shift Values>> N :: 121.6(4.72) E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.08 K 0.06 I 0.05 Q 0.02 C Shift Assignments>> C :: 177.12 CA :: 56.09 CB :: 30.1 CG :: 36.72 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 :: 8.5599 HA :: 4.4837 HB2 :: 2.147 HB3 :: 2.147 HG2 :: 2.532 HG3 :: 2.459 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 :: 129.878 Ave N Shift Values>> N :: 120.68(3.68) R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.13 R 0.13 H 0.09 Q 0.07 V 0.06 K 0.05 I 0.05 M 0.05 C Shift Assignments>> C :: 177.25 CA :: 59.14 CB :: 30.64 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.8412 HA :: 4.5043 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 :: 130.008 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.32 I 0.14 M 0.04 K 0.01 C Shift Assignments>> C :: 177.99 CA :: 57.64 CB :: 30.73 CG :: 37.95 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 :: 9.1497 HA :: 4.821 HB2 :: 2.362 HB3 :: 2.2031 HG2 :: 2.518 HG3 :: 2.481 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 :: 111.978 Ave N Shift Values>> N :: 120.68(3.68) T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.98 CA :: 61.54 CB :: 70.34 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 :: 7.4757 HA :: 4.702 HB :: 4.021 HG2 :: 1.164 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 :: 106.397 Ave N Shift Values>> N :: 115.7(5.05) G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 174.33 CA :: 45.03 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.3727 HA2 :: 4.02 HA3 :: 2.81 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.244 Ave N Shift Values>> N :: 109.91(4.29) W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 W 0.14 C 0.14 E 0.09 K 0.09 R 0.08 Q 0.07 H 0.07 V 0.02 P 0.01 M 0.01 L 0.01 C Shift Assignments>> C :: 173.98 CA :: 60.09 CB :: 28.71 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.6678 HA :: 4.398 HB2 :: 2.889 HD1 :: 7.12 HE1 :: 9.9246 HE3 :: 7.571 HZ2 :: 7.338 HZ3 :: 6.951 HH2 :: 7.003 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.514 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.24 C 0.11 D 0.1 G 0.09 K 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.55 CA :: 54.43 CB :: 43.52 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 :: 9.3549 HA :: 5.0376 HB2 :: 2.23 HB3 :: 1.28 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.972 Ave N Shift Values>> N :: 121.98(4.07) K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 N 0.24 E 0.15 Y 0.09 M 0.08 F 0.04 K 0.02 D 0.02 C Shift Assignments>> C :: 174.03 CA :: 54.22 CB :: 36.71 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 :: 9.6108 HA :: 5.5101 HB2 :: 1.457 HG2 :: 1.61 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.379 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.16 V 0.15 K 0.11 HN Overlap>> E15 C Shift Assignments>> C :: 176.54 CA :: 57.94 CB :: 34.67 CG2 :: 22.49 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 :: 8.8527 HA :: 5.34 HB :: 2.128 HG1 :: 1.243 HG2 :: 1.008 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 :: 119.349 Ave N Shift Values>> N :: 121.02(4.96) T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.81 CA :: 62.87 CB :: 69.66 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.1403 HA :: 4.164 HB :: 4.481 HG2 :: 0.94 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.368 Ave N Shift Values>> N :: 115.7(5.05) Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 H 0.18 Q 0.1 R 0.09 W 0.09 K 0.08 P 0.07 M 0.06 E 0.04 L 0.02 C Shift Assignments>> CA :: 52.07 CB :: 29.52 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 :: 7.1344 HA :: 3.598 HB2 :: 1.924 HB3 :: 1.832 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.218 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.32 P 0.25 C 0.14 W 0.07 I 0.07 R 0.03 E 0.02 K 0.02 H 0.01 M 0.01 C Shift Assignments>> C :: 176.18 CA :: 61.95 CB :: 31.81 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 :: 4.362 HB2 :: 1.971 HB3 :: 1.844 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) L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.19 D 0.14 C 0.12 G 0.11 K 0.04 F 0.02 Y 0.02 N 0.01 C Shift Assignments>> CA :: 53.39 CB :: 43.44 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 :: 9.3033 HA :: 4.588 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 :: 123.638 Ave N Shift Values>> N :: 121.98(4.07) D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 C 0.11 K 0.1 R 0.08 N 0.08 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.53 CA :: 52.68 CB :: 42.14 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 :: 8.4364 HA :: 5.021 HB2 :: 2.862 HB3 :: 2.611 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 :: 119.918 Ave N Shift Values>> N :: 120.73(4.2) R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.13 C 0.13 H 0.11 Q 0.1 K 0.06 M 0.05 I 0.03 V 0.03 C Shift Assignments>> C :: 175.99 CA :: 58.25 CB :: 30.37 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 :: 9.1298 HA :: 3.931 HB2 :: 1.707 HB3 :: 1.657 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 128.521 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.2 K 0.06 M 0.01 C Shift Assignments>> C :: 176.56 CA :: 57.97 CB :: 28.77 CG :: 37.03 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 :: 8.0421 HA :: 3.929 HB2 :: 2.124 HB3 :: 2.036 HG2 :: 2.325 HG3 :: 2.325 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 :: 116.174 Ave N Shift Values>> N :: 120.68(3.68) A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.3 C 0.02 C Shift Assignments>> C :: 177.12 CA :: 53.51 CB :: 18.87 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.273 HA :: 4.3495 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 :: 122.449 Ave N Shift Values>> N :: 123.23(3.7) I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.43 C Shift Assignments>> C :: 174 CA :: 61.61 CB :: 41.13 CD1 :: 16.71 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 :: 7.2309 HA :: 3.901 HB :: 1.609 HG2 :: 0.844 HG12 :: 0.81 HD1 :: 0.068 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 :: 116.595 Ave N Shift Values>> N :: 121.6(4.72) A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.19 C 0.02 L 0.01 HN Overlap>> E95 C Shift Assignments>> C :: 176.53 CA :: 52.5 CB :: 19.52 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4612 HA :: 4.49 HB :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.787 Ave N Shift Values>> N :: 123.23(3.7) K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.18 E 0.17 K 0.11 Q 0.1 N 0.04 Y 0.04 H 0.01 W 0.01 F 0.01 C Shift Assignments>> C :: 173.16 CA :: 54.96 CB :: 35.26 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 :: 7.1307 HA :: 5.25 HB2 :: 1.713 HB3 :: 1.587 HG2 :: 1.29 HG3 :: 1.135 HE2 :: 2.81 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 :: 119.194 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 Y 0.16 D 0.16 C 0.14 L 0.14 K 0.1 N 0.04 I 0.02 R 0.01 C Shift Assignments>> C :: 173.75 CA :: 56.39 CB :: 40.53 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.482 HB2 :: 2.802 HD1 :: 7.143 HD2 :: 7.143 HE1 :: 6.655 HE2 :: 6.655 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.328 Ave N Shift Values>> N :: 120.79(4.69) I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.28 C Shift Assignments>> C :: 174.12 CA :: 60.53 CB :: 38.66 CG2 :: 21.18 CD1 :: 13.78 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 :: 8.6808 HA :: 4.077 HB :: 1.803 HG2 :: 0.85 HG12 :: 1.563 HG13 :: 1.066 HD1 :: 0.614 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 :: 122.585 Ave N Shift Values>> N :: 121.6(4.72) L78 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 C 0.06 A 0.01 C Shift Assignments>> C :: 174.37 CA :: 51.59 CB :: 45.21 CD1 :: 13.77(S) 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 :: 8.9223 HA :: 5.136 HB2 :: 1.375 HB3 :: 1.314 HG :: 0.669 HD1 :: 0.532 HD2 :: 0.466 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.593 Ave N Shift Values>> N :: 121.98(4.07) Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 F 0.17 L 0.15 Y 0.14 C 0.14 K 0.12 N 0.04 I 0.02 R 0.02 HN Overlap>> S84 C Shift Assignments>> C :: 175.31 CA :: 56.24 CB :: 40.7 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 :: 8.8639 HA :: 5.306 HB2 :: 2.811 HB3 :: 2.3 HD1 :: 6.841 HD2 :: 6.841 HE1 :: 6.778 HE2 :: 6.778 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.312 Ave N Shift Values>> N :: 120.79(4.69) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 175.4 CA :: 56.2 CB :: 65.26 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.1831 HA :: 5.456 HB2 :: 3.696 HB3 :: 3.549 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 :: 116.871 Ave N Shift Values>> N :: 116.3(3.95) H81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 C 0.17 H 0.13 K 0.12 R 0.12 W 0.09 E 0.06 Q 0.06 HN Overlap>> T99 C Shift Assignments>> C :: 173.45 CA :: 54.33 CB :: 31.8 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 :: 8.9709 HA :: 5.046 HB2 :: 3.208 HB3 :: 2.84 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.938 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.08 C 0.04 L 0.02 C Shift Assignments>> C :: 176.12 CA :: 50.3 CB :: 20.45 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.7644 HA :: 4.956 HB :: 0.903 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.258 Ave N Shift Values>> N :: 123.23(3.7) V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.14 A 0.03 C Shift Assignments>> C :: 174.4 CA :: 58.47 CB :: 35.81 CG1 :: 19.36 CG2 :: 20.37 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 :: 8.8977 HA :: 5.2131 HB :: 1.898 HG1 :: 0.898 HG2 :: 0.829 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 :: 119.86 Ave N Shift Values>> N :: 121.02(4.96) S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> Y79 C Shift Assignments>> C :: 177.34 CA :: 56.33 CB :: 64.92 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.7832 HA :: 5.107 HB2 :: 4.405 HB3 :: 3.857 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 :: 116.391 Ave N Shift Values>> N :: 116.3(3.95) S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.27 CA :: 61.6 CB :: 62.48 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.2929 HA :: 4.71 HB2 :: 4.63 HB3 :: 4.53 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 :: 117.852 Ave N Shift Values>> N :: 116.3(3.95) N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.19 D 0.1 Y 0.06 F 0.04 E 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 175.77 CA :: 52.46 CB :: 37.96 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 :: 7.9915 HA :: 4.73 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 :: 117.951 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 173.5 CA :: 45.01 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.035 HA2 :: 4.207 HA3 :: 3.475 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.317 Ave N Shift Values>> N :: 109.91(4.29) E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.37 M 0.1 K 0.08 Q 0.03 I 0.02 C Shift Assignments>> C :: 175.5 CA :: 55.19 CB :: 30.08 CG :: 36.44 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 :: 7.6761 HA :: 4.315 HB2 :: 2.079 HB3 :: 1.981 HG2 :: 2.352 HG3 :: 2.352 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 :: 120.965 Ave N Shift Values>> N :: 120.68(3.68) A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.24 C 0.01 C Shift Assignments>> C :: 178.78 CA :: 52.71 CB :: 18.31 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.7392 HA :: 4.695 HB :: 1.533 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.674 Ave N Shift Values>> N :: 123.23(3.7) V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 C 0.36 M 0.12 I 0.11 C Shift Assignments>> C :: 174.47 CA :: 61.07 CB :: 31.85 CG1 :: 19.45 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 :: 8.532 HA :: 4.305 HB :: 2.041 HG1 :: 0.847 HG2 :: 0.614 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 :: 117.615 Ave N Shift Values>> N :: 121.02(4.96) E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.22 K 0.15 Q 0.13 H 0.08 R 0.07 W 0.05 E 0.02 C Shift Assignments>> C :: 175.79 CA :: 53.67 CB :: 32.97 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 :: 7.3881 HA :: 4.52 HB2 :: 2.039 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 :: 116.774 Ave N Shift Values>> N :: 120.68(3.68) D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.23 C 0.14 Y 0.08 F 0.07 L 0.05 C Shift Assignments>> CA :: 53.33 CB :: 39.21 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 :: 9.0057 HA :: 4.929 HB2 :: 2.796 HB3 :: 2.556 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 :: 123.954 Ave N Shift Values>> N :: 120.73(4.2) P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.4 V 0.36 C 0.09 I 0.06 W 0.03 R 0.01 C Shift Assignments>> C :: 176.2 CA :: 63.21 CB :: 31.86 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 :: 4.71 HB2 :: 1.985 HB3 :: 1.903 HG2 :: 2.196 HG3 :: 2.371 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) M94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.21 Q 0.12 K 0.11 E 0.1 N 0.05 Y 0.02 H 0.02 W 0.01 R 0.01 C Shift Assignments>> C :: 173.94 CA :: 53.81 CB :: 34.92 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 :: 8.5305 HA :: 4.71 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 :: 124.642 Ave N Shift Values>> N :: 120.1(3.88) E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.13 C 0.13 M 0.12 W 0.12 E 0.11 K 0.09 Q 0.09 V 0.01 HN Overlap>> A74 C Shift Assignments>> C :: 174.42 CA :: 56.08 CB :: 31.1 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 :: 8.4762 HA :: 3.9 HB2 :: 1.715 HB3 :: 1.697 HG2 :: 1.837 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.793 Ave N Shift Values>> N :: 120.68(3.68) I96 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 M 0.01 C Shift Assignments>> C :: 173.25 CA :: 59.78 CB :: 39.64 CG1 :: 16.74(S) 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 :: 9.14 HA :: 4.029 HB :: 1.357 HG2 :: 0.467 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.227 Ave N Shift Values>> N :: 121.6(4.72) V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.29 C 0.21 W 0.08 P 0.08 K 0.07 M 0.05 R 0.04 Q 0.04 E 0.03 I 0.02 H 0.02 C Shift Assignments>> C :: 175.12 CA :: 60.76 CB :: 32.81 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 :: 8.2299 HA :: 4.618 HB :: 1.805 HG1 :: 0.841 HG2 :: 0.824 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 :: 127.015 Ave N Shift Values>> N :: 121.02(4.96) I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 173.39 CA :: 59.34 CB :: 39.85 CD1 :: 13.215 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 :: 9.0113 HA :: 4.815 HB :: 1.584 HG2 :: 0.556 HG12 :: 1.012 HD1 :: -0.154 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.663 Ave N Shift Values>> N :: 121.6(4.72) T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> H81 C Shift Assignments>> C :: 172.71 CA :: 61.17 CB :: 69.8 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 :: 8.947 HA :: 4.74 HB :: 4.06 HG2 :: 1.17 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 :: 122.926 Ave N Shift Values>> N :: 115.7(5.05) V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.36 C Shift Assignments>> C :: 176.14 CA :: 61.02 CB :: 32.17 CG1 :: 21.74 CG2 :: 22.5 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 :: 8.2739 HA :: 5.05 HB :: 2.159 HG1 :: 1.202 HG2 :: 1.043 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 :: 127.192 Ave N Shift Values>> N :: 121.02(4.96) T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.75 CA :: 60.11 CB :: 70.06 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 :: 8.5275 HA :: 4.583 HB :: 4.357 HG2 :: 1.115 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.594 Ave N Shift Values>> N :: 115.7(5.05) D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 K 0.14 C 0.1 R 0.07 N 0.07 F 0.06 Y 0.04 HN Overlap>> S133 C Shift Assignments>> C :: 176.39 CA :: 53.88 CB :: 41.78 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 :: 8.436 HA :: 4.58 HB2 :: 2.632 HB3 :: 2.632 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 :: 120.465 Ave N Shift Values>> N :: 120.73(4.2) Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.14 K 0.14 W 0.12 E 0.12 C 0.11 R 0.1 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 175.62 CA :: 56.19 CB :: 29.24 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.1618 HA :: 4.382 HB2 :: 2.098 HB3 :: 2.06 HG2 :: 2.419 HG3 :: 2.347 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 :: 122.815 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.18 C 0.16 Y 0.08 F 0.06 L 0.03 E 0.01 HN Overlap>> I55 C Shift Assignments>> C :: 174.66 CA :: 53.17 CB :: 38.71 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 :: 8.7724 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 :: 121.15 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.16 L 0.15 C 0.11 F 0.08 K 0.07 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.43 CA :: 53.91 CB :: 40.71 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 :: 8.336 HA :: 4.5823 HB2 :: 2.665 HB3 :: 2.665 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.286 Ave N Shift Values>> N :: 120.73(4.2) N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.16 D 0.16 Y 0.07 F 0.05 L 0.02 E 0.01 C Shift Assignments>> C :: 174.51 CA :: 52.84 CB :: 38.56 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 :: 8.337 HA :: 4.69 HB2 :: 2.777 HB3 :: 2.68 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.557 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 C 0.15 Q 0.13 R 0.12 W 0.11 K 0.1 E 0.08 M 0.07 L 0.01 HN Overlap>> W4 V132 C Shift Assignments>> CA :: 53.81 CB :: 29.79 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.1983 HA :: 4.5885 HB2 :: 1.86 HB3 :: 1.753 HG2 :: 1.666 HG3 :: 1.666 HD2 :: 3.214 HD3 :: 3.214 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 :: 122.747 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.38 V 0.34 C 0.09 I 0.07 W 0.04 R 0.01 E 0.01 C Shift Assignments>> C :: 176.55 CA :: 62.98 CB :: 31.69 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.406 HB2 :: 2.26 HB3 :: 1.846 HG2 :: 2.011 HG3 :: 2.011 HD2 :: 3.9 HD3 :: 3.708 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) E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.12 Q 0.08 M 0.07 I 0.04 C Shift Assignments>> C :: 175.96 CA :: 56.56 CB :: 29.76 CG :: 35.89 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 :: 8.624 HA :: 4.1606 HB2 :: 1.901 HB3 :: 1.86 HG2 :: 2.2 HG3 :: 2.1 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 :: 121.107 Ave N Shift Values>> N :: 120.68(3.68) F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 C 0.2 D 0.08 I 0.07 L 0.05 N 0.04 E 0.03 HN Overlap>> D140 C Shift Assignments>> C :: 175.35 CA :: 57.14 CB :: 39.18 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 :: 8.1628 HA :: 4.583 HB2 :: 3.21 HB3 :: 3.037 HD1 :: 6.648 HD2 :: 6.648 HE1 :: 7.16 HE2 :: 7.16 HZ :: 7.367 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.135 Ave N Shift Values>> N :: 120.69(4.18) T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.62 CA :: 61.36 CB :: 69.59 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 :: 8.0328 HA :: 4.281 HB :: 4.161 HG2 :: 1.169 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.801 Ave N Shift Values>> N :: 115.7(5.05) Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.25 C 0.24 M 0.08 E 0.08 R 0.06 HN Overlap>> D136 C Shift Assignments>> C :: 175.31 CA :: 55.51 CB :: 29.28 CG :: 33.5 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 :: 8.3196 HA :: 4.315 HB2 :: 2.095 HB3 :: 1.984 HG2 :: 2.345 HG3 :: 2.345 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.321 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.11 M 0.09 Q 0.08 I 0.03 C Shift Assignments>> C :: 175.79 CA :: 56.33 CB :: 29.95 CG :: 35.88 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 :: 8.448 HA :: 4.247 HB2 :: 2.021 HB3 :: 1.908 HG2 :: 2.216 HG3 :: 2.216 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 :: 123.414 Ave N Shift Values>> N :: 120.68(3.68) V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.38 P 0.21 C 0.17 W 0.06 I 0.03 K 0.03 R 0.02 M 0.02 E 0.01 Q 0.01 H 0.01 C Shift Assignments>> C :: 175.33 CA :: 61.76 CB :: 32.7 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 :: 8.1075 HA :: 4.039 HB :: 1.97 HG1 :: 0.865 HG2 :: 0.84 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 :: 121.807 Ave N Shift Values>> N :: 121.02(4.96) F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 C 0.19 D 0.09 I 0.06 L 0.06 N 0.03 E 0.01 K 0.01 C Shift Assignments>> C :: 175.32 CA :: 57.18 CB :: 39.48 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 :: 8.3724 HA :: 4.637 HB2 :: 3.114 HB3 :: 3.02 HD1 :: 7.256 HD2 :: 7.256 HE1 :: 7.336 HE2 :: 7.336 HZ :: 7.288 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 :: 125.174 Ave N Shift Values>> N :: 120.69(4.18) E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.13 W 0.13 Q 0.12 C 0.12 K 0.08 M 0.07 I 0.01 HN Overlap>> I9 K131 C Shift Assignments>> C :: 176.22 CA :: 56.39 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 :: 8.4437 HA :: 4.2303 HB2 :: 1.979 HB3 :: 1.871 HG2 :: 2.186 HG3 :: 2.186 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.389 Ave N Shift Values>> N :: 120.68(3.68) G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 173.66 CA :: 45.04 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.9794 HA2 :: 4.242 HA3 :: 3.909 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.227 Ave N Shift Values>> N :: 109.91(4.29) S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.02 CA :: 57.93 CB :: 63.56 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.1866 HA :: 4.485 HB2 :: 3.84 HB3 :: 3.8 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 :: 116.232 Ave N Shift Values>> N :: 116.3(3.95) V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.37 P 0.25 C 0.15 W 0.06 I 0.04 K 0.02 R 0.02 E 0.01 M 0.01 H 0.01 Q 0.01 HN Overlap>> V129 C Shift Assignments>> C :: 175.64 CA :: 61.97 CB :: 32.47 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 :: 8.1327 HA :: 4.1091 HB :: 2.067 HG1 :: 0.928 HG2 :: 0.928 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.284 Ave N Shift Values>> N :: 121.02(4.96) A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.02 C Shift Assignments>> C :: 177.36 CA :: 52.13 CB :: 18.97 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.3294 HA :: 4.2861 HB :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.164 Ave N Shift Values>> N :: 123.23(3.7) E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.32 K 0.11 M 0.09 Q 0.08 I 0.04 C Shift Assignments>> C :: 176.75 CA :: 56.6 CB :: 29.97 CG :: 35.95 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 :: 8.3361 HA :: 4.247 HB2 :: 2.059 HB3 :: 1.963 HG2 :: 2.277 HG3 :: 2.277 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 :: 121.1 Ave N Shift Values>> N :: 120.68(3.68) G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.35 CA :: 44.87 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.386 HA2 :: 4.223 HA3 :: 3.92 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.757 Ave N Shift Values>> N :: 109.91(4.29) A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.02 C Shift Assignments>> C :: 177.24 CA :: 51.96 CB :: 19.18 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.0369 HA :: 4.35 HB :: 1.35 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.122 Ave N Shift Values>> N :: 123.23(3.7) V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 V 0.39 M 0.17 I 0.01 C Shift Assignments>> CA :: 59.55 CB :: 32.27 CG1 :: 20.87 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 :: 8.1489 HA :: 4.414 HB :: 2.083 HG1 :: 0.973 HG2 :: 0.95 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 :: 121.406 Ave N Shift Values>> N :: 121.02(4.96) P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.41 V 0.36 C 0.08 I 0.06 W 0.03 R 0.01 C Shift Assignments>> C :: 177.19 CA :: 63.26 CB :: 31.82 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 :: 4.416 HB2 :: 2.318 HB3 :: 1.96 HG2 :: 2.081 HG3 :: 2.004 HD2 :: 3.9 HD3 :: 3.708 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) G126 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.32 CA :: 61.52 CB :: 69.62 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 :: 7.9809 HA :: 4.374 HB :: 4.251 HG2 :: 1.203 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 :: 113.617 Ave N Shift Values>> N :: 115.7(5.05) S128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.31 CA :: 58.01 CB :: 63.45 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.3846 HA :: 4.506 HB2 :: 3.861 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 :: 118.921 Ave N Shift Values>> N :: 116.3(3.95) V129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.37 P 0.24 C 0.15 W 0.06 I 0.04 K 0.02 R 0.02 E 0.01 M 0.01 H 0.01 Q 0.01 HN Overlap>> V119 C Shift Assignments>> C :: 175.64 CA :: 61.93 CB :: 32.49 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 :: 8.1805 HA :: 4.132 HB :: 2.086 HG1 :: 0.928 HG2 :: 0.928 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.208 Ave N Shift Values>> N :: 121.02(4.96) M130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.32 Q 0.15 K 0.07 E 0.03 R 0.01 C Shift Assignments>> C :: 175.48 CA :: 55.06 CB :: 32.58 CG :: 31.61 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 :: 8.3658 HA :: 4.48 HB2 :: 2.037 HB3 :: 2.003 HG2 :: 2.589 HG3 :: 2.527 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 :: 124.842 Ave N Shift Values>> N :: 120.1(3.88) K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.18 C 0.17 Q 0.14 R 0.08 H 0.07 W 0.07 E 0.04 V 0.01 HN Overlap>> E116 C Shift Assignments>> C :: 175.95 CA :: 55.71 CB :: 32.89 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 :: 8.3467 HB3 :: 1.779 HG2 :: 1.738 HG3 :: 1.397 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.43 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.38 P 0.22 C 0.16 W 0.05 I 0.03 K 0.03 R 0.02 M 0.02 E 0.01 Q 0.01 H 0.01 HN Overlap>> W4 R107 C Shift Assignments>> C :: 175.78 CA :: 61.83 CB :: 32.74 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 :: 8.2425 HG2 :: 0.927 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.672 Ave N Shift Values>> N :: 121.02(4.96) S133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 C 0.1 E 0.09 Y 0.09 F 0.08 R 0.08 K 0.07 S 0.07 Q 0.06 H 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 HN Overlap>> D102 C Shift Assignments>> C :: 173.84 CA :: 57.65 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.435 HB3 :: 3.838 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.445 Ave N Shift Values>> N :: 116.3(3.95) A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.12 L 0.05 C 0.05 M 0.04 H 0.03 R 0.02 Q 0.02 K 0.01 W 0.01 P 0.01 Y 0.01 F 0.01 C Shift Assignments>> C :: 177.6 CA :: 52.39 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4758 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.23 Ave N Shift Values>> N :: 123.23(3.7) T135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.11 CA :: 61.35 CB :: 69.52 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 :: 8.1616 HA :: 4.376 HB :: 4.263 HG2 :: 1.197 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 :: 113.111 Ave N Shift Values>> N :: 115.7(5.05) D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.16 N 0.13 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.01 HN Overlap>> Q112 C Shift Assignments>> C :: 174.11 CA :: 54.08 CB :: 40.83 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 :: 8.3022 HA :: 4.6024 HB2 :: 2.668 HB3 :: 2.668 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 :: 123.222 Ave N Shift Values>> N :: 120.73(4.2) A137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> C :: 177.22 CA :: 52.34 CB :: 19.21 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.1838 HA :: 4.299 HB :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.73 Ave N Shift Values>> N :: 123.23(3.7) D138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.17 N 0.13 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.75 CA :: 54.09 CB :: 40.88 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 :: 8.2676 HA :: 4.5885 HB2 :: 2.711 HB3 :: 2.627 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.108 Ave N Shift Values>> N :: 120.73(4.2) D139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.17 N 0.13 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.79 CA :: 54.09 CB :: 40.87 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 :: 8.2847 HA :: 4.6137 HB2 :: 2.72 HB3 :: 2.627 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.292 Ave N Shift Values>> N :: 120.73(4.2) D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.17 N 0.12 C 0.11 K 0.09 F 0.08 Y 0.07 R 0.02 HN Overlap>> F110 C Shift Assignments>> C :: 176.23 CA :: 54.07 CB :: 40.94 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 :: 8.166 HA :: 4.5704 HB2 :: 2.658 HB3 :: 2.658 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 :: 121.091 Ave N Shift Values>> N :: 120.73(4.2) V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.36 P 0.31 C 0.12 I 0.05 W 0.05 R 0.02 K 0.01 E 0.01 M 0.01 H 0.01 C Shift Assignments>> C :: 175.86 CA :: 62.33 CB :: 32.13 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 :: 8.0298 HA :: 4.0556 HB :: 2.13 HG1 :: 0.929 HG2 :: 0.929 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 :: 120.44 Ave N Shift Values>> N :: 121.02(4.96) N142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.18 C 0.16 Y 0.07 F 0.06 L 0.03 E 0.01 HN Overlap>> F19 C Shift Assignments>> C :: 175.07 CA :: 53.07 CB :: 38.74 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 :: 8.4661 HA :: 4.728 HB2 :: 2.762 HB3 :: 2.762 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 :: 122.042 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.91 CA :: 61.72 CB :: 69.24 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 :: 7.9852 HA :: 4.25 HB :: 4.154 HG2 :: 1.113 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 :: 114.868 Ave N Shift Values>> N :: 115.7(5.05) Y144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.23 F 0.2 I 0.1 E 0.09 D 0.03 N 0.02 L 0.01 M 0.01 C Shift Assignments>> C :: 175.03 CA :: 57.65 CB :: 38.28 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 :: 8.1735 HA :: 4.542 HB2 :: 3.069 HB3 :: 2.969 HD1 :: 7.121 HD2 :: 7.121 HE1 :: 6.818 HE2 :: 6.818 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 :: 122.906 Ave N Shift Values>> N :: 120.79(4.69) N145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.18 C 0.15 Y 0.06 F 0.05 L 0.03 C Shift Assignments>> C :: 173.15 CA :: 52.76 CB :: 38.81 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 :: 8.2424 HA :: 4.679 HB2 :: 2.738 HB3 :: 2.631 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 :: 121.968 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.28 C 0.03 L 0.02 C Shift Assignments>> CA :: 53.49 CB :: 19.82 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.7617 HA :: 4.07 HB :: 1.316 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.417 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 141 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 140 #Suspicious: 2 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 146 #Suspicious: 0 C Shift Results: #Consistent: 441 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 654 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 N Shift Results: #Consistent: 133 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: Q25 HB2 = 1.117(S), Expected = 2.05, Std = 0.2800, ChiSquare = 8.6180e-04 Q25 HG2 = 0.74(S), Expected = 2.32, Std = 0.2900, ChiSquare = 5.0860e-08 Q25 HG3 = -1.082(M), Expected = 2.32, Std = 0.2900, ChiSquare = 8.8372e-32 I40 HA = 6.086(S), Expected = 4.20, Std = 0.5600, ChiSquare = 7.5755e-04 I55 Typing: Suspicious I55 CG1 = 16.89(S), Expected = 27.65, Std = 2.3200, ChiSquare = 3.5191e-06 L78 Typing: Mistyped L78 CD1 = 13.77(S), Expected = 24.73, Std = 1.7100, ChiSquare = 1.4613e-10 I96 Typing: Suspicious I96 CG1 = 16.74(S), Expected = 27.65, Std = 2.3200, ChiSquare = 2.5689e-06