M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> W 0.11 Y 0.11 E 0.1 F 0.1 R 0.08 S 0.08 K 0.08 Q 0.07 H 0.06 M 0.05 L 0.04 I 0.02 V 0.01 D 0.01 T 0.01 C Shift Assignments>> C :: 179.499 CA :: 57.777 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) A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 L 0.02 HN Overlap>> D87 C Shift Assignments>> C :: 176.978 CA :: 52.162 CB :: 20.191 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.279 HA :: 4.096404 HB :: 1.527047 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.352 Ave N Shift Values>> N :: 123.23(3.7) K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.23 K 0.22 Q 0.2 R 0.08 W 0.08 H 0.07 E 0.05 V 0.03 C Shift Assignments>> C :: 176.235 CA :: 56.372 CB :: 33.184 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.32 M 0.05 G 0.02 C Shift Assignments>> C :: 175.96 CA :: 56.3435 CB :: 33.166 CG :: 24.95684 CD :: 29.41511 CE :: 42.31261 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 :: 8.433 HA :: 4.332462 HB2 :: 1.773577 HB3 :: 1.773577 HG2 :: 1.443718 HG3 :: 1.443718 HD2 :: 1.700626 HD3 :: 1.700626 HE2 :: 3.013347 HE3 :: 3.013347 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.839 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.09 G 0.02 A 0.01 C Shift Assignments>> C :: 176.687 CA :: 54.8535 CB :: 42.289 CG :: 26.95139 CD1 :: 23.76615 CD2 :: 24.969 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 :: 8.367 HA :: 4.390772 HB2 :: 1.566426 HB3 :: 1.612248 HG :: 1.597455 HD1 :: 0.8653957 HD2 :: 0.9251203 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.009 Ave N Shift Values>> N :: 121.98(4.07) L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 A 0.15 G 0.02 C Shift Assignments>> C :: 174.61 CA :: 52.699 CB :: 41.951 CG :: 26.64600 CD1 :: 22.75447 CD2 :: 22.75447 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 :: 8.324 HA :: 4.596334 HB2 :: 1.182477 HB3 :: 1.552201 HG :: 1.603774 HD1 :: 0.772909 HD2 :: 0.772909 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 :: 124.567 Ave N Shift Values>> N :: 121.98(4.07) P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.194 CA :: 66.498 CB :: 32.76 CG :: 27.906 CD :: 50.19 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 :: 4.471601 HB2 :: 2.578794 HB3 :: 1.775081 HG2 :: 1.955222 HG3 :: 2.153491 HD2 :: 3.617219 HD3 :: 3.829965 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) A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.2 I 0.08 V 0.04 T 0.01 L 0.01 C Shift Assignments>> C :: 178.375 CA :: 56.49 CB :: 18.962 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.921 HA :: 3.928651 HB :: 1.610784 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.866 Ave N Shift Values>> N :: 123.23(3.7) F9 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.75 Y 0.2 H 0.04 C Shift Assignments>> C :: 175.047 CD1 :: 133.93 CD2 :: 133.93 CE1 :: 133.93(M) CE2 :: 133.93(M) 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>> HD1 :: 6.884125 HD2 :: 6.884125 HE1 :: 7.770356 HE2 :: 7.770356 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) Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.3 R 0.17 E 0.09 I 0.05 M 0.01 P 0.01 C Shift Assignments>> C :: 178.041 CA :: 58.884 CB :: 27.385 CG :: 33.68642 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 :: 6.275 HA :: 3.480757 HB2 :: 2.023567 HB3 :: 2.023567 HG2 :: 2.019293 HG3 :: 2.019293 HE21 :: 6.874385 HE22 :: 7.399172 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 :: 123.37 NE2 :: 109.28 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.27 D 0.11 N 0.08 I 0.07 E 0.06 L 0.05 M 0.01 C Shift Assignments>> C :: 176.19 CA :: 56.732 CB :: 38.8225 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 :: 7.706 HA :: 4.324762 HB2 :: 2.599853 HB3 :: 2.750945 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 :: 117.794 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 V 0.01 C Shift Assignments>> C :: 178.723 CA :: 55.565 CB :: 18.8625 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.986 HA :: 3.827595 HB :: 1.776932 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.807 Ave N Shift Values>> N :: 123.23(3.7) E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.31 P 0.24 I 0.12 W 0.11 R 0.05 E 0.04 K 0.02 H 0.02 M 0.02 Q 0.01 C Shift Assignments>> C :: 177.941 CA :: 61.705 CB :: 31.304 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.976 HA :: 3.913054 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 :: 114.991 Ave N Shift Values>> N :: 120.68(3.68) R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 F 0.12 Y 0.11 I 0.1 W 0.09 T 0.07 V 0.07 E 0.06 R 0.05 K 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.383 CA :: 59.641 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 :: 7.74 HA :: 3.449456 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 :: 116.63 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 K 0.06 C Shift Assignments>> C :: 177.335 CA :: 57.712 CB :: 41.20 CD1 :: 25.206 CD2 :: 23.056 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 :: 7.943 HA :: 3.852453 HB2 :: 1.029097 HB3 :: 1.394467 HD1 :: 0.7834212 HD2 :: 0.7702662 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 :: 118.221 Ave N Shift Values>> N :: 121.98(4.07) L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.16 G 0.04 C Shift Assignments>> C :: 179.034 CA :: 58.502 CB :: 42.503 CG :: 26.46608 CD1 :: 26.46608 CD2 :: 23.95608 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 :: 8.294793 HA :: 4.04235 HB2 :: 1.588833 HB3 :: 2.226693 HG :: 1.991036 HD1 :: 0.8636099 HD2 :: 1.010077 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 :: 118.58 Ave N Shift Values>> N :: 121.98(4.07) L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.15 G 0.06 HN Overlap>> R99 C Shift Assignments>> C :: 178.876 CA :: 58.469 CB :: 42.820 CG :: 27.006 CD1 :: 25.206 CD2 :: 23.416 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 :: 8.275 HA :: 4.265402 HB2 :: 1.86811 HB3 :: 1.86811 HG :: 1.613318 HD1 :: 0.1462541 HD2 :: 0.3949399 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 :: 119.46 Ave N Shift Values>> N :: 121.98(4.07) A18 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 V 0.02 C Shift Assignments>> C :: 181.359 CA :: 55.8405 CB :: 18.8345 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.365 HA :: 3.830294 HB :: 1.45379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.107 Ave N Shift Values>> N :: 123.23(3.7) H19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 P 0.15 W 0.15 I 0.12 R 0.08 E 0.07 H 0.04 K 0.04 M 0.03 Q 0.02 HN Overlap>> L102 C Shift Assignments>> C :: 179.611 CA :: 61.197 CB :: 31.112 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 :: 8.589 HA :: 4.238986 HB2 :: 3.049929 HB3 :: 3.41431 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 :: 117.18 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 I 0.15 V 0.08 C Shift Assignments>> C :: 177.785 CA :: 59.2725 CG :: 32.94 CE :: 16.93191 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 :: 9.142 HA :: 4.202978 HG2 :: 3.211114 HG3 :: 3.211114 HE :: 2.212279 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 :: 120.263 Ave N Shift Values>> N :: 120.1(3.88) M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 I 0.02 A 0.01 C Shift Assignments>> C :: 175.202 CA :: 59.07 CB :: 33.418 CG :: 32.76 CE :: 16.766 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 :: 7.984 HA :: 3.898573 HG2 :: 3.003908 HG3 :: 3.003908 HE :: 1.994372 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.007 Ave N Shift Values>> N :: 120.1(3.88) R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 K 0.3 G 0.11 C Shift Assignments>> C :: 175.923 CA :: 56.3815 CB :: 32.234 CD :: 43.36 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 :: 7.144 HA :: 4.473684 HB2 :: 1.844129 HB3 :: 2.127055 HD2 :: 3.179117 HD3 :: 3.237928 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 113.549 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.29 CA :: 56.5025 CB :: 63.719 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.63 HA :: 4.214417 HB2 :: 3.80182 HB3 :: 4.020144 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 :: 114.169 Ave N Shift Values>> N :: 116.3(3.95) R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 E 0.16 R 0.15 H 0.11 Q 0.08 K 0.07 V 0.07 M 0.07 I 0.05 C Shift Assignments>> C :: 177.127 CA :: 59.015 CB :: 30.7725 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 :: 8.875 HA :: 2.871917 HB2 :: 1.665919 HB3 :: 1.665919 HG2 :: 1.527229 HG3 :: 1.527229 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 :: 131.6 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 K 0.11 L 0.11 I 0.08 D 0.08 R 0.01 N 0.01 HN Overlap>> E95 C Shift Assignments>> C :: 179.559 CA :: 57.9095 CB :: 40.4895 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 HA :: 4.296156 HB2 :: 2.457818 HB3 :: 2.676858 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 :: 116.854 Ave N Shift Values>> N :: 120.73(4.2) V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.341 CA :: 66.271 CB :: 31.97 CG1 :: 21.83064 CG2 :: 22.88352 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 :: 7.793 HA :: 3.594447 HB :: 2.049613 HG1 :: 0.9326496 HG2 :: 1.10348 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 :: 119.249 Ave N Shift Values>> N :: 121.02(4.96) A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.12 V 0.12 T 0.08 L 0.05 I 0.05 HN Overlap>> L65 C Shift Assignments>> C :: 179.085 CA :: 56.9495 CB :: 20.057 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.907 HA :: 4.243582 HB :: 1.73824 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.823 Ave N Shift Values>> N :: 123.23(3.7) L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.06 A 0.01 C Shift Assignments>> C :: 180.581 CA :: 58.223 CB :: 40.927 CG :: 27.17563 CD1 :: 22.63596 CD2 :: 25.10746 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 :: 8.23 HA :: 4.193088 HB2 :: 1.623326 HB3 :: 1.895301 HG :: 1.861587 HD1 :: 0.8817231 HD2 :: 0.8968244 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.404 Ave N Shift Values>> N :: 121.98(4.07) V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.518 CA :: 66.5125 CB :: 31.8385 CG1 :: 21.22161 CG2 :: 22.73759 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 :: 7.556 HA :: 3.914 HB :: 2.303163 HG1 :: 0.9544232 HG2 :: 1.119861 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 :: 121.544 Ave N Shift Values>> N :: 121.02(4.96) V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.47 CA :: 68.0995 CB :: 32.193 CG1 :: 22.68718 CG2 :: 24.98319 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 :: 8.677 HA :: 3.452649 HB :: 2.45454 HG1 :: 1.589943 HG2 :: 1.213312 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 :: 120.661 Ave N Shift Values>> N :: 121.02(4.96) Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 W 0.19 E 0.13 K 0.1 R 0.09 H 0.08 Q 0.08 V 0.04 M 0.01 P 0.01 C Shift Assignments>> C :: 176.939 CA :: 60.1555 CB :: 29.242 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.187 HA :: 4.231208 HB2 :: 1.937699 HB3 :: 1.937699 HG2 :: 2.174619 HG3 :: 2.174619 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 :: 123.069 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.15 M 0.11 K 0.1 Q 0.07 HN Overlap>> A48 C Shift Assignments>> C :: 178.257 CA :: 58.6915 CB :: 30.2965 CG :: 36.04736 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 :: 7.294 HA :: 4.066493 HB2 :: 2.169353 HB3 :: 2.169353 HG2 :: 2.228393 HG3 :: 2.360006 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 :: 115.585 Ave N Shift Values>> N :: 120.68(3.68) R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.16 G 0.14 C Shift Assignments>> C :: 176.877 CA :: 57.0085 CB :: 30.6125 CG :: 27.52685 CD :: 43.57298 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 :: 8.457 HA :: 4.26431 HB2 :: 1.899843 HB3 :: 1.899843 HG2 :: 1.729216 HG3 :: 1.729216 HD2 :: 3.236374 HD3 :: 3.236374 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 :: 116.005 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.732 CA :: 62.4305 CB :: 39.99417 CG1 :: 28.34348 CG2 :: 17.70526 CD1 :: 14.55169 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 :: 8.99 HA :: 4.048143 HB :: 1.832891 HG2 :: 0.0770036 HG12 :: 1.425426 HG13 :: 1.425426 HD1 :: 0.7087921 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 :: 116.893 Ave N Shift Values>> N :: 121.6(4.72) G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.38 G 0.35 A 0.13 N 0.05 D 0.02 L 0.01 C Shift Assignments>> C :: 176.445 CA :: 48.2065 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.522 HA2 :: 3.867542 HA3 :: 4.054796 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.469 Ave N Shift Values>> N :: 109.91(4.29) G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.834 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.309 HA2 :: 3.946558 HA3 :: 4.920874 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.98 Ave N Shift Values>> N :: 109.91(4.29) R37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable F38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable N39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable I40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.99 C Shift Assignments>> CG2 :: 11.90608(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>> HG2 :: 0.8187319 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) E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.33 W 0.17 V 0.09 E 0.08 R 0.07 P 0.06 K 0.05 H 0.05 Q 0.04 M 0.01 C Shift Assignments>> C :: 178.607 CA :: 61.269 CB :: 29.397 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) E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 E 0.33 K 0.06 Q 0.01 C Shift Assignments>> C :: 177.943 CA :: 60.334 CB :: 28.469 CG :: 36.69228 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 :: 9.884 HA :: 4.182811 HB2 :: 1.904365 HB3 :: 1.969515 HG2 :: 2.338143 HG3 :: 2.338143 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 :: 119.161 Ave N Shift Values>> N :: 120.68(3.68) H43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.65 H 0.34 C Shift Assignments>> C :: 176.682 CA :: 56.3465 CB :: 29.144 CD2 :: 125.13568 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 :: 6.912 HA :: 4.331936 HD2 :: 6.385872 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.94 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.19 V 0.14 E 0.13 R 0.12 I 0.11 H 0.08 K 0.05 Q 0.05 M 0.04 P 0.04 HN Overlap>> L108 C Shift Assignments>> C :: 179.113 CA :: 60.216 CB :: 30.792 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 :: 8.006 HA :: 3.9548 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 :: 119.055 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.43 I 0.02 C Shift Assignments>> C :: 179.762 CA :: 54.95 CB :: 18.609 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.091 HA :: 4.207997 HB :: 1.585152 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.364 Ave N Shift Values>> N :: 123.23(3.7) L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 K 0.39 R 0.13 C Shift Assignments>> C :: 178.416 CA :: 58.2585 CB :: 41.6255 CG :: 27.1291 CD1 :: 26.46608 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 :: 8.08 HA :: 4.184247 HB2 :: 1.694912 HB3 :: 1.911557 HG :: 1.610143 HD1 :: 0.8194243 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.505 Ave N Shift Values>> N :: 121.98(4.07) A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.26 I 0.06 HN Overlap>> E114 C Shift Assignments>> C :: 176.935 CA :: 55.672 CB :: 17.7555 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.432 HA :: 3.264711 HB :: 1.004075 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.098 Ave N Shift Values>> N :: 123.23(3.7) A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.26 I 0.06 HN Overlap>> E32 C Shift Assignments>> C :: 181.858 CA :: 55.672 CB :: 17.8035 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.313 HA :: 4.052405 HB :: 1.444273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.576 Ave N Shift Values>> N :: 123.23(3.7) Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.613 CA :: 61.0295 CB :: 38.639 CD1 :: 133.46 CD2 :: 133.46 CE1 :: 118.36 CE2 :: 118.36 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 :: 7.525 HA :: 4.170281 HB2 :: 2.900934 HB3 :: 3.002586 HD1 :: 7.274617 HD2 :: 7.274617 HE1 :: 6.797715 HE2 :: 6.797715 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 :: 116.93 Ave N Shift Values>> N :: 120.79(4.69) I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 Y 0.25 F 0.22 E 0.04 HN Overlap>> E93 C Shift Assignments>> C :: 178.728 CA :: 60.7695 CB :: 38.2805 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 :: 7.592 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 :: 120.607 Ave N Shift Values>> N :: 121.6(4.72) Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 K 0.23 Y 0.18 L 0.13 R 0.08 I 0.06 D 0.05 C Shift Assignments>> C :: 179.911 CA :: 58.338 CB :: 41.403 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 :: 8.473 HA :: 4.318947 HB2 :: 1.699487 HB3 :: 1.925073 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.071 Ave N Shift Values>> N :: 120.79(4.69) A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.37 I 0.03 HN Overlap>> D96 C Shift Assignments>> C :: 179.224 CA :: 55.247 CB :: 18.413 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.784 HA :: 4.101512 HB :: 1.599897 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.031 Ave N Shift Values>> N :: 123.23(3.7) F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 Y 0.28 C Shift Assignments>> C :: 178.077 CA :: 61.598 CB :: 39.7095 CD1 :: 131.24 CD2 :: 131.24 CE1 :: 131.24 CE2 :: 131.24 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 :: 7.924 HA :: 4.225995 HB2 :: 3.005208 HB3 :: 3.108203 HD1 :: 6.309397 HD2 :: 6.309397 HE1 :: 6.85983 HE2 :: 6.85983 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.24 Ave N Shift Values>> N :: 120.69(4.18) Y54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 180.948(M) CA :: 61.0775 CB :: 37.2905 CD1 :: 133.39 CD2 :: 133.39 CE1 :: 117.58 CE2 :: 117.58 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 :: 7.928 HA :: 4.668138 HB2 :: 3.099436 HB3 :: 3.237274 HD1 :: 7.433425 HD2 :: 7.433425 HE1 :: 6.771269 HE2 :: 6.771269 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 :: 115.905 Ave N Shift Values>> N :: 120.79(4.69) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.36 K 0.09 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.159 CA :: 59.521 CB :: 29.2365 CG :: 36.49771 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 :: 8.827 HA :: 4.19391 HB2 :: 2.226442 HB3 :: 2.358621 HG2 :: 2.402051 HG3 :: 2.521013 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.528 Ave N Shift Values>> N :: 120.68(3.68) E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.13 I 0.13 K 0.07 Q 0.02 C Shift Assignments>> C :: 177.122 CA :: 57.2045 CB :: 30.4445 CG :: 36.81809 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 :: 7.498 HA :: 4.166359 HB2 :: 2.098731 HB3 :: 2.098731 HG2 :: 2.382548 HG3 :: 2.660732 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 :: 116.297 Ave N Shift Values>> N :: 120.68(3.68) G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 174.096 CA :: 45.012 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.793 HA2 :: 3.685148 HA3 :: 4.187457 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.607 Ave N Shift Values>> N :: 109.91(4.29) H58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 175.749 CA :: 56.432 CB :: 30.4175 CD2 :: 121.26176 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 :: 6.489 HA :: 4.370822 HB2 :: 2.864748 HB3 :: 2.864748 HD2 :: 6.892434 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 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.21 K 0.08 Q 0.04 I 0.04 C Shift Assignments>> C :: 176.268 CA :: 55.64 CB :: 30.6335 CG :: 36.50049 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 :: 8.313 HA :: 4.600245 HB2 :: 2.037115 HB3 :: 2.358873 HG2 :: 2.455741 HG3 :: 2.537315 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 :: 119.715 Ave N Shift Values>> N :: 120.68(3.68) A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 L 0.01 I 0.01 V 0.01 HN Overlap>> E91 C Shift Assignments>> C :: 178.707 CA :: 54.7075 CB :: 19.3825 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.938 HA :: 4.530781 HB :: 1.51962 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.671 Ave N Shift Values>> N :: 123.23(3.7) D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.32 L 0.12 F 0.06 Y 0.06 K 0.03 C Shift Assignments>> C :: 178.684 CA :: 52.738 CB :: 40.373 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 :: 8.644 HA :: 4.826639 HB2 :: 3.006614 HB3 :: 3.051933 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 :: 119.769 Ave N Shift Values>> N :: 120.73(4.2) P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.54 P 0.36 I 0.07 C Shift Assignments>> C :: 177.501 CA :: 65.687 CB :: 31.736 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) G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 176.552 CA :: 47.176 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.301 HA2 :: 3.723543 HA3 :: 3.870724 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.188 Ave N Shift Values>> N :: 109.91(4.29) A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 I 0.01 C Shift Assignments>> C :: 180.441 CA :: 54.1865 CB :: 18.585 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.542 HA :: 4.134114 HB :: 1.52974 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.561 Ave N Shift Values>> N :: 123.23(3.7) L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 K 0.01 HN Overlap>> A27 C Shift Assignments>> C :: 178.786 CA :: 58.2745 CB :: 40.7495 CG :: 27.14671 CD1 :: 23.65646 CD2 :: 26.05127 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 :: 7.815 HA :: 3.215776 HB2 :: 1.485088 HB3 :: 1.485088 HG :: 1.014037 HD1 :: 0.3306199 HD2 :: 0.5624923 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 :: 120.815 Ave N Shift Values>> N :: 121.98(4.07) I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> Q92 C Shift Assignments>> C :: 177.37 CA :: 65.52 CB :: 37.745 CG1 :: 31.13 CG2 :: 17.48608 CD1 :: 13.16600 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 :: 8.407 HA :: 3.311445 HB :: 1.782634 HG2 :: 0.8083464 HG12 :: 1.7156 HG13 :: 1.7156 HD1 :: 0.7236258 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.64 Ave N Shift Values>> N :: 121.6(4.72) S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.072 CA :: 60.9235 CB :: 63.3535 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.276 HA :: 4.196358 HB2 :: 3.966938 HB3 :: 3.966938 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.131 Ave N Shift Values>> N :: 116.3(3.95) R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.29 K 0.06 C Shift Assignments>> C :: 176.062 CA :: 56.0005 CB :: 31.568 CG :: 26.8883 CD :: 44.11306 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 :: 7.488 HA :: 4.417844 HB2 :: 1.890536 HB3 :: 2.148846 HG2 :: 1.721178 HG3 :: 1.835642 HD2 :: 3.210737 HD3 :: 3.318177 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 :: 119.02 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.095 CA :: 58.83 CB :: 37.539 CG1 :: 26.25037 CG2 :: 17.18011 CD1 :: 14.01799 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 :: 7.109 HA :: 3.839 HB :: 1.629401 HG2 :: 0.6441428 HG12 :: 1.214433 HG13 :: 1.286763 HD1 :: 0.4382817 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 :: 119.336 Ave N Shift Values>> N :: 121.6(4.72) P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.01 CA :: 63.182 CB :: 32.691 CD :: 50.9122 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 :: 4.328206 HB2 :: 1.933444 HB3 :: 2.020116 HD2 :: 2.786658 HD3 :: 3.099221 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) G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 P 0.35 A 0.13 N 0.05 D 0.02 L 0.01 C Shift Assignments>> C :: 176.657 CA :: 48.1575 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.78 HA2 :: 3.695043 HA3 :: 4.029379 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.574 Ave N Shift Values>> N :: 109.91(4.29) E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.32 K 0.14 Q 0.05 M 0.01 C Shift Assignments>> C :: 177.748 CA :: 59.259 CB :: 28.658 CG :: 36.1545 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 :: 9.406 HA :: 4.193596 HB2 :: 2.071197 HB3 :: 2.071197 HG2 :: 2.315694 HG3 :: 2.3663 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 :: 118.633 Ave N Shift Values>> N :: 120.68(3.68) L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.36 A 0.03 C Shift Assignments>> C :: 176.042 CA :: 54.2495 CB :: 44.72 CD1 :: 23.42978 CD2 :: 26.2184 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 :: 7.775 HA :: 4.683 HB2 :: 1.512737 HB3 :: 1.57859 HG :: 0.941255 HD1 :: 0.99111 HD2 :: 0.9525478 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 :: 118.351 Ave N Shift Values>> N :: 121.98(4.07) Q74 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 K 0.2 P 0.11 V 0.09 Q 0.04 E 0.03 R 0.02 M 0.01 C Shift Assignments>> C :: 175.269 CA :: 61.441(M) CB :: 25.622 CG :: 34.91 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 :: 7.485 HA :: 3.863595 HB2 :: 2.03252 HB3 :: 2.224412 HG2 :: 2.241673 HG3 :: 2.60674 HE21 :: 6.777941 HE22 :: 7.463197 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.054 NE2 :: 112.38 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.58 I 0.2 P 0.19 C Shift Assignments>> C :: 179.592 CA :: 66.902 CB :: 30.645 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) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 L 0.23 R 0.22 I 0.2 C Shift Assignments>> C :: 177.815 CA :: 57.781 CB :: 41.176 CD1 :: 27.00608 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 :: 7.644 HA :: 4.252711 HD1 :: 0.9813125 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 :: 120.05 Ave N Shift Values>> N :: 121.98(4.07) A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.33 I 0.03 V 0.02 L 0.01 T 0.01 C Shift Assignments>> C :: 179.45 CA :: 55.65 CB :: 19.3045 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.104 HA :: 3.785993 HB :: 1.308091 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.518 Ave N Shift Values>> N :: 123.23(3.7) S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.29 CA :: 61.94 CB :: 62.593 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.856 HA :: 4.242041 HB2 :: 3.884348 HB3 :: 3.957865 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.967 Ave N Shift Values>> N :: 116.3(3.95) E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.36 K 0.08 M 0.03 Q 0.02 C Shift Assignments>> C :: 180.03 CA :: 59.8325 CB :: 29.5415 CG :: 36.41204 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 :: 8.05 HA :: 3.946253 HB2 :: 2.050643 HB3 :: 2.221343 HG2 :: 2.050643 HG3 :: 2.050643 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 :: 123.181 Ave N Shift Values>> N :: 120.68(3.68) L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.17 A 0.05 C Shift Assignments>> C :: 179.386 CA :: 57.4095 CB :: 41.0665 CG :: 26.10608 CD1 :: 27.186 CD2 :: 21.976 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 :: 8.388 HA :: 3.991851 HG :: 1.987701 HD1 :: 0.6708798 HD2 :: 0.7590624 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 :: 118.14 Ave N Shift Values>> N :: 121.98(4.07) S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.633 CA :: 61.186 CB :: 62.811 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.137 HA :: 4.268481 HB2 :: 3.914762 HB3 :: 3.999429 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 :: 114.743 Ave N Shift Values>> N :: 116.3(3.95) L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.09 G 0.06 A 0.01 C Shift Assignments>> C :: 177.808 CA :: 54.755 CB :: 42.792 CG :: 26.93996 CD1 :: 23.77865 CD2 :: 24.96636 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 :: 7.116 HA :: 4.396274 HB2 :: 1.758086 HB3 :: 1.599632 HG :: 1.758086 HD1 :: 0.8661081 HD2 :: 0.9281109 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 :: 120.524 Ave N Shift Values>> N :: 121.98(4.07) L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.09 G 0.04 A 0.01 C Shift Assignments>> C :: 176.971 CA :: 56.1425 CB :: 42.5935 CG :: 26.46608 CD1 :: 23.416 CD2 :: 25.20608 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 :: 7.107 HA :: 4.079132 HB2 :: 1.373025 HB3 :: 1.641139 HG :: 1.877236 HD1 :: 0.7970167 HD2 :: 0.8355377 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 :: 120.703 Ave N Shift Values>> N :: 121.98(4.07) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 A 0.02 R 0.01 C Shift Assignments>> C :: 176.226 CA :: 55.0145 CB :: 40.5905 CG :: 26.94758 CD1 :: 23.77608 CD2 :: 24.49 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 :: 8.18 HA :: 4.414 HB2 :: 1.576434 HB3 :: 1.638495 HD1 :: 0.8334604 HD2 :: 0.8334604 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 :: 123.595 Ave N Shift Values>> N :: 121.98(4.07) I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> I137 C Shift Assignments>> C :: 175.311 CA :: 59.9255 CB :: 40.449 CG1 :: 25.04279 CG2 :: 18.39605 CD1 :: 12.78071 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 :: 7.855 HA :: 4.455631 HB :: 1.735362 HG2 :: 0.6799814 HG12 :: 0.8981816 HG13 :: 1.185057 HD1 :: 0.252754 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 :: 120.528 Ave N Shift Values>> N :: 121.6(4.72) A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 L 0.02 C Shift Assignments>> C :: 176.992 CA :: 52.1415 CB :: 20.1655 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.425 HA :: 4.436972 HB :: 1.574257 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.129 Ave N Shift Values>> N :: 123.23(3.7) D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.21 D 0.2 F 0.11 Y 0.09 R 0.08 N 0.03 HN Overlap>> A2 C Shift Assignments>> C :: 176.036 CA :: 55.5665 CB :: 41.579 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 :: 8.305 HA :: 4.594509 HB2 :: 2.65969 HB3 :: 2.776567 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.32 Ave N Shift Values>> N :: 120.73(4.2) D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.13 N 0.09 R 0.07 F 0.06 Y 0.04 C Shift Assignments>> C :: 174.974 CA :: 53.38 CB :: 41.802 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 :: 8.082 HA :: 4.803518 HB2 :: 2.637045 HB3 :: 2.652751 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 :: 117.819 Ave N Shift Values>> N :: 120.73(4.2) V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> E135 C Shift Assignments>> C :: 174.219 CA :: 60.7935 CB :: 33.3315 CG1 :: 20.13884 CG2 :: 21.40097 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 :: 8.03 HA :: 4.27133 HB :: 1.674579 HG1 :: 0.6666865 HG2 :: 0.7903417 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 :: 120.794 Ave N Shift Values>> N :: 121.02(4.96) S90 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 :: 174.736 CA :: 57.532 CB :: 65.439 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.702 HA :: 4.575263 HB2 :: 4.048746 HB3 :: 4.367572 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 :: 123.806 Ave N Shift Values>> N :: 116.3(3.95) E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 E 0.44 K 0.06 M 0.02 Q 0.01 HN Overlap>> A60 C Shift Assignments>> C :: 178.71 CA :: 60.1905 CB :: 29.5025 CG :: 36.5593 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 :: 8.974 HA :: 3.943336 HB2 :: 2.066756 HB3 :: 2.106033 HG2 :: 2.306826 HG3 :: 2.400594 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 :: 121.748 Ave N Shift Values>> N :: 120.68(3.68) Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.31 E 0.19 R 0.07 I 0.06 M 0.02 HN Overlap>> I66 C Shift Assignments>> C :: 178.077 CA :: 59.0215 CB :: 28.34 CG :: 34.18982 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 :: 8.368 HA :: 3.98166 HB2 :: 1.960077 HB3 :: 2.104148 HG2 :: 2.406583 HG3 :: 2.432767 HE21 :: 6.886482 HE22 :: 7.645037 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 :: 117.564 NE2 :: 113.50 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.36 K 0.05 M 0.03 HN Overlap>> I50 C Shift Assignments>> C :: 177.75 CA :: 58.961 CB :: 29.8115 CG :: 37.19031 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 :: 7.641 HA :: 3.806454 HB2 :: 2.166543 HB3 :: 2.166543 HG2 :: 2.15507 HG3 :: 2.15507 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 :: 120.618 Ave N Shift Values>> N :: 120.68(3.68) L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.04 G 0.01 C Shift Assignments>> C :: 178.699 CA :: 58.461 CB :: 41.759 CG :: 26.67622 CD1 :: 23.83353 CD2 :: 24.48608 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 :: 7.936 HA :: 3.890394 HB2 :: 1.674906 HB3 :: 1.674906 HG :: 1.661422 HD1 :: 0.8250204 HD2 :: 0.8070778 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.65 Ave N Shift Values>> N :: 121.98(4.07) E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.22 K 0.18 Q 0.11 M 0.02 R 0.01 HN Overlap>> D25 C Shift Assignments>> C :: 178.88 CA :: 59.342 CB :: 29 CG :: 35.630 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.056 HA :: 3.903115 HB2 :: 2.053287 HB3 :: 2.140903 HG2 :: 2.329604 HG3 :: 2.388141 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 :: 116.875 Ave N Shift Values>> N :: 120.68(3.68) D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 L 0.12 K 0.12 D 0.1 I 0.07 N 0.01 R 0.01 HN Overlap>> A52 C Shift Assignments>> C :: 178.929 CA :: 57.5765 CB :: 40.491 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 :: 7.798 HA :: 4.392841 HB2 :: 2.590086 HB3 :: 2.71625 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 :: 120.034 Ave N Shift Values>> N :: 120.73(4.2) Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 H 0.01 HN Overlap>> A130 C Shift Assignments>> C :: 178.458 CA :: 59.318 CB :: 37.2105 CD1 :: 131.06 CD2 :: 131.06 CE1 :: 118.48 CE2 :: 118.48 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 :: 8.02 HA :: 4.702325 HB2 :: 3.063892 HB3 :: 3.338933 HD1 :: 7.032607 HD2 :: 7.032607 HE1 :: 6.77492 HE2 :: 6.77492 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 :: 118.431 Ave N Shift Values>> N :: 120.79(4.69) I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.53 CA :: 66.309 CB :: 38.14513 CG2 :: 17.02322 CD1 :: 13.76666 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 :: 8.608 HA :: 3.523443 HB :: 1.9831 HG2 :: 0.8316135 HD1 :: 0.7359899 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.72 Ave N Shift Values>> N :: 121.6(4.72) R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 G 0.22 K 0.1 I 0.07 L 0.01 HN Overlap>> L17 C Shift Assignments>> C :: 178.721 CA :: 60.1185 CB :: 29.9905 CD :: 43.58943 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 :: 8.354 HA :: 3.959033 HB2 :: 2.033682 HB3 :: 2.033682 HD2 :: 3.242377 HD3 :: 3.242377 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 :: 119.388 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.64 H 0.35 C Shift Assignments>> C :: 179.11 CA :: 60.204 CB :: 31.5545 CD2 :: 119.74 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.835 HA :: 4.549299 HB2 :: 2.990963 HB3 :: 3.474967 HD2 :: 7.120412 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.305 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 181.309 CA :: 67.73 CB :: 32.095 CG1 :: 21.76387 CG2 :: 24.16468 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 :: 7.887 HA :: 3.694432 HB :: 2.253248 HG1 :: 0.9348881 HG2 :: 1.31969 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 :: 118.435 Ave N Shift Values>> N :: 121.02(4.96) L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 HN Overlap>> H19 C Shift Assignments>> CG :: 27.18608 CD1 :: 25.926 CD2 :: 24.66608 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 :: 8.505 HA :: 4.33129 HG :: 1.771052 HD1 :: 0.8795345 HD2 :: 1.040919 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.128 Ave N Shift Values>> N :: 121.98(4.07) N103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable R104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable K106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 178.767 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) W107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.97 H 0.01 C Shift Assignments>> C :: 179.966 CA :: 60.61 CB :: 35.81 CD1 :: 127.71 CE3 :: 121.00 CZ2 :: 115.13 CZ3 :: 122.08 CH2 :: 124.83 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 :: 8.181 HA :: 4.424797 HB2 :: 3.418636 HB3 :: 3.477046 HD1 :: 7.307136 HE1 :: 10.44449 HE3 :: 7.727681 HZ2 :: 7.542607 HZ3 :: 7.160811 HH2 :: 7.253505 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 :: 120.795 NE1 :: 128.9946 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 K 0.01 A 0.01 HN Overlap>> R44 C Shift Assignments>> C :: 179.79 CA :: 57.67 CB :: 41.391 CD1 :: 22.696 CD2 :: 24.48608 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 :: 8.097 HA :: 4.154226 HD1 :: 0.922713 HD2 :: 0.922713 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 :: 119.099 Ave N Shift Values>> N :: 121.98(4.07) M109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.03 C Shift Assignments>> C :: 178.678 CA :: 58.0975 CB :: 32.208 CG :: 32.216 CE :: 16.946 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 :: 7.847 HA :: 4.334819 HB2 :: 2.144868 HB3 :: 2.305372 HG2 :: 2.667102 HG3 :: 2.741123 HE :: 2.126363 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 :: 119.053 Ave N Shift Values>> N :: 120.1(3.88) L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.2 K 0.02 G 0.01 C Shift Assignments>> C :: 178.509 CA :: 58.5945 CB :: 41.78 CG :: 27.27735 CD1 :: 25.38608 CD2 :: 25.92608 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 :: 7.989 HA :: 4.041884 HB2 :: 1.790565 HB3 :: 1.914563 HG :: 1.761996 HD1 :: 0.8995501 HD2 :: 0.9760883 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 :: 121.459 Ave N Shift Values>> N :: 121.98(4.07) K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.4 M 0.02 G 0.01 C Shift Assignments>> C :: 179.668 CA :: 58.7315 CB :: 31.7725 CG :: 25.05777 CD :: 28.76603 CE :: 42.28841 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 :: 7.62 HA :: 4.195272 HB2 :: 2.047841 HB3 :: 2.047841 HG2 :: 1.49031 HG3 :: 1.56449 HD2 :: 1.729267 HD3 :: 1.729267 HE2 :: 3.0128 HE3 :: 3.0128 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 :: 118.746 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> R131 C Shift Assignments>> C :: 179.124 CA :: 66.6735 CB :: 31.731 CG1 :: 21.34929 CG2 :: 22.67476 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 :: 7.718 HA :: 3.819714 HB :: 2.336739 HG1 :: 1.004889 HG2 :: 1.156077 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 :: 121.185 Ave N Shift Values>> N :: 121.02(4.96) K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.39 M 0.02 G 0.01 HN Overlap>> D125 C Shift Assignments>> C :: 178.005 CA :: 58.6645 CB :: 31.9285 CG :: 24.99287 CD :: 28.80023 CE :: 42.2963 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 :: 8.191 HA :: 4.195272 HB2 :: 2.048662 HB3 :: 2.048662 HG2 :: 1.440035 HG3 :: 1.440035 HD2 :: 1.716133 HD3 :: 1.716133 HE2 :: 3.01239 HE3 :: 3.01239 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 :: 120.101 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.39 K 0.07 M 0.03 Q 0.02 HN Overlap>> A47 C Shift Assignments>> C :: 179.508 CA :: 60.0835 CB :: 29.6675 CG :: 36.44183 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 :: 8.418 HA :: 3.947 HB2 :: 2.249736 HB3 :: 2.249736 HG2 :: 2.303105 HG3 :: 2.401308 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 :: 120.068 Ave N Shift Values>> N :: 120.68(3.68) Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.32 E 0.15 R 0.1 I 0.05 M 0.02 P 0.01 C Shift Assignments>> C :: 178.676 CA :: 59.0005 CB :: 28.143 CG :: 33.95795 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 :: 7.753 HA :: 4.19319 HB2 :: 2.309799 HB3 :: 2.376685 HG2 :: 2.500585 HG3 :: 2.594226 HE21 :: 6.891301 HE22 :: 7.675243 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.682 NE2 :: 111.97 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.32 K 0.07 M 0.05 Q 0.02 C Shift Assignments>> C :: 180.128 CA :: 59.7085 CB :: 30.006 CG :: 36.42855 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 :: 8.461 HA :: 4.109744 HB2 :: 2.069962 HB3 :: 2.191239 HG2 :: 2.394734 HG3 :: 2.597825 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 :: 121.628 Ave N Shift Values>> N :: 120.68(3.68) K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 P 0.14 W 0.13 R 0.07 K 0.07 I 0.06 E 0.06 M 0.05 H 0.03 Q 0.02 C Shift Assignments>> C :: 177.686 CA :: 60.949 CB :: 32.117 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 :: 9.033 HA :: 3.834093 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.103 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.107 CA :: 66.657 CB :: 68.61 CG2 :: 21.91373 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 :: 8.234 HA :: 4.080557 HB :: 4.398613 HG2 :: 1.331696 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 :: 116.493 Ave N Shift Values>> N :: 115.7(5.05) E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.32 K 0.12 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.677 CA :: 59.4265 CB :: 29.066 CG :: 36.20506 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 :: 8.351 HA :: 4.110165 HB2 :: 2.0677 HB3 :: 2.150544 HG2 :: 2.360344 HG3 :: 2.360344 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.121 Ave N Shift Values>> N :: 120.68(3.68) A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.2 I 0.06 C Shift Assignments>> C :: 179.767 CA :: 55.5055 CB :: 16.713 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.077 HA :: 4.101955 HB :: 1.589723 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.225 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>> W 0.19 I 0.16 E 0.14 R 0.11 K 0.09 H 0.09 Q 0.09 V 0.05 M 0.02 P 0.01 C Shift Assignments>> C :: 181.051 CA :: 59.875 CB :: 29.522 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 :: 8.393 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 :: 118.012 Ave N Shift Values>> N :: 120.68(3.68) R122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.18 K 0.08 C Shift Assignments>> C :: 178.13 CA :: 59.715 CB :: 30.021 CG :: 27.5852 CD :: 43.53882 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 :: 8.41 HA :: 4.08313 HB2 :: 2.022807 HB3 :: 2.022807 HG2 :: 1.728629 HG3 :: 1.885425 HD2 :: 3.234725 HD3 :: 3.234725 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 :: 122.559 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.35 K 0.14 G 0.07 I 0.01 C Shift Assignments>> C :: 175.045 CA :: 55.942 CG :: 27.726 CD :: 43.36 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 :: 7.475 HA :: 4.432622 HG2 :: 1.722398 HG3 :: 1.893098 HD2 :: 3.265941 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 :: 115.651 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.32 M 0.05 G 0.01 C Shift Assignments>> C :: 175.624 CA :: 57.199 CB :: 32.653 CG :: 24.9424 CD :: 29.41156 CE :: 42.2437 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 :: 7.789 HA :: 3.061371 HB2 :: 1.768999 HB3 :: 1.433645 HG2 :: 1.443616 HG3 :: 1.443616 HD2 :: 1.705306 HD3 :: 1.705306 HE2 :: 3.011312 HE3 :: 3.011312 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 :: 115.283 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.29 L 0.2 K 0.13 F 0.11 N 0.1 Y 0.1 R 0.02 HN Overlap>> K113 C Shift Assignments>> C :: 176.089 CA :: 54.7635 CB :: 40.926 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 :: 8.178 HA :: 4.213138 HB2 :: 1.578314(S) HB3 :: 1.578314(S) 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 :: 120.073 Ave N Shift Values>> N :: 120.73(4.2) F126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.33 I 0.15 D 0.05 L 0.04 E 0.03 N 0.01 K 0.01 C Shift Assignments>> C :: 175.726 CA :: 58.138 CB :: 39.317 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 :: 7.976 HA :: 4.616858 HB2 :: 3.094192 HB3 :: 3.20594 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 :: 119.324 Ave N Shift Values>> N :: 120.69(4.18) L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.1 G 0.03 A 0.01 C Shift Assignments>> C :: 177.375 CA :: 55.487 CB :: 42.4285 CG :: 26.92056 CD1 :: 23.65854 CD2 :: 24.98259 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 :: 8.119 HA :: 4.406 HB2 :: 1.594413 HB3 :: 1.594413 HG :: 1.607166 HD1 :: 0.8915425 HD2 :: 0.927372 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 :: 122.489 Ave N Shift Values>> N :: 121.98(4.07) T128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.353 CA :: 61.678 CB :: 69.8105 CG2 :: 21.62391 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 :: 8.02 HA :: 4.365012 HB :: 4.290514 HG2 :: 1.233385 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 :: 114.455 Ave N Shift Values>> N :: 115.7(5.05) A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.38 L 0.02 V 0.02 I 0.02 T 0.01 C Shift Assignments>> C :: 180.462 CA :: 55.303 CB :: 19.623 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.93 HA :: 4.362881 HB :: 1.376416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.028 Ave N Shift Values>> N :: 123.23(3.7) A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.42 I 0.03 HN Overlap>> Y97 C Shift Assignments>> C :: 180.591 CA :: 54.9105 CB :: 18.3015 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.002 HA :: 4.262053 HB :: 1.582647 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.446 Ave N Shift Values>> N :: 123.23(3.7) R131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.21 K 0.06 L 0.01 HN Overlap>> V112 C Shift Assignments>> C :: 179.401 CA :: 59.7665 CB :: 29.6015 CG :: 27.65273 CD :: 43.61161 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 :: 7.747 HA :: 4.13969 HB2 :: 2.024859 HB3 :: 2.135428 HG2 :: 1.637336 HG3 :: 1.637336 HD2 :: 3.234315 HD3 :: 3.234315 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.194 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.42 CA :: 65.044 CB :: 38.3475 CG1 :: 28.62608 CG2 :: 20.08234 CD1 :: 14.25427 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 :: 8.452 HA :: 3.820369 HB :: 1.684412 HG2 :: 1.048588 HG12 :: 1.087596 HG13 :: 1.087596 HD1 :: 0.7432474 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 :: 120.553 Ave N Shift Values>> N :: 121.6(4.72) A133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.27 I 0.06 V 0.01 C Shift Assignments>> C :: 180.584 CA :: 55.778 CB :: 18.0675 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.561 HA :: 4.126852 HB :: 1.579955 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.169 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>> K 0.58 R 0.36 M 0.02 G 0.02 C Shift Assignments>> C :: 179.297 CA :: 59.844 CB :: 32.238 CG :: 25.42606 CD :: 29.6269 CE :: 42.30039 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 :: 7.631 HA :: 4.115049 HB2 :: 2.058204 HB3 :: 2.058283 HG2 :: 1.448022 HG3 :: 1.662059 HD2 :: 1.74795 HD3 :: 1.74795 HE2 :: 3.015365 HE3 :: 3.015365 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 :: 117.897 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.34 K 0.08 M 0.04 Q 0.02 HN Overlap>> V89 C Shift Assignments>> C :: 180.338 CA :: 59.5725 CB :: 29.7345 CG :: 36.52837 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 :: 8.03 HA :: 4.108028 HB2 :: 2.06345 HB3 :: 2.06345 HG2 :: 2.392292 HG3 :: 2.392292 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 :: 120.797 Ave N Shift Values>> N :: 120.68(3.68) M136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 M 0.11 C Shift Assignments>> C :: 177.999 CA :: 60.116 CB :: 36.54702 CG :: 29.77583 CE :: 16.406 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 :: 8.784 HA :: 3.943992 HB2 :: 2.323042 HB3 :: 2.390977 HG2 :: 2.068209 HG3 :: 2.107103 HE :: 2.184144 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.337 Ave N Shift Values>> N :: 120.1(3.88) I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> I85 C Shift Assignments>> C :: 178.969 CA :: 65.393 CB :: 38.055 CG1 :: 29.52835 CG2 :: 17.27256 CD1 :: 13.23281 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 :: 7.826 HA :: 3.716668 HB :: 2.099672 HG2 :: 0.9891185 HG12 :: 1.2795 HG13 :: 1.85182 HD1 :: 0.9390596 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 :: 120.466 Ave N Shift Values>> N :: 121.6(4.72) E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.29 K 0.13 Q 0.05 M 0.02 C Shift Assignments>> C :: 179.447 CA :: 59.1105 CB :: 29.0285 CG :: 36.24627 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 :: 7.672 HA :: 4.083951 HB2 :: 2.138746 HB3 :: 2.138746 HG2 :: 2.414228 HG3 :: 2.414228 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 :: 119.173 Ave N Shift Values>> N :: 120.68(3.68) M139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.95 I 0.03 C Shift Assignments>> C :: 178.622 CA :: 59.236 CB :: 33.54 CG :: 32.576 CE :: 16.94608 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 :: 8.243 HA :: 4.110729 HB2 :: 2.037362 HB3 :: 2.212972 HG2 :: 2.472484 HG3 :: 2.755725 HE :: 2.12246 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 :: 119.22 Ave N Shift Values>> N :: 120.1(3.88) K140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.39 G 0.05 M 0.02 C Shift Assignments>> C :: 179.187 CA :: 60.141 CB :: 32.333 CG :: 25.40576 CD :: 29.6649 CE :: 42.64601 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 :: 8.436 HA :: 3.804521 HB2 :: 1.967911 HB3 :: 2.059482 HG2 :: 1.497134 HG3 :: 1.666642 HD2 :: 1.723823 HD3 :: 1.723823 HE2 :: 3.126997 HE3 :: 3.126997 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 :: 118.825 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.36 M 0.02 G 0.02 HN Overlap>> L143 C Shift Assignments>> C :: 179.007 CA :: 59.4725 CB :: 32.4075 CG :: 25.40568 CD :: 29.6238 CE :: 42.31852 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 :: 7.796 HA :: 4.12417 HB2 :: 2.058512 HB3 :: 2.058512 HG2 :: 1.502314 HG3 :: 1.662986 HD2 :: 1.714492 HD3 :: 1.714492 HE2 :: 3.017314 HE3 :: 3.017314 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 :: 119.868 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 A 0.03 C Shift Assignments>> C :: 178.079 CA :: 58.3545 CB :: 32.2495 CG :: 32.03600 CE :: 17.43726 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 :: 7.632 HA :: 4.334616 HB2 :: 2.203027 HB3 :: 2.203027 HG2 :: 2.621154 HG3 :: 2.769887 HE :: 2.050609 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 :: 117.536 Ave N Shift Values>> N :: 120.1(3.88) L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.06 A 0.03 G 0.02 HN Overlap>> K141 C Shift Assignments>> C :: 177.725 CA :: 56.294 CB :: 42.217 CG :: 26.49997 CD1 :: 22.72973 CD2 :: 24.63005 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 :: 7.765 HA :: 4.139047 HB2 :: 1.289605 HB3 :: 1.533607 HG :: 1.474919 HD1 :: 0.4184409 HD2 :: 0.0363562 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 :: 119.807 Ave N Shift Values>> N :: 121.98(4.07) S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.418 CA :: 58.8875 CB :: 63.796 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.85 HA :: 4.599562 HB2 :: 4.043013 HB3 :: 4.043013 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 :: 114.15 Ave N Shift Values>> N :: 116.3(3.95) S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.843 CA :: 58.645 CB :: 63.953 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.043 HA :: 4.610394 HB2 :: 3.9794 HB3 :: 3.9794 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 :: 117.312 Ave N Shift Values>> N :: 116.3(3.95) S146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 141 #Clerical: 0 #Suspicious: 2 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 138 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 146 #Suspicious: 0 C Shift Results: #Consistent: 576 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 4 H Shift Results: #Consistent: 716 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 134 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: F9 CE1 = 133.93(M), Expected = 130.48, Std = 1.2900, ChiSquare = 7.4859e-03 F9 CE2 = 133.93(M), Expected = 130.60, Std = 0.9700, ChiSquare = 5.9696e-04 I40 CG2 = 11.90608(S), Expected = 17.36, Std = 1.6000, ChiSquare = 6.5273e-04 Y54 C = 180.948(M), Expected = 175.39, Std = 1.8900, ChiSquare = 3.2743e-03 Q74 CA = 61.441(M), Expected = 56.62, Std = 2.1900, ChiSquare = 2.7710e-02 D125 HB2 = 1.578314(S), Expected = 2.74, Std = 0.2900, ChiSquare = 6.1804e-05 D125 HB3 = 1.578314(S), Expected = 2.70, Std = 0.2900, ChiSquare = 1.0978e-04